#DEFINITION	Reference Metabolome for Allium macrostemon
#IDENTTFIER	RefMeta-Allium macrostemon.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Allium macrostemon
#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 Allium macrostemon 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	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	9.5
55.01866	19.3
55.05515	22.8
56.96584	5.1
57.03444	29.8
58.99584	10.1
60.53172	3.2
61.01149	4.4
61.47501	3.2
66.41737	3.4
67.05511	46.8
69.03433	12.4
69.07076	34.0
70.21931	3.3
71.04990	8.7
71.55309	4.9
73.01142	12.4
79.05501	56.9
81.03416	15.6
81.07063	52.6
83.04973	8.1
83.08618	13.3
84.04510	10.3
84.08176	3.7
85.02913	5.7
85.06545	14.5
91.05488	54.1
93.07047	42.3
95.04971	34.5
95.08612	29.4
97.02934	4.3
97.06535	14.0
97.10185	5.8
98.98466	6.6
99.04457	6.7
99.08145	4.1
101.04292	5.2
103.05408	5.1
104.98341	7.0
105.07047	35.8
107.04970	19.9
107.08595	32.7
109.02854	4.5
109.06532	87.0
109.10168	15.8
111.02678	7.7
111.08104	6.4
112.03481	8.2
113.04238	52.0
113.06012	13.4
115.03819	5.9
116.01672	7.0
116.06277	4.2
117.07015	23.9
119.04984	4.3
119.08575	25.5
121.06496	11.2
121.10156	22.3
123.08063	11.5
123.11795	4.8
125.09629	5.2
127.03941	6.7
129.01793	4.0
129.03687	10.3
129.07010	13.4
130.04408	4.2
131.08577	36.5
133.06543	6.0
133.10143	16.6
135.08057	74.4
135.11714	11.5
142.99893	5.5
143.08554	17.5
144.90758	3.9
145.10123	22.2
147.02866	3.9
147.08069	11.6
147.11702	9.0
149.09651	15.7
149.13260	7.9
151.07576	9.9
157.10159	14.8
159.08069	6.4
159.11717	15.1
161.09648	17.2
161.13219	4.4
163.11200	14.5
165.09129	4.9
166.60478	3.8
169.10181	3.7
173.13261	5.1
175.11131	4.6
183.11729	7.0
185.13306	5.1
195.11723	5.3
199.14879	10.1
201.12775	6.6
201.14508	3.7
207.13788	9.6
217.15933	31.6
219.13782	5.1
233.15276	4.2
237.16423	3.9
245.19043	6.4
255.17583	9.7
263.07266	4.2
273.18533	49.5
283.40854	3.9
291.06369	5.5
291.13193	4.5
291.19559	100.0
291.26657	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	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
51.92087	1.1
53.03931	1.6
55.05512	8.8
57.03445	1.4
57.07063	2.7
59.04993	2.7
67.05498	4.8
69.03416	2.9
69.07055	1.7
70.51848	4.0
71.04983	2.8
73.01157	1.5
79.05499	7.2
81.07056	7.4
81.23411	1.3
83.04992	1.4
83.08607	7.2
85.06529	3.1
91.05482	7.0
93.07051	11.4
94.21323	1.0
95.04987	5.8
95.08057	1.3
95.08615	16.1
95.22906	1.1
95.88691	1.2
97.06535	3.3
101.47300	1.0
103.29538	1.1
105.07042	12.6
107.04964	11.1
107.08614	7.7
108.05685	1.8
109.06516	5.7
109.10157	3.3
111.08089	40.6
113.09652	1.3
117.07009	1.6
119.08606	9.9
121.06521	2.1
121.10162	6.2
122.07287	2.6
123.08076	34.6
125.09680	1.3
131.08560	4.8
133.06514	3.9
133.10156	8.0
134.36823	1.2
135.08080	6.6
135.11703	3.3
137.09610	2.6
143.08609	1.4
145.10088	5.9
147.08073	3.5
147.11684	4.3
149.09625	6.1
151.07550	100.0
155.10638	2.1
156.09332	2.2
157.10149	5.1
159.08078	1.6
159.11713	1.4
161.09651	3.3
162.38135	1.2
163.11169	3.4
171.11771	3.1
173.09572	2.1
173.13295	5.2
174.10452	2.1
175.11191	4.0
177.09091	3.2
179.10686	4.8
189.12744	28.7
191.14317	9.0
192.11429	5.9
197.11757	14.5
197.13396	2.4
207.13818	65.0
211.13258	1.2
213.16438	2.5
215.14330	1.7
217.12186	3.4
231.17465	1.9
233.15369	29.3
235.13231	1.9
240.24710	1.2
249.18448	2.7
255.17476	2.3
273.18536	6.3
279.73782	1.5
291.19574	51.1
291.22873	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01877	1.2
55.05521	4.9
57.03434	1.2
57.07067	2.8
59.04997	2.5
65.03927	0.7
65.35884	0.9
67.05502	5.9
69.03426	2.0
69.07061	2.3
69.33311	1.7
69.33710	4.9
70.06600	0.9
71.04981	2.9
73.01167	0.7
79.05494	4.9
81.07058	6.6
83.04967	2.9
83.08610	3.7
85.06549	3.1
88.07625	1.5
91.05463	5.0
93.07052	9.6
95.05000	4.5
95.05526	0.9
95.08608	13.7
97.06532	3.8
102.09168	1.0
105.07026	8.6
107.04973	4.2
107.08605	6.9
108.05703	1.5
109.06541	8.2
109.10131	2.9
111.04456	1.5
111.08082	25.0
117.07007	2.1
117.11134	0.9
119.08568	9.1
121.06515	1.8
121.10155	6.5
122.07294	1.6
123.08072	33.3
123.11723	0.9
125.09628	1.0
129.07024	1.1
130.07835	0.8
131.08580	5.4
133.06482	3.0
133.10127	6.9
135.08026	6.0
135.11684	3.0
137.09647	4.4
142.07788	1.3
143.08563	2.5
144.09396	0.9
145.10138	13.5
147.08070	3.7
147.11693	7.1
149.09656	4.3
151.07545	100.0
153.09181	0.9
155.10707	2.0
156.09283	1.6
157.10107	4.7
159.08054	1.9
159.11694	2.7
161.09599	4.6
161.13342	1.7
163.11182	3.3
167.08638	0.8
169.10129	0.8
171.11710	3.7
173.09657	1.4
173.13258	4.6
174.10379	1.5
175.11165	4.2
177.09093	2.4
177.12802	1.2
179.10626	3.8
181.12263	1.1
187.11206	4.8
187.14804	1.3
189.12750	27.8
191.10632	1.3
191.14310	4.3
192.11440	4.7
197.11719	15.6
197.13280	2.3
203.14279	2.5
207.13808	67.4
211.14861	1.2
213.16406	2.1
215.14297	6.2
217.12253	2.9
229.23573	2.8
231.17383	1.7
233.15388	17.9
235.13364	1.1
237.16293	0.8
255.17424	4.0
273.18558	8.1
291.19550	46.1
291.27066	8.3
292.19830	0.7
302.45984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1341
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
51.91141	0.9
53.03933	1.9
55.01874	4.5
55.05507	1.3
57.03432	1.4
58.06628	0.9
58.99587	1.6
60.04513	0.8
61.01133	1.5
65.03936	4.3
67.05490	2.4
68.05027	2.1
69.03401	0.8
69.07062	2.6
70.06592	7.6
71.55823	1.0
72.08161	0.9
73.01150	9.1
74.00684	1.3
75.02715	1.3
78.58529	0.7
78.89076	0.7
79.05474	1.7
80.05011	3.3
81.03409	1.4
81.05800	1.0
81.07050	2.0
82.06573	0.9
83.04977	3.5
84.04520	5.3
84.08160	5.0
85.02920	0.8
86.09671	2.5
89.00643	1.8
91.05475	1.6
93.03392	2.5
93.05745	1.1
93.07022	1.4
94.06564	3.2
95.04967	2.3
96.04524	4.7
96.08129	2.9
97.02888	0.9
98.06071	0.9
104.98320	5.8
105.07008	1.5
107.04878	0.9
108.04481	3.1
109.02873	2.3
109.05240	2.5
110.06036	1.5
110.07164	2.3
111.04376	1.7
112.03987	4.4
114.05486	1.3
116.01655	1.2
116.07083	2.4
120.08089	3.8
121.06489	2.3
122.06020	4.4
123.06837	1.2
124.07605	10.6
125.07114	1.5
127.03915	1.9
129.07004	0.9
129.10236	1.6
130.05031	8.4
130.06516	1.5
131.08534	1.2
133.10182	1.1
136.03949	5.9
137.00903	1.0
137.02335	6.5
138.09145	18.0
140.01665	4.2
140.07057	4.6
142.03192	1.4
142.04994	1.4
143.04570	1.4
144.08128	1.4
145.10092	1.1
146.06058	0.9
147.04491	0.9
150.05527	1.1
154.05006	17.9
157.08835	1.5
157.10080	1.1
158.05957	1.1
160.07581	1.6
160.11209	1.3
161.07053	1.1
162.05505	1.3
163.02496	3.7
164.07080	1.7
168.06650	1.1
170.08241	1.3
172.07545	1.4
172.11232	2.7
173.08368	1.3
173.10846	1.0
174.09189	1.9
174.11557	1.4
175.08694	1.6
175.12289	3.1
176.10680	1.3
181.07704	1.1
182.09537	1.1
183.09216	1.2
184.07465	1.2
184.09981	2.0
185.08380	3.0
185.10574	0.8
186.09001	1.7
187.08638	1.5
188.01987	2.5
188.09293	1.3
188.10736	3.3
189.06647	1.4
189.10191	2.0
189.14011	0.9
190.08736	1.3
190.12230	1.7
196.05968	1.2
198.07750	1.2
199.08647	3.0
199.12341	1.4
200.03842	2.2
200.07181	1.3
200.09186	1.7
200.10870	8.3
201.10275	2.0
202.10936	1.6
203.08156	1.8
203.11896	4.6
205.13177	0.9
210.09171	2.3
211.08727	1.3
212.09465	5.7
213.08145	1.6
213.10233	6.5
214.08783	1.2
215.08221	2.2
215.11772	4.0
216.10179	3.6
216.12419	2.1
217.06407	2.9
217.09738	2.8
217.13394	6.8
218.11842	2.2
226.07298	1.6
227.08185	10.0
227.11797	6.6
228.10255	29.4
229.09373	1.0
229.11082	2.9
230.08296	1.3
230.10487	2.3
231.11322	4.0
232.12086	3.0
233.12898	1.1
237.09746	0.9
240.09001	1.2
241.09763	12.6
242.10521	16.2
243.04379	13.2
243.11252	14.5
244.09830	1.4
244.11995	5.9
245.09113	1.1
245.12875	26.5
246.11214	11.0
255.11322	8.8
256.09714	3.1
260.11594	2.3
261.12357	2.9
263.13873	4.5
273.12341	28.2
273.18466	1.2
274.10669	6.8
291.13391	100.0
292.14044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.10268	0.8
53.03933	1.5
53.85681	0.7
54.68760	0.6
55.01862	2.1
55.05510	8.9
57.05709	0.7
59.43966	0.7
67.05498	5.0
69.03435	1.2
69.07062	3.6
69.36591	0.8
71.04991	0.8
71.54922	1.0
79.05497	7.7
81.03439	0.9
81.07062	8.0
83.04979	1.0
83.08629	3.7
91.05485	7.6
93.07047	6.2
95.04977	3.8
95.08620	3.6
97.06508	0.9
97.10164	2.6
98.98486	0.8
101.00569	0.8
105.07029	7.8
107.04955	3.1
107.08584	4.1
109.06519	1.4
109.10143	1.4
113.04243	1.8
117.07050	2.4
119.04958	1.7
119.08589	6.4
121.06523	2.6
121.10139	1.7
123.08086	0.9
125.09643	1.8
129.07007	1.8
131.08568	3.3
133.06500	3.4
133.10175	1.6
134.07260	1.3
135.08078	2.6
139.05757	1.7
142.99846	0.7
143.08556	0.8
145.10110	2.4
147.08067	4.4
149.09627	2.4
151.07556	1.4
157.10193	1.7
161.09636	1.3
162.10385	1.5
163.11142	1.0
165.00125	0.7
168.05971	0.7
169.44809	0.7
197.13795	0.8
223.13222	1.2
233.15381	1.5
249.14865	1.4
249.18559	2.9
255.17416	1.9
259.26962	0.8
260.62875	0.8
271.04678	0.7
273.18542	5.7
291.19553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91141	0.9
53.03933	1.9
55.01874	4.5
55.05507	1.3
57.03432	1.4
58.06628	0.9
58.99587	1.6
60.04513	0.8
61.01133	1.5
65.03936	4.3
67.05490	2.4
68.05027	2.1
69.03401	0.8
69.07062	2.6
70.06592	7.6
71.55823	1.0
72.08161	0.9
73.01150	9.1
74.00684	1.3
75.02715	1.3
78.58529	0.7
78.89076	0.7
79.05474	1.7
80.05011	3.3
81.03409	1.4
81.05800	1.0
81.07050	2.0
82.06573	0.9
83.04977	3.5
84.04520	5.3
84.08160	5.0
85.02920	0.8
86.09671	2.5
89.00643	1.8
91.05475	1.6
93.03392	2.5
93.05745	1.1
93.07022	1.4
94.06564	3.2
95.04967	2.3
96.04524	4.7
96.08129	2.9
97.02888	0.9
98.06071	0.9
104.98320	5.8
105.07008	1.5
107.04878	0.9
108.04481	3.1
109.02873	2.3
109.05240	2.5
110.06036	1.5
110.07164	2.3
111.04376	1.7
112.03987	4.4
114.05486	1.3
116.01655	1.2
116.07083	2.4
120.08089	3.8
121.06489	2.3
122.06020	4.4
123.06837	1.2
124.07605	10.6
125.07114	1.5
127.03915	1.9
129.07004	0.9
129.10236	1.6
130.05031	8.4
130.06516	1.5
131.08534	1.2
133.10182	1.1
136.03949	5.9
137.00903	1.0
137.02335	6.5
138.09145	18.0
140.01665	4.2
140.07057	4.6
142.03192	1.4
142.04994	1.4
143.04570	1.4
144.08128	1.4
145.10092	1.1
146.06058	0.9
147.04491	0.9
150.05527	1.1
154.05006	17.9
157.08835	1.5
157.10080	1.1
158.05957	1.1
160.07581	1.6
160.11209	1.3
161.07053	1.1
162.05505	1.3
163.02496	3.7
164.07080	1.7
168.06650	1.1
170.08241	1.3
172.07545	1.4
172.11232	2.7
173.08368	1.3
173.10846	1.0
174.09189	1.9
174.11557	1.4
175.08694	1.6
175.12289	3.1
176.10680	1.3
181.07704	1.1
182.09537	1.1
183.09216	1.2
184.07465	1.2
184.09981	2.0
185.08380	3.0
185.10574	0.8
186.09001	1.7
187.08638	1.5
188.01987	2.5
188.09293	1.3
188.10736	3.3
189.06647	1.4
189.10191	2.0
189.14011	0.9
190.08736	1.3
190.12230	1.7
196.05968	1.2
198.07750	1.2
199.08647	3.0
199.12341	1.4
200.03842	2.2
200.07181	1.3
200.09186	1.7
200.10870	8.3
201.10275	2.0
202.10936	1.6
203.08156	1.8
203.11896	4.6
205.13177	0.9
210.09171	2.3
211.08727	1.3
212.09465	5.7
213.08145	1.6
213.10233	6.5
214.08783	1.2
215.08221	2.2
215.11772	4.0
216.10179	3.6
216.12419	2.1
217.06407	2.9
217.09738	2.8
217.13394	6.8
218.11842	2.2
226.07298	1.6
227.08185	10.0
227.11797	6.6
228.10255	29.4
229.09373	1.0
229.11082	2.9
230.08296	1.3
230.10487	2.3
231.11322	4.0
232.12086	3.0
233.12898	1.1
237.09746	0.9
240.09001	1.2
241.09763	12.6
242.10521	16.2
243.04379	13.2
243.11252	14.5
244.09830	1.4
244.11995	5.9
245.09113	1.1
245.12875	26.5
246.11214	11.0
255.11322	8.8
256.09714	3.1
260.11594	2.3
261.12357	2.9
263.13873	4.5
273.12341	28.2
273.18466	1.2
274.10669	6.8
291.13391	100.0
292.14044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19307	0.6
55.01876	14.3
55.05495	0.9
56.05043	3.4
58.06603	12.8
58.99578	2.4
59.96718	0.9
65.03939	1.5
69.42815	4.0
70.06583	2.2
71.01366	0.7
72.08154	2.1
73.01145	44.5
73.02914	0.7
76.02230	2.5
83.04962	0.8
84.04510	70.7
84.08135	1.6
85.01118	0.7
85.02889	0.8
86.99055	2.6
88.03997	0.7
96.08121	0.7
98.20786	1.1
99.02685	12.4
101.00607	0.7
101.53534	0.7
102.05541	1.8
103.02155	0.8
105.00111	1.1
116.05339	10.6
124.07605	1.0
130.05003	14.5
142.03239	0.6
142.76346	0.6
145.03189	100.0
160.11662	0.7
162.05858	52.5
170.08148	4.0
182.06384	2.6
212.54172	0.6
228.06938	2.2
234.04349	0.8
274.07504	3.9
282.66638	0.6
284.89740	0.6
291.10135	5.7
291.13181	0.9
304.38855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01878	4.6
55.05517	21.7
57.03436	7.0
57.07063	5.7
58.99583	11.0
61.01160	25.6
67.05505	20.9
68.99773	3.7
69.03421	11.0
69.07079	31.3
70.06590	13.2
71.01333	2.5
71.04991	4.8
71.08610	3.8
71.56064	3.7
72.08160	4.5
72.64626	2.4
73.01151	30.6
79.05495	19.3
81.03436	14.4
81.07066	45.5
82.06576	5.0
83.04967	3.9
83.08650	14.7
84.04507	13.9
84.08144	4.9
85.02921	12.2
85.06540	5.6
86.09719	3.7
87.00798	4.8
87.02714	5.3
91.05465	16.6
93.07053	36.3
95.04974	6.2
95.08615	36.4
96.08116	3.4
97.02916	4.8
97.06510	5.5
97.10151	4.9
99.02688	2.6
99.04449	7.2
100.11301	5.3
101.04224	6.8
104.97617	5.5
104.98324	100.0
105.07018	22.1
107.04973	4.4
107.08606	36.5
109.02885	8.0
109.06506	7.3
109.10155	19.4
110.06004	4.1
110.07227	3.4
111.08075	4.6
111.11758	4.1
113.04209	6.5
115.05642	2.5
116.01674	5.9
116.42312	2.3
117.06982	4.0
119.08624	12.5
120.08118	4.9
121.06496	3.9
121.10152	27.0
123.04486	3.3
123.08067	6.1
123.11682	11.0
125.09640	7.9
127.03934	15.1
127.11149	3.2
129.06833	2.6
130.05023	5.6
131.08534	6.5
133.10135	10.5
135.08070	7.6
135.11725	16.0
142.03209	5.8
143.08643	3.0
145.03178	12.9
145.10126	5.9
147.02988	63.3
147.04384	8.8
147.08113	3.4
147.11685	5.8
149.09633	5.1
149.13283	26.6
157.10243	3.5
161.13217	5.1
162.05878	7.9
163.11174	2.4
163.14828	10.4
170.08173	7.4
171.11662	3.9
177.16391	3.4
183.07579	2.7
217.19508	2.5
218.16988	3.8
227.17679	3.9
245.05898	5.8
250.22365	2.5
273.05380	4.4
273.12378	6.7
273.18506	10.1
273.25592	3.2
291.06503	8.6
291.09741	4.9
291.12729	7.8
291.19510	25.7
291.22754	3.8
291.23282	3.9
291.26669	23.5
296.01642	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	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40246	4.1
51.56760	3.8
56.50777	3.5
56.96571	49.0
60.04508	6.5
69.03416	5.6
70.06616	18.4
70.27005	13.8
70.27342	4.2
72.08143	5.3
73.01129	7.8
84.04532	18.9
84.08163	22.8
84.96069	7.1
85.02905	5.4
86.09702	10.3
87.22115	3.6
95.23801	3.7
97.02916	5.0
98.97590	100.0
99.02661	7.2
110.97572	11.1
112.07610	22.9
116.98639	38.2
119.01907	6.4
120.08128	6.5
128.98624	21.3
129.10226	10.2
130.04991	3.7
131.00166	6.6
134.99632	10.1
140.07095	10.8
143.00179	8.9
144.98167	4.1
145.01691	4.7
145.03215	21.2
146.99663	11.1
147.03291	4.8
158.99690	25.9
161.01242	9.5
162.05864	8.3
162.99208	7.6
170.52817	3.7
170.99767	4.5
177.00745	32.1
181.00177	3.6
189.00722	8.3
189.04407	5.1
193.00220	4.0
207.05507	4.4
219.01712	19.6
237.02893	27.3
257.70605	3.7
291.08374	40.1
298.88013	4.0
309.05118	7.6
309.08575	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	290.1753
Annotation	Lycoramine
Peak:m/z	Relative Intensity
55.05522	1.7
55.71747	0.7
56.04823	0.8
56.05044	10.0
57.07078	7.4
58.06608	4.9
60.04531	1.4
63.77069	0.7
65.03934	1.3
67.05508	7.4
67.12177	0.8
69.07068	5.4
70.06590	1.3
70.79948	2.1
71.08639	3.1
71.95564	0.7
74.06088	10.2
79.05491	2.4
81.07056	2.7
82.06583	2.3
83.04980	1.3
84.08143	1.3
85.10191	1.1
85.93027	0.7
86.06079	1.3
88.07639	37.2
89.65020	0.9
91.05479	1.2
93.03402	1.7
93.07062	3.6
95.08594	1.9
97.06539	3.2
102.09224	0.9
105.07015	0.9
107.08603	2.7
109.06531	0.9
110.06052	29.0
111.04448	9.3
118.08646	7.4
122.08147	6.2
123.04495	1.4
131.04865	0.8
135.08067	2.2
135.11713	3.1
137.06052	0.8
138.05511	100.0
145.06393	0.9
149.04060	0.8
163.07555	1.6
228.23180	2.1
242.24806	37.1
272.25812	2.5
273.15002	0.9
290.17801	5.9
290.26910	100.0
291.19510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1647
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.03947	7.6
55.01876	4.6
55.05506	15.2
55.49103	3.2
57.03414	3.0
57.07080	3.8
61.73555	2.9
65.06816	3.0
65.73549	3.2
66.05698	2.8
67.05511	24.0
68.54507	3.1
69.03423	10.0
69.07067	22.9
69.81547	10.9
69.81957	5.9
70.06596	5.3
71.04991	11.1
73.01170	3.5
79.05491	28.2
81.03431	4.6
81.07060	64.6
83.04977	21.5
83.08625	9.9
84.08138	5.5
85.02911	5.6
85.06544	10.2
91.05494	27.8
93.07040	72.4
93.64870	2.8
95.04984	23.9
95.08606	68.7
97.02916	5.6
97.06530	33.9
99.04456	26.8
101.68857	2.8
105.07029	66.1
107.04943	6.6
107.08591	38.2
109.06500	33.9
109.10164	14.1
111.08098	29.3
113.06048	4.5
117.06981	4.5
118.99863	9.9
119.04984	4.1
119.08592	39.0
120.57431	3.4
121.06513	77.1
121.10139	18.6
122.66006	3.4
123.04471	5.7
123.08076	11.6
123.11713	12.5
125.05996	16.6
125.09612	3.7
127.03903	5.2
127.07588	11.1
129.07047	5.9
131.08557	6.0
133.06529	4.6
133.10135	33.0
135.08090	11.5
135.11681	6.7
137.00952	4.8
137.05965	5.3
139.07562	23.7
142.07829	4.6
143.07042	9.1
143.08582	8.8
145.08873	3.1
145.10133	14.5
147.08058	6.0
147.11693	68.4
149.09616	5.3
149.13290	8.4
151.11208	9.8
153.01802	3.7
156.09399	5.4
157.08627	15.1
157.10144	17.3
159.06558	14.8
159.11734	9.1
161.09573	4.4
161.13272	65.6
164.07133	4.2
165.12738	16.0
169.12256	21.2
171.11662	18.3
173.13292	4.2
175.11180	32.1
189.12767	23.2
193.12257	40.9
199.11226	27.9
207.13866	17.7
211.13283	33.0
217.12254	100.0
218.12592	3.6
229.14403	15.1
235.13297	84.1
244.16142	3.6
249.91415	3.9
253.14355	53.7
253.19524	13.0
271.20599	9.4
289.05954	32.7
289.11224	4.6
289.15161	4.0
289.18396	5.5
289.21646	47.8
289.25211	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	289.1548
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
50.99308	0.4
53.03927	0.6
55.05511	0.8
57.02481	0.5
58.99573	1.4
65.03949	1.0
66.10854	0.5
67.05489	1.7
69.03415	0.5
69.07069	3.9
69.94257	1.1
69.94674	1.2
70.06585	0.5
73.01114	0.6
75.02708	0.6
78.96741	0.8
79.05491	3.0
81.07056	2.2
82.60148	0.5
83.04974	0.4
84.04531	0.5
85.02905	0.5
91.05470	4.9
93.07045	2.4
94.06544	0.9
94.26367	0.5
95.04956	1.5
95.08598	1.0
96.05755	0.6
96.08141	1.7
97.01083	0.6
97.06515	1.5
99.02670	1.1
101.04243	2.1
104.05023	0.5
105.05786	0.5
105.07019	1.4
106.06556	1.7
107.08560	1.4
108.08113	1.2
109.06504	0.5
109.10156	0.9
110.93938	0.7
111.02678	2.2
112.03463	2.4
113.04243	8.0
115.02141	0.8
116.04981	1.0
117.05737	1.5
117.07030	0.5
118.06542	4.6
119.07359	0.6
119.08579	1.2
120.08118	14.1
121.06491	0.4
121.10133	0.9
122.09685	1.1
124.07600	8.6
126.09147	1.0
127.02193	0.6
127.03892	0.6
129.03737	2.9
130.04459	1.8
131.08533	0.5
133.10165	0.8
134.06026	6.3
134.99474	0.5
135.08006	0.6
135.11713	0.6
136.07578	6.6
138.05502	2.5
138.09119	1.0
142.99821	0.9
145.01404	0.6
145.10130	1.3
146.05980	4.3
147.06793	2.6
147.11699	1.2
148.07578	9.4
150.09132	0.8
152.07053	1.3
159.11700	1.4
161.00951	0.7
161.09598	0.4
161.13229	0.8
164.07071	100.0
165.07605	1.6
166.08643	3.4
173.13307	0.6
180.06519	0.5
197.16895	0.4
200.10683	0.9
215.15413	2.0
216.10260	2.4
225.13858	0.5
229.13414	1.2
243.14966	6.1
244.15154	0.5
245.16496	2.6
253.13713	0.9
253.19388	0.6
254.11780	1.2
271.14420	22.1
289.06119	1.6
289.15463	74.9
289.21844	1.5
289.25076	1.0
290.15781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31772	0.9
55.05508	2.7
57.07070	3.5
58.99594	11.1
59.96747	0.8
61.01145	2.4
65.03939	1.8
67.05505	7.0
69.06724	1.4
69.07072	20.4
69.80435	0.8
70.06584	3.5
70.99584	1.9
71.08635	1.4
73.01173	1.8
75.02680	0.7
78.96779	5.8
79.05499	7.4
81.07045	2.2
81.95620	0.8
83.04974	0.8
83.08611	2.8
85.01140	1.8
85.06549	1.0
85.10170	1.5
87.02689	1.4
88.07629	4.3
89.00633	1.5
92.94687	0.9
92.98321	1.2
93.07024	1.0
95.04969	3.1
95.08598	2.6
96.05758	2.5
96.54776	0.7
97.01108	3.4
97.06533	13.2
97.10160	0.8
98.07296	1.1
99.02676	6.7
101.04255	18.7
103.02203	1.0
104.98326	1.6
105.07051	1.7
106.08677	4.4
108.97817	1.3
109.10072	0.9
110.93956	11.5
111.02672	25.9
112.03455	19.3
113.04237	100.0
115.02138	2.6
115.05798	1.2
116.98283	0.8
119.08533	1.1
120.00691	0.9
120.97757	0.9
127.02145	2.5
127.05791	1.4
128.02919	1.0
129.03717	23.0
129.10303	0.8
130.04497	12.7
131.05281	3.8
133.01421	2.3
142.99847	10.3
144.00627	7.7
145.01430	2.3
145.12936	0.9
158.99362	0.9
159.03011	3.2
160.03798	1.2
161.00896	4.7
161.13321	4.2
165.87204	0.9
174.97012	1.1
177.03992	0.9
191.00218	1.1
200.58583	0.8
209.01213	1.5
212.23750	17.6
213.24023	4.5
240.98497	2.0
242.24748	2.3
253.19644	1.3
271.16837	0.8
271.20374	0.9
288.25375	9.2
288.28979	20.1
288.98981	1.1
289.18295	1.4
289.21683	2.8
289.25717	3.3
289.29272	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	288.2034
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
55.05513	1.2
56.05033	1.4
56.96568	8.8
57.03454	1.5
60.04521	1.0
60.05654	23.3
60.08162	3.3
61.02933	1.2
68.05040	2.0
69.03430	2.3
69.05861	0.7
69.07076	4.6
70.06599	94.9
71.04996	2.4
71.06950	0.7
71.54850	0.9
72.08163	9.4
73.02914	0.8
74.06091	1.9
75.02695	0.8
81.03436	1.0
82.16191	0.6
83.06111	4.1
84.03007	2.0
84.04519	2.1
84.08147	8.5
84.96040	0.9
85.02943	2.5
85.66118	0.6
86.09714	42.0
87.05574	1.0
88.07637	1.0
97.02920	2.5
97.07661	1.6
98.06058	3.5
98.97592	5.5
100.02490	1.1
100.07613	1.0
101.00888	4.0
102.04056	7.7
103.04150	2.8
104.03828	1.2
108.04479	1.1
110.07176	1.4
111.05592	2.8
112.08745	11.6
112.99164	1.5
114.10323	0.8
115.02473	1.8
115.08706	5.3
116.07101	17.0
116.98650	1.7
117.04009	1.0
118.03421	0.9
119.01926	9.5
120.05107	2.7
121.05164	1.3
126.05547	2.1
127.03252	10.9
127.07153	0.7
128.07246	1.1
128.11859	0.9
128.98596	0.8
129.10268	6.4
130.08771	1.2
130.09750	5.9
131.00172	2.3
131.01930	1.9
133.03490	2.9
137.02980	2.1
140.08243	1.1
141.10298	1.1
143.01897	1.9
144.06630	0.7
145.08220	0.7
146.06630	0.8
146.99675	1.4
147.05025	0.7
149.01187	2.2
149.02878	1.0
156.11349	5.7
157.10883	2.9
158.06425	0.7
158.09256	10.0
158.99666	1.0
160.04224	1.1
161.02971	4.1
167.02171	1.1
169.04451	3.7
169.09846	0.9
171.01357	1.5
171.06177	1.9
172.06360	2.5
174.04422	0.9
174.99236	0.8
175.11920	45.9
177.00821	1.1
178.04971	6.1
180.82288	0.7
183.14972	1.2
184.04601	0.8
185.07460	5.9
187.00908	2.2
187.10875	0.7
189.02483	1.0
191.04030	1.3
193.00128	1.1
193.03952	0.7
194.06955	1.5
197.04128	1.2
198.04129	0.8
199.00867	1.6
205.01907	0.9
208.14479	1.1
212.12813	1.4
215.00313	2.0
215.05153	2.2
216.05371	2.5
217.01996	1.6
217.11844	1.4
219.01677	1.2
219.03526	2.0
225.17136	1.6
228.17148	1.5
229.15503	8.4
233.06018	0.8
237.02721	0.9
244.14813	9.4
247.03062	1.2
253.16544	2.0
254.14935	1.0
270.19403	0.9
271.17642	9.5
287.58801	0.8
288.20319	100.0
289.20444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05515	1.3
56.05022	3.2
56.96568	69.5
57.03432	0.9
58.22181	0.8
60.04517	2.2
60.05654	15.0
60.08155	2.4
68.05045	1.2
69.03439	2.2
69.05807	1.3
69.07057	2.5
70.06596	71.5
71.04975	1.1
71.53939	1.1
72.08159	11.0
72.96056	1.5
73.02907	1.1
74.06071	1.7
74.97602	1.8
81.03423	1.0
82.06583	1.1
83.06094	3.6
83.97624	1.5
84.04504	7.0
84.08145	16.6
84.96037	2.1
85.02896	2.1
86.06091	0.9
86.09709	45.3
87.10013	1.1
88.03990	1.1
97.02905	2.2
97.07645	1.6
98.06068	2.6
98.97572	5.4
100.02203	1.0
102.05533	2.8
108.04440	0.9
110.07185	2.9
110.97576	17.3
111.05553	1.3
111.07581	0.9
112.07571	1.0
112.08730	9.1
114.10255	0.9
115.08678	3.6
116.07105	10.8
116.98608	3.0
119.01912	3.9
120.08074	1.8
126.02303	1.8
126.05489	2.0
127.03250	7.7
128.98613	25.8
129.10246	7.4
130.04958	1.6
130.08743	1.0
130.09758	4.4
130.10599	0.9
131.01871	2.6
132.10168	2.3
133.03395	1.2
134.08038	0.9
134.99706	1.7
136.06255	1.2
137.98653	2.1
140.03819	1.1
140.08252	1.9
142.05432	1.8
143.00171	1.7
146.99644	15.5
147.04385	1.1
155.99687	9.5
156.11327	4.0
156.98079	11.3
157.10835	2.2
158.04855	4.6
158.09262	8.5
160.06454	5.6
161.01297	1.1
161.02930	1.6
165.00780	1.6
170.04927	2.5
172.08170	3.0
173.12988	1.2
174.00769	13.4
174.99158	82.2
175.11917	32.6
176.05923	1.6
177.00787	1.3
178.07501	1.7
185.07448	4.0
188.06038	5.3
188.07516	1.5
189.00691	1.3
190.09279	1.1
192.01884	2.3
193.00223	100.0
198.00804	1.4
201.04251	1.4
203.04042	1.7
206.07014	14.6
206.08737	1.1
207.01752	1.9
207.05199	1.9
208.10320	1.2
211.01309	5.6
216.01790	2.0
224.08069	19.8
226.09248	1.1
228.17084	1.5
229.15508	6.0
234.11880	2.6
242.08983	1.8
244.10507	2.0
244.14728	8.5
246.08347	1.4
252.05606	1.5
253.16653	2.1
264.07162	1.0
270.06396	7.6
270.19278	1.2
271.17630	7.8
277.82309	0.9
288.07602	56.7
288.20303	74.5
306.08630	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	288.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05515	1.3
56.05022	3.2
56.96568	69.5
57.03432	0.9
58.22181	0.8
60.04517	2.2
60.05654	15.0
60.08155	2.4
68.05045	1.2
69.03439	2.2
69.05807	1.3
69.07057	2.5
70.06596	71.5
71.04975	1.1
71.53939	1.1
72.08159	11.0
72.96056	1.5
73.02907	1.1
74.06071	1.7
74.97602	1.8
81.03423	1.0
82.06583	1.1
83.06094	3.6
83.97624	1.5
84.04504	7.0
84.08145	16.6
84.96037	2.1
85.02896	2.1
86.06091	0.9
86.09709	45.3
87.10013	1.1
88.03990	1.1
97.02905	2.2
97.07645	1.6
98.06068	2.6
98.97572	5.4
100.02203	1.0
102.05533	2.8
108.04440	0.9
110.07185	2.9
110.97576	17.3
111.05553	1.3
111.07581	0.9
112.07571	1.0
112.08730	9.1
114.10255	0.9
115.08678	3.6
116.07105	10.8
116.98608	3.0
119.01912	3.9
120.08074	1.8
126.02303	1.8
126.05489	2.0
127.03250	7.7
128.98613	25.8
129.10246	7.4
130.04958	1.6
130.08743	1.0
130.09758	4.4
130.10599	0.9
131.01871	2.6
132.10168	2.3
133.03395	1.2
134.08038	0.9
134.99706	1.7
136.06255	1.2
137.98653	2.1
140.03819	1.1
140.08252	1.9
142.05432	1.8
143.00171	1.7
146.99644	15.5
147.04385	1.1
155.99687	9.5
156.11327	4.0
156.98079	11.3
157.10835	2.2
158.04855	4.6
158.09262	8.5
160.06454	5.6
161.01297	1.1
161.02930	1.6
165.00780	1.6
170.04927	2.5
172.08170	3.0
173.12988	1.2
174.00769	13.4
174.99158	82.2
175.11917	32.6
176.05923	1.6
177.00787	1.3
178.07501	1.7
185.07448	4.0
188.06038	5.3
188.07516	1.5
189.00691	1.3
190.09279	1.1
192.01884	2.3
193.00223	100.0
198.00804	1.4
201.04251	1.4
203.04042	1.7
206.07014	14.6
206.08737	1.1
207.01752	1.9
207.05199	1.9
208.10320	1.2
211.01309	5.6
216.01790	2.0
224.08069	19.8
226.09248	1.1
228.17084	1.5
229.15508	6.0
234.11880	2.6
242.08983	1.8
244.10507	2.0
244.14728	8.5
246.08347	1.4
252.05606	1.5
253.16653	2.1
264.07162	1.0
270.06396	7.6
270.19278	1.2
271.17630	7.8
277.82309	0.9
288.07602	56.7
288.20303	74.5
306.08630	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	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03940	0.2
55.01882	0.2
65.03934	0.4
67.01875	0.4
68.99441	0.2
68.99798	2.4
69.03426	0.1
69.82598	0.6
71.01357	0.2
71.46037	0.1
73.73369	0.1
79.05492	0.4
81.03405	0.3
82.40031	0.1
84.08108	0.1
86.09692	0.2
91.05486	0.2
95.04951	0.2
102.80006	0.1
103.05489	0.2
105.03388	0.8
107.04962	1.0
109.02895	0.9
111.00826	1.5
111.04440	0.4
115.05448	0.1
117.06998	0.2
119.04927	0.2
121.02878	7.7
121.03850	0.2
127.03940	0.5
129.06995	0.4
131.04964	0.2
133.02866	1.0
134.03680	0.1
135.04410	0.5
137.02342	2.5
139.05525	0.1
140.81683	0.1
141.07002	0.3
142.12172	0.1
145.06474	0.5
147.04420	1.4
153.01840	10.9
157.06509	1.4
161.05994	0.5
163.03889	0.2
165.01848	3.2
168.91229	0.1
169.06535	0.2
171.03061	0.2
171.04445	0.7
173.05959	0.2
175.03941	0.2
183.02896	1.5
185.05988	1.1
189.05482	0.3
194.02219	0.1
197.05994	0.4
199.03944	0.2
203.03429	0.2
203.07069	0.3
207.02783	0.1
212.04564	0.1
213.05486	3.1
214.05769	0.1
216.04121	0.1
229.05002	0.4
231.06554	1.4
241.04965	1.9
243.06584	0.3
258.05246	2.4
258.07825	0.2
259.06079	0.8
263.05457	0.2
269.04453	0.5
280.07959	0.1
287.05515	100.0
288.05780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.55975	0.1
53.03955	0.2
53.15546	0.1
55.01867	0.4
55.05513	0.2
60.77618	0.1
62.22293	0.1
65.03934	0.3
67.01871	0.3
67.05491	0.3
68.99433	0.2
68.99794	2.3
69.03419	0.2
70.68140	0.2
70.68478	0.1
71.04987	0.3
77.03956	0.1
79.05506	0.8
81.03426	0.3
81.07029	0.2
85.06561	0.1
87.04465	0.2
91.05489	0.3
93.03394	0.1
93.07021	0.2
94.04186	0.1
95.04971	0.3
97.02878	0.2
97.06542	1.9
103.05465	0.3
105.03404	0.9
105.04523	0.1
105.07024	0.1
107.04954	1.2
107.08602	0.1
109.02911	0.8
109.10161	0.2
111.00809	1.6
111.04443	0.4
115.05447	0.2
116.98320	0.1
119.38857	0.1
121.02880	6.1
121.03904	0.4
121.06483	0.1
123.04477	0.1
127.03913	0.3
128.06252	0.2
129.07030	0.5
131.05000	0.1
133.02863	0.9
133.06451	0.1
133.10236	0.1
135.04434	0.2
135.08064	0.1
137.02350	2.1
139.05484	0.1
141.06981	0.3
145.06496	0.4
147.04410	1.3
147.11676	0.1
151.03891	0.2
153.01845	10.5
154.02202	0.1
157.06506	1.4
157.84784	0.1
160.05173	0.1
161.05972	0.5
165.01852	3.7
169.06480	0.2
171.03101	0.2
171.04364	0.6
173.05991	0.1
175.03873	0.1
175.07588	0.1
183.02907	1.5
185.06010	1.1
189.05389	0.2
195.13774	0.5
197.06073	0.3
201.05670	0.1
203.03339	0.1
203.07027	0.3
206.27744	0.1
213.05482	3.3
213.14717	0.2
216.04185	0.2
217.04869	0.1
229.04991	0.4
231.06506	1.1
241.04980	1.8
243.06544	0.2
245.04532	0.2
258.05264	2.2
259.06116	0.8
269.04468	0.2
287.05515	100.0
288.05856	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03944	0.2
65.03940	0.4
66.90820	0.1
67.01859	0.4
68.99790	2.5
69.03423	0.3
69.07040	0.1
79.05484	0.5
80.76551	0.1
81.03410	0.3
91.05473	0.2
93.85973	0.1
95.04980	0.4
98.20733	0.5
103.05478	0.3
105.03417	0.8
105.06989	0.2
107.04958	1.1
109.02915	0.8
111.00816	1.4
111.04439	0.5
115.05426	0.2
119.04955	0.2
121.02874	7.0
123.04463	0.1
129.06992	0.5
130.41924	0.1
131.08553	0.2
133.02893	0.8
135.04439	0.4
137.02353	2.1
141.06979	0.3
145.06493	0.6
147.04422	1.4
153.01837	11.4
157.06477	1.4
161.05965	0.3
162.68362	0.1
165.01854	3.6
171.04384	0.8
171.05589	0.1
175.03920	0.2
183.02885	1.7
185.06020	1.3
189.05432	0.3
197.06053	0.3
199.03862	0.2
201.05255	0.1
203.06987	0.2
213.03458	0.2
213.05481	3.1
216.04117	0.2
229.04997	0.5
231.06543	1.3
241.04950	1.7
245.04475	0.2
258.05255	2.5
259.06055	0.9
269.04434	0.3
287.05511	100.0
288.05908	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03954	0.2
59.27635	0.2
67.01867	0.5
68.99792	2.3
69.51736	0.6
69.52148	0.8
79.05488	0.6
81.03396	0.4
105.03387	0.8
107.04954	1.1
109.02869	0.8
111.00818	1.3
111.04474	0.3
121.02876	6.2
121.03844	0.3
122.21716	0.2
129.07014	0.4
133.02872	1.0
135.04419	0.5
137.02345	2.1
141.07007	0.4
145.06474	0.4
147.04413	1.4
153.01836	10.0
157.06462	1.1
161.05989	0.5
165.01840	3.6
169.06349	0.3
171.04387	0.8
183.02882	1.8
185.05960	1.2
189.05452	0.3
197.06111	0.4
203.03372	0.2
211.99347	0.2
212.04564	0.2
213.05473	3.0
229.05084	0.6
231.06465	1.3
241.04948	1.9
258.05289	2.2
259.05991	0.9
287.05508	100.0
288.05798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50575	0.1
53.03939	0.3
59.56742	0.1
65.03939	0.3
67.01860	0.3
68.99799	2.1
69.03423	0.2
70.99619	0.2
79.05480	0.5
81.03415	0.2
95.04946	0.3
103.05474	0.2
105.03415	0.6
107.04943	0.9
109.02872	0.5
111.00809	1.3
111.04439	0.3
115.05444	0.2
119.04900	0.2
121.02872	5.9
121.03859	0.3
127.03844	0.2
128.17863	0.1
129.07007	0.3
133.02866	0.9
135.04436	0.4
137.02341	1.8
141.07010	0.2
145.06479	0.5
147.04420	1.1
153.01837	10.1
157.06512	1.0
161.05965	0.2
165.01846	3.3
169.06496	0.2
171.04449	0.7
175.03952	0.3
175.07648	0.1
176.76050	0.1
183.02901	1.6
185.06001	1.0
189.05452	0.3
197.06003	0.2
203.03479	0.2
203.07060	0.2
213.05472	2.9
229.04919	0.3
231.06537	1.3
241.04964	1.4
243.06491	0.2
258.05292	1.8
259.06030	0.9
269.04468	0.3
287.05508	100.0
288.05814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03936	0.2
61.27086	0.2
65.03933	0.3
67.01879	0.3
68.99793	1.5
69.67484	1.1
79.05471	0.5
81.03396	0.2
81.77835	0.2
94.04198	0.2
96.51459	0.2
98.20841	0.4
103.05496	0.2
105.03398	0.8
107.04943	1.0
109.02863	0.4
111.00810	1.4
111.04443	0.3
114.88187	0.2
121.02871	5.7
121.03845	0.3
129.06995	0.3
133.02847	0.8
137.02342	1.7
141.06982	0.2
143.04852	0.2
145.06450	0.2
147.04404	0.9
153.01833	8.5
157.06520	1.1
161.05957	0.4
165.00522	0.3
165.01845	3.2
166.02550	0.2
167.38136	0.2
171.04445	0.5
172.59947	0.2
175.04010	0.2
183.02873	1.7
185.05934	1.0
197.05971	0.2
199.03790	0.2
203.07095	0.3
212.48691	0.2
213.05478	2.5
229.04950	0.4
231.06483	1.2
241.04988	1.4
258.05264	2.0
259.06027	1.1
269.04407	0.4
287.05493	100.0
288.05875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
65.03934	0.3
67.01841	0.4
68.99795	2.3
69.03429	0.3
69.42408	0.2
69.67035	1.0
74.68529	0.1
79.05486	0.8
81.03426	0.2
95.04993	0.2
105.03376	0.9
105.07034	0.2
107.04967	1.6
109.02862	0.8
111.00811	1.6
111.04446	0.4
117.07026	0.4
121.02872	7.1
127.03901	0.5
128.06157	0.2
129.07008	0.4
131.78947	0.2
133.02829	0.9
135.04402	0.3
137.02336	2.1
139.05386	0.2
141.06984	0.4
145.06467	0.4
147.04439	1.0
153.01831	9.3
154.91243	0.1
157.06488	1.2
161.05988	0.4
165.01834	3.4
166.02507	0.1
171.03004	0.1
171.04395	0.8
175.03796	0.1
178.26495	0.2
183.02893	1.7
185.05980	1.3
192.64645	0.2
197.05981	0.4
201.05550	0.2
203.06984	0.2
213.05489	3.0
229.05000	0.5
231.06493	1.5
241.04950	1.5
243.06476	0.2
258.05258	2.4
259.06094	0.8
269.04388	0.2
287.05499	100.0
288.05792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03944	0.2
53.76591	0.1
55.01879	0.2
65.03946	0.3
67.01865	0.3
68.51254	0.1
68.84451	0.1
68.99798	1.9
69.03426	0.3
70.84557	0.2
70.84884	0.2
72.08127	0.1
79.05486	0.6
81.03416	0.4
91.05507	0.2
95.01344	0.1
95.04966	0.3
96.82570	0.1
103.05471	0.2
105.03412	0.9
107.04955	1.0
109.02891	0.8
111.00822	1.4
111.04460	0.4
115.05473	0.1
119.04922	0.2
121.02881	7.7
121.03832	0.3
127.03937	0.5
127.94476	0.1
128.06239	0.2
129.07037	0.3
133.02867	1.0
133.06323	0.1
135.04410	0.3
135.42259	0.1
137.02345	2.4
138.64345	0.1
141.07066	0.2
145.02837	0.2
145.06490	0.5
147.04425	1.3
153.01843	10.5
157.06497	1.5
161.05960	0.3
165.01855	3.5
169.06454	0.2
171.03087	0.1
171.04353	0.7
175.03912	0.3
183.02913	1.8
184.05151	0.2
185.05971	1.3
189.05594	0.2
197.06023	0.3
199.03792	0.2
201.05550	0.1
203.03485	0.2
203.07062	0.3
212.04489	0.1
213.05487	3.2
216.04202	0.1
229.04974	0.3
231.06538	1.4
241.04968	1.7
243.06487	0.2
243.98717	0.1
245.04465	0.2
258.05255	2.3
259.06021	0.7
269.04379	0.3
287.05515	100.0
288.05838	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.85654	0.1
65.03943	0.4
67.01859	0.3
68.99796	2.3
69.03440	0.2
71.06509	0.2
72.08136	0.2
79.05499	0.6
81.03414	0.3
84.04486	0.2
84.08136	0.2
86.09688	0.2
94.06618	0.1
95.04981	0.2
103.05480	0.3
105.03407	1.0
105.07011	0.1
107.04957	1.2
109.02888	0.6
111.00813	1.4
111.04462	0.4
115.05434	0.2
117.06976	0.1
119.04966	0.2
121.02875	7.4
121.03850	0.3
127.03914	0.5
128.06242	0.1
129.07019	0.3
129.10251	0.3
130.06526	0.1
133.02861	1.0
133.06450	0.1
135.04402	0.2
137.02341	2.3
141.06989	0.4
144.06544	0.2
144.08051	0.4
145.06480	0.5
147.04422	1.5
153.01837	10.9
157.06473	1.4
161.05948	0.4
165.01851	3.2
169.06468	0.3
171.04396	0.6
175.03943	0.2
183.02902	1.6
185.05994	1.2
189.05449	0.3
197.05963	0.3
199.04031	0.1
201.05513	0.1
203.03487	0.2
203.07088	0.4
213.05489	3.5
216.04251	0.2
222.63582	0.1
229.04887	0.5
231.06505	1.4
241.04958	1.9
242.05710	0.2
243.06567	0.2
245.04378	0.2
258.05258	2.3
259.06003	1.0
269.04419	0.5
286.04816	0.1
287.05505	100.0
288.05878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30816	0.1
53.03950	0.2
55.01873	0.2
55.05525	0.1
55.97169	0.1
57.05353	0.1
65.03940	0.4
67.01855	0.4
68.99796	2.4
69.03437	0.2
70.06590	0.4
70.80921	0.1
72.08153	0.5
79.05496	0.6
81.03413	0.3
84.04478	0.1
84.08146	0.6
86.09710	0.7
91.05499	0.2
94.04159	0.1
95.04969	0.3
97.02927	0.1
98.20779	0.2
103.05447	0.3
105.03404	1.0
105.07059	0.1
106.97890	0.1
107.04958	1.1
109.02889	0.8
109.17535	0.1
110.07146	0.1
111.00812	1.5
111.04449	0.5
115.05447	0.2
116.07088	0.2
119.04967	0.2
121.02874	7.0
121.03841	0.3
127.03922	0.5
128.06215	0.1
128.07097	0.1
129.06990	0.4
129.10202	0.2
131.04933	0.1
132.10252	0.2
133.02861	0.9
135.04404	0.4
137.02345	2.2
141.07002	0.2
145.06459	0.5
147.04420	1.5
147.08160	0.1
151.03937	0.1
153.01837	10.9
155.06032	0.1
157.06512	1.3
161.05966	0.4
165.01848	3.6
169.06497	0.2
171.02960	0.2
171.04433	0.8
173.05899	0.1
175.03893	0.1
183.02901	1.7
185.05980	1.2
189.05505	0.4
197.06003	0.3
199.03929	0.1
201.05472	0.2
203.03383	0.1
203.07101	0.3
213.05472	3.4
216.04272	0.1
217.05086	0.2
229.04999	0.4
231.06540	1.2
232.03568	0.1
241.04953	1.8
242.05795	0.2
243.06476	0.2
245.04411	0.2
258.05261	2.1
259.06052	0.9
269.04453	0.4
269.12796	0.1
287.05508	100.0
288.05872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.8
71.53469	0.7
71.95214	0.4
77.01579	0.5
98.97580	5.0
101.00880	3.7
102.00878	0.6
102.96905	1.6
103.00658	0.7
108.52497	0.4
116.98635	5.5
119.01933	13.4
119.47760	0.5
120.01979	3.0
120.97903	1.4
121.01668	5.2
123.68906	0.4
130.93315	2.1
134.99767	2.6
137.02965	3.4
137.03854	0.6
138.98941	0.7
139.02737	1.5
140.98808	0.6
142.03484	0.6
148.94362	0.5
153.00874	0.6
158.99925	0.8
160.99727	0.6
161.99786	0.6
172.94385	3.6
176.00206	0.9
177.00964	15.0
178.01077	1.7
179.00716	9.9
180.00810	9.3
190.95424	6.6
192.98755	0.9
200.04805	1.2
203.00790	0.9
204.00951	0.7
208.96432	2.7
214.95401	0.8
216.98747	1.0
218.01234	8.4
219.02014	11.7
219.03903	1.4
220.02138	1.4
220.04120	2.4
221.01801	11.5
222.01909	17.5
227.00648	0.9
227.98593	0.7
228.00902	2.0
232.96480	4.7
234.99789	1.9
235.30038	0.5
238.99606	0.6
240.98228	2.2
244.98399	0.6
245.01857	1.9
245.03853	0.6
245.99518	0.8
246.01891	7.0
250.00212	1.7
250.97456	2.7
261.03296	0.7
262.03125	1.3
262.99960	0.5
263.02847	36.7
264.00467	28.4
264.03082	100.0
265.02859	1.4
270.19391	0.5
278.01938	0.6
278.04724	1.3
280.95032	0.9
281.00616	1.1
281.98196	0.7
282.01599	9.9
286.04456	0.7
286.99521	3.2
287.02136	2.3
287.04901	4.2
305.00601	6.0
305.03909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1398
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
51.77619	0.3
55.01870	0.6
55.05526	0.4
56.96569	4.0
60.04554	0.4
61.02936	0.9
62.55524	0.4
65.03954	0.6
68.05025	0.6
69.03439	1.9
69.80920	2.2
70.06596	100.0
72.08164	3.4
73.02937	0.9
76.28283	0.3
81.03420	0.8
82.85475	0.4
83.06127	0.6
84.04504	2.5
84.08148	2.5
84.96012	0.5
85.02916	3.0
86.09714	3.0
91.05486	0.7
93.03428	0.7
97.02905	1.4
98.97615	2.9
101.07151	0.8
109.02888	0.5
110.07173	3.5
110.97595	0.9
111.04443	0.9
111.07574	0.4
112.07613	88.6
115.08703	0.5
116.07082	2.4
116.98635	1.3
119.01905	0.5
119.04982	0.5
121.07667	0.8
124.03962	9.4
124.07597	1.0
125.06022	1.5
126.02509	0.4
127.03955	0.9
128.98611	1.4
129.06584	0.6
129.10307	0.8
130.04977	0.6
134.99713	0.7
137.04636	0.4
140.07074	53.8
140.90207	0.3
143.00119	0.5
145.01814	0.4
145.05003	0.5
146.99675	1.0
147.07658	1.0
153.05476	4.9
154.07224	1.3
154.96608	0.5
155.04665	0.7
156.03333	0.7
157.09743	4.1
158.06633	1.0
163.12273	1.3
169.04475	0.4
169.13376	0.5
171.11325	0.8
172.95311	0.4
173.09126	0.7
174.04404	1.1
176.07689	0.7
178.03864	0.4
183.05907	1.1
186.04384	1.3
188.07713	1.4
189.00676	0.6
190.95192	0.5
190.98709	0.8
195.06514	2.4
199.10767	0.5
204.05420	1.3
208.14442	0.6
210.01976	1.0
211.05356	0.5
219.01840	1.1
224.07631	1.1
237.02846	1.5
240.13364	1.0
242.08653	0.8
242.13123	0.9
244.97429	0.5
248.09761	0.4
252.97795	0.4
254.14926	0.4
258.15720	0.5
268.13013	0.4
269.12518	0.7
286.05502	1.1
286.09222	1.1
286.14496	3.2
286.17734	1.9
287.05524	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05499	19.3
57.07050	5.7
57.57697	5.9
63.00055	6.0
67.05516	41.8
69.07065	58.2
69.20407	6.3
70.06593	6.2
70.62261	17.5
79.05492	24.2
81.07067	52.9
83.04960	6.2
83.08619	6.0
87.25646	5.5
91.05477	24.5
93.07068	35.3
95.04949	11.0
95.08598	61.8
97.06528	18.5
102.86967	6.4
105.07040	80.3
107.08598	38.2
109.06514	25.4
109.10168	34.1
117.07050	7.6
119.08591	100.0
121.06593	11.6
121.10175	32.7
123.11718	20.9
131.08549	16.3
133.10165	60.4
135.08051	13.4
135.11688	20.9
145.10138	25.9
146.07256	11.9
147.11700	22.7
157.10115	9.0
159.11713	16.2
161.09636	97.2
161.13274	7.2
163.11234	6.1
167.08673	5.6
169.10020	6.7
171.11678	7.5
173.13318	14.8
175.11313	8.5
175.14856	63.4
177.16409	14.1
183.11723	8.3
185.13266	11.1
193.15878	15.3
197.13274	12.3
231.02905	6.1
267.21115	16.4
285.18802	10.7
285.22180	49.1
285.29855	14.2
286.63846	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	285.2427
Annotation	Tanikolide
Peak:m/z	Relative Intensity
55.05512	9.1
57.03441	28.7
57.07080	74.2
58.99589	3.6
63.00040	4.1
67.05502	18.3
69.06734	1.7
69.07073	22.6
70.06598	4.0
70.94132	4.6
71.04964	2.4
71.08636	43.7
73.01136	4.9
79.05491	3.4
81.07072	20.4
83.08649	8.5
85.01099	2.0
85.06529	3.2
85.10184	27.2
87.02640	1.8
88.07610	3.8
89.06029	4.3
93.07030	3.2
95.08610	31.4
97.06543	3.5
97.10169	6.1
98.98450	2.8
99.02715	2.4
101.04225	7.3
103.07562	2.1
104.98336	2.6
109.10171	16.6
111.02686	3.7
111.11713	3.9
112.03443	7.5
113.04239	13.3
115.02081	2.2
117.07166	1.5
119.08634	1.8
121.06499	1.7
123.11713	5.7
129.03737	2.2
130.04460	3.7
137.13268	5.3
145.01389	4.2
147.11665	1.8
194.99739	1.9
211.20685	8.7
229.21776	8.1
253.08812	2.4
285.18719	5.5
285.24261	100.0
285.29398	23.2
286.31055	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	286.0924
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
50.78978	0.3
53.03946	0.4
55.05497	0.4
56.05033	0.6
56.96562	0.5
57.03436	0.5
60.04524	0.5
60.05633	0.5
61.01139	0.2
67.05503	0.4
69.03424	1.2
69.07075	0.6
70.06596	11.9
70.78717	0.8
71.04990	0.4
72.08159	5.9
73.02939	0.6
74.06078	0.5
76.03378	0.2
78.03464	2.0
80.05019	3.0
81.03413	1.6
83.06120	0.3
84.04517	2.2
84.08138	2.3
85.02905	3.8
86.09708	3.6
88.03992	0.3
95.06116	0.3
96.04503	2.5
96.08123	0.3
96.44669	0.3
96.94941	0.3
97.02895	1.0
98.06010	0.3
98.97591	0.5
99.04424	0.5
102.05569	0.3
106.02923	12.3
109.02885	2.1
110.07175	1.1
112.07618	0.8
115.08694	0.6
116.07098	8.6
116.98549	0.3
121.02902	0.4
124.03959	100.0
127.03905	1.9
127.04879	0.4
129.10234	0.9
130.04999	0.6
136.07594	0.4
140.07085	0.8
143.11826	2.7
145.04968	0.4
153.01857	0.4
157.13313	0.3
161.18379	0.3
165.01883	0.3
171.11296	1.6
173.09261	1.4
199.10719	0.4
215.13902	0.8
221.28001	0.3
223.07631	0.7
227.10152	0.4
240.10324	0.6
240.13438	0.3
250.07138	4.8
268.08112	2.3
269.12561	0.8
286.09235	37.5
286.15469	1.1
287.05511	5.1
296.71222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
55.05263	1.1
55.05515	14.7
57.03192	1.9
57.03442	23.2
57.07071	2.6
58.99594	10.6
61.01137	1.9
62.84879	1.0
62.99065	1.7
63.00049	1.8
65.03937	2.2
66.59483	1.0
67.05513	38.9
69.03415	2.1
69.07077	30.6
70.06588	1.7
70.95045	2.7
71.04988	7.0
73.01147	13.6
73.06575	1.0
79.05070	1.5
79.05503	23.7
81.03424	2.6
81.07065	100.0
81.49364	1.0
83.04994	7.0
83.08622	10.5
85.02889	1.4
85.06547	7.2
86.09733	1.3
87.02663	1.4
90.01394	4.6
91.02148	1.3
91.05487	24.5
93.06565	1.2
93.07060	13.7
95.04961	4.9
95.08620	20.5
96.05727	2.5
97.01079	1.4
97.06548	16.4
97.10197	1.6
98.98470	1.5
99.02703	8.4
99.08091	4.5
100.38046	1.2
101.04248	18.0
101.06001	2.3
103.97534	1.3
104.98311	2.0
105.07041	39.6
105.11072	1.0
107.08601	12.3
109.06535	5.9
109.10153	2.3
111.02695	5.3
111.08056	2.5
112.03458	14.8
113.04247	45.5
113.05985	1.8
114.05032	2.3
115.02137	3.6
115.07555	1.4
117.06990	1.3
119.08594	29.1
121.10150	21.0
123.08047	5.0
123.11718	31.7
127.02128	2.2
127.07548	1.7
129.03703	4.8
129.07008	2.4
130.04492	12.0
131.05290	2.7
131.08604	1.7
133.01387	4.8
133.10120	4.5
136.95428	2.2
137.13231	2.3
145.01439	12.9
145.10126	2.5
147.11702	73.4
157.10127	3.8
159.11758	1.5
160.47011	1.1
161.00911	1.1
163.02440	1.9
165.11386	2.3
165.12770	41.1
171.11653	1.2
175.11189	3.3
175.42227	1.1
176.98578	1.6
179.27962	1.1
183.13847	4.8
193.12216	2.3
194.99731	9.6
197.13255	1.0
229.14284	5.3
253.08594	2.2
267.15897	3.8
285.07584	3.3
285.12070	2.2
285.16946	42.0
285.21872	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01863	2.1
55.05303	1.2
55.05517	14.3
57.03183	1.8
57.03439	21.5
57.07073	1.3
58.99585	1.7
67.05506	34.1
69.06727	1.7
69.07071	21.4
69.67387	4.5
69.67799	2.8
71.04978	7.0
73.01151	2.4
73.06525	1.2
79.05496	23.3
81.03414	2.0
81.07062	100.0
83.04976	7.1
83.08622	10.1
85.06548	8.2
89.95322	1.2
90.01385	1.2
91.05489	27.4
93.07053	14.5
95.04954	3.5
95.08611	22.3
97.06530	8.2
97.10120	1.4
99.02689	1.5
99.08091	4.1
101.04232	3.5
101.06013	1.6
104.52034	1.3
105.06387	2.1
105.07041	37.8
107.08613	12.5
108.97170	1.4
109.06512	5.3
109.10168	2.0
111.08070	1.6
112.03419	1.2
113.04245	6.6
113.06025	2.3
119.07790	2.4
119.08590	30.5
121.10155	19.0
122.97470	1.1
123.08073	5.3
123.11716	30.3
127.07555	4.1
128.06310	1.3
129.07033	1.8
130.04491	1.7
131.08517	1.3
133.10147	2.9
137.13257	3.6
141.09122	1.3
142.07756	1.6
145.01422	1.8
145.10141	2.5
147.11696	81.1
157.10149	5.7
165.12766	40.4
175.11180	4.1
183.13797	4.9
187.14757	1.2
193.12221	3.1
194.99709	1.3
210.06886	1.3
229.14313	6.5
253.19110	1.1
267.15930	2.6
285.12198	2.0
285.16946	45.1
285.21887	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
53.72970	0.9
55.01872	1.6
55.05511	15.1
57.03181	1.7
57.03442	19.8
57.07069	1.0
58.99595	1.4
65.03938	1.8
67.05510	33.9
67.05874	1.8
69.03418	1.0
69.07074	21.5
69.43315	2.2
69.43726	5.0
70.03387	1.0
70.14240	0.9
71.04995	5.7
73.01152	2.3
73.72566	0.9
79.05499	16.6
81.07063	100.0
83.04996	6.7
83.08624	9.0
84.08177	1.0
85.06536	6.0
87.04432	0.9
90.01420	1.1
91.04907	1.2
91.05483	23.0
93.07058	11.9
95.04973	3.6
95.08613	19.5
97.06554	9.6
99.02705	1.9
99.08111	4.2
101.04282	1.8
101.06003	1.5
105.07039	33.4
107.08603	12.5
109.06534	6.3
109.10175	1.6
111.08076	1.8
113.04242	3.9
113.06055	1.5
119.08595	28.3
121.10152	18.5
123.08108	4.5
123.11719	28.7
127.07570	3.1
129.07021	2.7
130.04474	2.0
131.08562	2.2
133.01453	1.1
133.10158	3.2
136.11948	0.9
137.13261	2.7
141.09164	1.1
145.01434	2.2
145.10121	1.2
147.11700	75.2
157.10173	4.4
162.99768	0.9
165.12772	36.5
175.11194	4.9
183.13808	4.1
193.12227	2.9
229.14343	6.7
267.16022	3.8
285.16983	43.3
299.27344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01873	8.0
55.05266	1.3
55.05516	16.2
57.03192	1.4
57.03445	20.4
57.07066	3.2
58.99592	4.2
59.04987	1.4
61.01089	0.8
63.00052	1.0
65.03949	1.2
67.05510	36.6
69.03426	1.1
69.07074	24.3
69.98240	4.2
70.06567	0.8
70.92895	0.7
71.04990	4.8
71.38494	0.7
72.00365	0.8
73.01147	7.0
79.05497	21.5
81.03409	5.4
81.07065	100.0
83.04980	6.6
83.08630	11.3
84.08152	1.0
85.02891	2.4
85.06550	6.5
86.09698	1.2
87.02679	2.1
90.01399	2.5
91.05490	23.5
93.07050	13.7
95.04991	5.0
95.08619	27.6
97.06532	12.1
98.20866	0.9
99.02662	4.0
99.04443	1.6
99.08079	5.8
101.04264	7.2
101.06000	1.2
102.91866	0.9
103.97493	1.0
105.07039	34.7
107.08603	13.7
109.06530	5.4
109.10159	1.1
111.02652	2.5
111.08051	1.7
112.03452	6.2
113.04246	18.6
113.06010	1.6
114.04993	1.7
115.02164	1.0
115.05723	0.8
115.07549	1.1
116.98293	1.1
117.06994	0.9
119.08591	28.0
121.09307	1.7
121.10146	20.5
123.08098	5.2
123.11716	33.1
127.07535	2.8
129.03691	2.5
129.07008	2.1
130.04495	5.4
131.05295	2.3
131.08577	2.1
133.01390	3.7
133.10150	2.6
136.95480	1.6
137.09650	1.4
137.13252	3.3
141.09085	2.4
142.99815	0.9
145.01433	6.0
145.10126	1.9
147.11699	75.9
157.10161	2.5
161.00919	1.8
165.12775	44.6
175.11153	2.5
182.06375	1.4
183.13846	5.8
193.12202	4.7
194.99667	2.4
211.13239	3.1
229.14368	11.0
253.08601	1.6
257.04471	1.0
267.15924	9.1
285.07715	1.9
285.12158	2.0
285.16983	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
56.05024	0.9
57.03435	1.5
58.06596	2.3
58.45384	0.5
58.99581	2.6
61.01147	1.4
65.03951	0.6
67.05501	1.8
69.03426	0.9
69.07064	1.3
69.90764	1.3
69.91175	1.8
70.06596	54.0
71.06122	8.4
71.06915	0.6
72.04517	4.8
72.08131	0.7
76.02237	1.1
77.00638	8.3
79.05492	1.3
81.03424	4.0
81.07059	1.3
83.04977	0.7
83.08628	0.9
84.04503	1.4
84.08134	1.1
85.02883	0.6
86.06075	1.8
86.09704	1.0
91.05473	2.1
92.98330	9.0
93.07047	1.0
95.04981	0.9
95.08639	0.9
98.21499	0.8
100.07625	1.8
100.11278	0.8
102.03817	0.7
104.01662	0.9
104.98320	23.1
105.07046	1.1
110.00967	2.2
110.07185	1.7
111.02637	0.8
111.08110	0.6
111.09212	1.4
112.07613	19.4
114.03764	5.7
118.03252	20.2
130.03233	1.3
130.05064	0.7
131.04517	0.7
131.08537	1.0
133.01413	10.3
134.00938	1.7
139.02133	1.3
144.04816	3.9
147.05881	43.8
150.04050	3.4
152.01964	0.9
157.10199	0.6
164.01961	3.0
165.06967	0.7
182.06296	1.4
193.12250	2.4
201.05299	0.6
203.06743	1.1
204.05136	0.7
221.07790	100.0
222.08105	0.5
225.09204	1.8
229.04935	1.1
229.14354	0.7
253.08572	2.2
254.22606	0.6
257.04449	0.8
258.35764	0.5
267.11279	1.0
285.03955	4.2
285.07651	2.9
285.11652	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
57.07057	2.0
58.99590	28.2
59.96738	1.2
61.01145	4.6
62.99067	2.1
65.03943	3.5
67.05177	1.0
67.05510	12.2
68.06274	2.6
69.07072	48.0
69.84071	5.9
70.07838	2.3
72.00345	1.4
73.01142	29.1
79.05485	7.3
81.07060	3.3
83.04955	1.2
85.01086	2.4
87.02701	9.6
89.00603	2.1
90.01401	17.6
91.02173	4.5
95.04959	4.0
96.05743	8.8
97.01117	4.9
97.06536	32.7
98.21504	1.4
99.02689	22.3
100.03462	1.3
101.04250	50.9
102.96762	1.7
103.56597	1.1
104.98308	3.7
105.07012	1.3
105.99124	2.1
106.99881	2.9
110.93941	1.2
111.02677	13.6
112.02679	1.1
112.03459	31.6
113.04236	100.0
114.05035	8.1
115.02155	8.7
115.03962	1.0
115.05849	1.4
122.99313	1.8
127.02171	5.1
129.03712	15.1
130.04489	42.3
130.99844	1.3
131.05284	14.4
133.01419	26.7
136.95499	4.1
142.99860	3.1
145.01427	30.8
147.02974	2.0
154.96550	1.1
161.00926	4.3
163.02461	5.8
176.98607	4.2
194.99683	11.3
224.84357	1.2
245.95871	1.1
284.29620	1.2
285.01099	3.7
309.68961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.3
57.07061	8.4
58.99599	16.8
61.01151	2.5
63.00035	3.5
63.44552	1.9
65.03931	3.2
67.05508	14.1
69.07076	31.4
70.32508	8.6
73.01149	25.2
74.58430	2.0
79.05484	8.9
81.07049	9.1
83.04974	3.1
83.08610	3.1
83.42551	2.0
85.10170	2.4
87.02695	4.6
88.07669	2.5
90.01407	9.9
91.05520	2.5
93.07043	2.2
95.04967	2.7
95.08580	4.4
96.05717	5.0
97.01094	4.6
97.06556	19.3
98.98468	3.7
99.02692	12.3
101.04252	36.9
102.09133	2.3
104.98331	5.0
105.07041	4.8
107.08595	2.2
109.10085	2.3
111.02682	11.1
112.03458	31.0
113.04239	100.0
114.05009	6.9
115.02144	6.4
115.05798	2.4
127.02141	2.8
129.03691	13.0
130.04509	23.5
131.05251	7.7
133.01408	10.6
136.95471	3.8
142.99794	3.2
144.00612	2.3
145.01421	30.1
147.02921	3.2
163.02501	5.2
176.98730	2.4
194.99702	19.7
233.98436	2.2
266.82733	2.1
284.29514	27.9
285.18365	6.8
285.21420	2.5
285.24545	2.6
285.29776	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	285.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18081	1.3
56.47960	1.5
57.45527	1.4
58.99591	22.0
61.01150	5.1
62.99078	2.3
65.03956	3.8
67.05505	10.5
69.06716	2.6
69.07076	33.0
70.07879	1.7
70.97304	1.5
70.97626	3.1
73.01146	23.7
79.05500	6.5
81.07058	2.9
81.14458	1.2
83.01299	1.6
85.01099	2.5
85.06561	1.8
87.02716	4.1
89.00637	3.1
90.01405	13.1
91.02141	2.4
93.39422	1.6
95.04975	3.1
96.05769	6.6
97.01118	3.4
97.06535	26.4
99.02690	13.3
101.04252	43.4
103.97523	1.8
104.98322	4.0
106.99892	2.2
110.93974	1.9
111.02670	13.7
112.03461	38.7
112.04197	3.1
113.04241	100.0
114.05035	7.3
115.02167	5.9
116.98375	1.6
122.99391	2.1
127.02164	2.8
129.03705	12.3
130.03601	2.8
130.04497	31.6
131.05260	12.4
133.01422	14.8
136.95500	3.3
139.94165	1.4
142.99881	3.1
145.01408	30.9
145.02518	2.1
163.02513	5.6
168.69733	1.3
176.98640	3.9
194.99693	24.6
213.82672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01873	2.3
55.05511	6.9
57.03444	7.2
57.07052	2.1
58.99329	1.4
58.99594	19.6
59.96719	1.8
61.01141	3.6
62.99080	1.4
64.42878	1.3
65.03934	3.0
67.05515	18.6
67.14130	1.3
69.03411	1.7
69.07076	33.9
69.33041	1.3
69.73817	6.1
70.06583	1.9
71.04997	2.8
72.00390	1.6
73.01151	25.4
78.96741	1.3
79.05067	1.2
79.05500	15.1
81.03407	2.8
81.07068	32.5
83.04947	3.3
83.08616	3.0
84.04489	1.5
84.08138	1.3
85.01146	1.8
85.02922	1.8
85.06523	3.8
87.02689	4.2
89.00587	1.6
90.01413	9.8
91.02190	2.1
91.05495	7.7
93.07027	4.0
95.04966	5.2
95.08611	7.4
96.05748	6.3
97.01101	4.1
97.06542	26.2
98.20785	1.3
99.02694	16.2
101.04252	33.8
103.97519	2.5
104.98310	3.9
105.07033	10.4
107.08604	7.8
109.06477	2.1
109.10136	1.5
110.07143	1.4
110.93953	1.4
111.02689	14.0
112.03462	31.1
113.04243	100.0
114.05006	5.9
115.02171	6.3
115.05854	1.1
119.08591	9.4
119.11738	1.2
121.10179	6.8
122.99342	2.4
123.11733	8.5
127.02115	3.5
127.58735	1.5
129.03705	14.9
130.04498	32.3
131.05269	9.0
133.01418	14.4
133.10161	2.0
136.95505	3.0
142.99815	1.7
144.00580	2.2
145.00273	1.6
145.01431	30.8
145.10153	1.9
147.10646	1.9
147.11711	21.9
149.38585	1.2
161.00885	2.1
163.02444	5.3
165.07086	1.2
165.12767	9.1
169.58600	1.1
175.11154	1.8
176.98544	2.2
193.12296	2.2
194.99690	22.1
220.43617	1.2
229.14381	1.8
243.11214	1.2
267.15747	1.3
284.29550	2.6
285.12079	2.0
285.16898	13.7
285.21927	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	284.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79002	0.2
54.50521	0.2
56.96556	0.4
70.22632	0.4
70.23016	0.4
80.14262	0.2
82.99864	0.3
93.25738	0.2
98.97589	3.5
101.00896	1.8
116.98637	1.9
119.01926	6.4
134.99698	1.0
136.77724	0.2
137.02977	1.2
142.03459	0.2
153.00890	0.2
158.99864	1.1
175.02966	0.3
177.00966	13.9
178.01074	0.2
182.99922	0.5
193.04063	0.3
195.01889	0.2
201.00931	1.5
217.04083	2.8
218.94539	0.4
219.02022	20.6
220.02191	0.4
221.01828	0.4
225.00830	2.2
237.98788	0.8
242.03709	0.2
243.02008	7.1
260.00204	0.4
260.04541	0.3
261.03073	100.0
262.03180	1.6
263.03519	0.4
275.04678	1.1
276.04410	0.3
278.01230	0.3
279.00558	2.4
284.00089	0.8
284.04654	3.0
302.01114	1.5
302.05945	0.3
303.00931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01854	0.3
56.96575	1.2
57.03437	0.2
59.49367	0.2
70.06588	0.4
70.62805	0.3
70.63137	0.5
71.01348	0.2
79.05849	0.2
84.08132	0.3
85.02920	0.2
86.09696	0.3
93.74256	0.2
98.97556	0.4
109.05154	0.3
110.03539	2.6
110.07165	0.6
116.98592	0.3
128.04573	1.0
135.03020	5.5
136.06178	0.5
139.61391	0.2
152.05681	100.0
153.02867	0.4
153.04080	6.7
153.05980	0.4
154.02464	0.2
161.01204	0.3
163.82079	0.2
188.05931	0.3
189.04329	0.3
206.07011	0.3
224.08041	0.4
261.03076	0.3
284.10068	0.4
284.13297	0.2
302.12921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1281
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
53.03951	1.4
54.08012	0.2
55.01873	0.4
55.05497	0.3
55.50937	0.2
55.55993	0.2
65.03947	0.7
67.05487	0.3
69.07070	0.4
69.66574	0.3
71.56101	0.4
73.01140	1.0
79.05495	0.4
81.03425	0.3
81.07068	0.6
82.19257	0.2
86.09702	0.8
91.05484	12.3
92.05804	0.2
93.07050	10.0
95.04985	1.7
95.08551	0.3
103.05474	7.7
105.04511	0.6
105.07056	0.5
107.04986	0.3
109.10155	0.3
110.07192	0.3
111.04411	0.2
119.04951	19.6
119.08591	0.5
120.05249	0.3
121.06510	46.0
122.06846	0.5
127.06991	0.2
141.67984	0.2
147.04414	100.0
148.04732	0.8
164.07106	1.3
166.03134	0.3
200.66663	0.2
284.12808	17.8
284.24588	1.7
284.29489	0.7
294.75845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34548	1.2
55.01870	1.2
55.05511	2.2
57.07071	2.1
58.99328	1.5
58.99596	24.5
61.01146	4.7
62.99087	1.2
63.94433	1.3
65.03931	3.6
67.05510	12.4
68.06289	1.8
69.07076	38.2
70.07854	1.8
70.81220	1.8
70.81542	1.2
71.08624	1.7
72.00378	1.6
73.01153	26.5
75.02676	0.9
78.96796	1.3
79.05509	6.7
81.07060	3.3
83.04980	1.8
85.01130	2.4
85.06525	1.7
87.02706	6.7
88.11264	1.3
89.00646	1.6
90.01418	13.8
91.02183	3.1
95.04972	3.1
96.05753	6.3
97.01114	5.2
97.06548	26.7
99.02690	18.9
101.04254	44.8
103.97567	2.1
104.98322	3.2
105.99092	2.9
106.99912	1.5
110.93976	1.4
111.02684	13.6
112.03466	32.9
113.04247	100.0
114.05028	7.3
115.02158	7.5
119.08610	1.0
122.99387	1.6
123.91475	0.9
127.02151	3.4
129.03725	14.8
130.04492	33.0
131.05301	10.8
133.01427	17.5
136.95522	4.9
142.99855	3.5
144.00563	1.1
145.01422	30.9
147.02972	1.3
161.00948	3.6
163.02483	3.5
170.15422	2.9
176.98636	4.2
188.98582	1.6
193.12271	1.3
194.99712	17.5
198.14915	3.7
284.29456	1.5
285.01056	3.3
285.22073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15881	2.2
55.01874	8.9
55.05506	5.2
56.05036	6.9
57.07051	3.2
58.06602	57.3
58.99586	16.7
59.39522	2.3
60.04520	2.4
61.01147	15.9
65.03953	2.9
67.05500	6.1
69.05314	2.5
69.07059	5.0
70.06593	28.7
71.04964	3.8
71.54639	3.9
72.08170	13.0
73.01141	32.7
73.02916	10.0
74.00666	9.5
74.06059	3.7
75.73919	2.4
76.02221	7.2
78.96780	6.6
79.05488	3.5
81.07080	3.2
82.06575	5.8
82.07390	2.6
83.04967	2.6
84.04520	11.1
84.08146	20.5
85.02944	2.2
86.09209	4.7
86.09711	66.4
86.10239	3.7
86.99053	10.0
88.02231	3.1
88.04005	9.9
89.00624	4.9
90.03767	3.0
91.05506	2.9
93.07034	3.8
95.04971	3.9
97.08536	2.4
99.02715	17.3
102.05549	2.7
103.05503	2.8
104.98324	54.5
105.00100	6.7
105.07047	3.2
106.11214	2.4
106.99902	4.1
107.04985	3.4
110.07172	9.0
112.07612	5.4
114.03758	5.8
116.05338	23.1
116.07108	6.7
119.04965	3.7
120.01189	12.2
120.08121	7.9
121.10139	6.7
127.63023	2.5
127.71780	2.1
129.10233	7.6
130.06577	4.4
132.01125	2.2
136.07576	5.4
137.54088	2.4
142.06108	2.6
143.10750	2.6
143.11806	9.1
145.03207	49.6
147.04440	3.5
147.98882	3.3
157.13414	2.8
160.04298	7.5
162.05853	100.0
171.11343	3.1
174.09331	3.6
177.00371	4.1
180.06688	2.4
193.99403	9.6
194.03059	35.4
201.79982	2.9
202.05302	4.1
210.02327	4.1
219.08028	5.3
223.08600	4.9
239.11610	3.1
267.11346	2.9
284.10461	4.5
284.29446	12.6
285.12320	7.6
288.20380	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	284.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19820	1.3
58.06604	28.9
58.99580	4.1
61.01156	20.9
66.70568	1.2
67.05511	2.1
70.06583	4.9
70.68061	3.1
70.68391	1.5
70.99583	1.8
72.08152	5.6
73.01142	2.2
73.02923	13.7
74.00670	13.6
74.02440	1.5
82.06573	2.9
84.08141	8.5
86.09692	5.5
90.03764	2.7
104.98322	100.0
107.99416	3.9
110.07162	3.2
117.99603	1.4
120.01171	20.8
128.07080	2.6
129.10181	1.2
130.99829	4.3
136.97295	1.9
148.02495	3.9
151.50204	1.3
177.00394	8.4
194.03072	78.9
206.84720	1.3
272.31522	1.4
284.29105	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.05511	4.7
56.05044	0.9
56.96565	1.9
57.03442	1.7
57.07091	1.5
60.04533	1.0
61.01156	0.8
65.03946	3.4
67.05510	100.0
67.32111	0.5
69.03427	1.8
69.07079	3.0
70.06590	4.3
71.04998	9.4
71.53955	0.9
72.08155	2.0
73.01133	0.9
74.06100	1.1
74.99071	0.9
79.05510	2.5
79.43648	0.7
81.07066	13.0
83.08630	1.4
84.04532	2.4
84.08157	7.0
85.02916	1.7
85.06547	9.4
86.09737	2.1
88.04029	1.1
90.05589	0.8
91.05497	2.0
93.00121	1.1
97.02893	0.9
97.10186	1.3
98.97600	1.4
99.08056	1.0
102.96863	1.1
107.08605	2.0
109.10167	43.2
110.07176	1.6
111.83183	0.7
116.98621	1.0
119.04975	0.9
120.08108	1.4
120.86462	0.6
120.99603	2.3
121.02880	4.7
124.03947	0.7
125.08862	0.6
127.03954	0.8
127.11183	5.1
129.10275	2.7
136.06210	3.5
136.07616	4.4
136.08513	0.8
137.05820	1.5
137.06676	1.4
137.08044	0.9
142.07809	0.7
151.03868	0.8
156.97520	0.8
159.08441	2.8
162.06842	0.7
193.03351	1.0
194.03606	1.7
247.10011	14.1
265.11078	31.0
268.97687	0.9
283.12119	3.9
283.16690	2.5
285.01028	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	284.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15881	2.2
55.01874	8.9
55.05506	5.2
56.05036	6.9
57.07051	3.2
58.06602	57.3
58.99586	16.7
59.39522	2.3
60.04520	2.4
61.01147	15.9
65.03953	2.9
67.05500	6.1
69.05314	2.5
69.07059	5.0
70.06593	28.7
71.04964	3.8
71.54639	3.9
72.08170	13.0
73.01141	32.7
73.02916	10.0
74.00666	9.5
74.06059	3.7
75.73919	2.4
76.02221	7.2
78.96780	6.6
79.05488	3.5
81.07080	3.2
82.06575	5.8
82.07390	2.6
83.04967	2.6
84.04520	11.1
84.08146	20.5
85.02944	2.2
86.09209	4.7
86.09711	66.4
86.10239	3.7
86.99053	10.0
88.02231	3.1
88.04005	9.9
89.00624	4.9
90.03767	3.0
91.05506	2.9
93.07034	3.8
95.04971	3.9
97.08536	2.4
99.02715	17.3
102.05549	2.7
103.05503	2.8
104.98324	54.5
105.00100	6.7
105.07047	3.2
106.11214	2.4
106.99902	4.1
107.04985	3.4
110.07172	9.0
112.07612	5.4
114.03758	5.8
116.05338	23.1
116.07108	6.7
119.04965	3.7
120.01189	12.2
120.08121	7.9
121.10139	6.7
127.63023	2.5
127.71780	2.1
129.10233	7.6
130.06577	4.4
132.01125	2.2
136.07576	5.4
137.54088	2.4
142.06108	2.6
143.10750	2.6
143.11806	9.1
145.03207	49.6
147.04440	3.5
147.98882	3.3
157.13414	2.8
160.04298	7.5
162.05853	100.0
171.11343	3.1
174.09331	3.6
177.00371	4.1
180.06688	2.4
193.99403	9.6
194.03059	35.4
201.79982	2.9
202.05302	4.1
210.02327	4.1
219.08028	5.3
223.08600	4.9
239.11610	3.1
267.11346	2.9
284.10461	4.5
284.29446	12.6
285.12320	7.6
288.20380	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	283.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56825	2.4
51.70479	2.5
55.05503	4.4
58.99588	5.5
61.01138	12.0
65.03939	2.8
67.05480	3.6
67.88142	3.0
69.07070	29.9
69.58328	19.0
73.01129	11.1
78.96758	3.9
79.05479	8.4
81.07071	5.5
84.08130	4.3
93.07047	3.5
95.04992	3.9
95.08573	3.4
96.97824	7.4
98.97365	5.3
99.02676	4.5
104.98296	8.8
105.07008	2.8
106.97894	3.9
107.08592	4.5
111.02657	9.8
112.03443	26.8
113.04243	100.0
115.03786	4.1
121.10120	5.3
128.02892	7.4
130.99854	3.1
140.35649	2.9
145.01414	20.4
170.97659	9.2
192.98094	6.7
193.35114	2.7
214.72745	2.8
283.23981	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	282.2789
Annotation	Dodemorph
Peak:m/z	Relative Intensity
55.05524	1.0
57.07080	6.6
67.05504	0.8
69.07075	1.0
71.08266	0.3
71.08643	3.1
81.07079	1.1
82.96218	0.2
83.08630	0.7
85.10191	1.2
95.08619	0.8
97.10181	0.4
98.06102	0.6
104.56612	0.2
108.05076	0.2
123.19707	0.2
134.09663	0.5
139.96930	0.2
158.63521	0.2
163.97705	0.4
186.99333	0.3
282.27933	100.0
283.28299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.5
55.05516	3.2
58.99589	3.4
61.01142	6.8
61.24297	2.3
67.05499	4.4
69.07079	34.6
69.82549	14.3
73.01141	6.4
79.05484	11.9
81.07062	4.6
81.43501	2.1
83.35830	2.3
85.01175	3.1
89.66516	2.8
95.04985	2.7
97.01105	6.0
99.02674	5.8
104.98309	7.9
106.97885	2.4
109.10205	2.4
111.02663	11.0
112.03458	28.9
113.04244	100.0
121.10172	3.8
129.03749	3.4
142.99883	3.0
145.01418	27.1
168.98132	2.6
170.97734	3.4
175.97823	5.9
176.98654	3.2
177.08852	4.5
192.73494	2.4
209.01312	3.7
260.64072	2.7
283.24457	2.4
301.63367	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03955	9.6
54.48560	1.6
55.01874	6.3
55.05263	2.5
55.05513	37.5
57.03443	31.3
57.07078	3.1
58.99574	4.6
65.03939	6.7
67.05509	97.9
69.03444	1.9
69.07071	20.6
69.57612	3.0
69.58022	11.0
71.04997	4.6
72.08127	2.2
73.01136	3.5
73.06571	2.5
78.96776	1.6
79.05499	100.0
81.03425	11.9
81.06582	3.6
81.07062	72.7
83.04990	33.4
83.08635	10.9
85.06569	4.1
86.09705	1.8
91.05485	70.5
93.07053	76.5
95.04971	28.8
95.08618	44.2
97.02876	2.4
97.06560	12.3
97.10187	4.9
99.02652	2.2
104.98299	3.5
105.07041	45.0
107.04925	8.5
107.08605	24.5
109.06531	10.8
109.10160	10.7
111.02676	3.6
112.03460	4.4
113.04254	25.4
116.98282	3.3
117.07021	9.9
119.08593	35.6
120.08121	2.0
121.06522	5.1
121.10159	5.3
123.08079	10.6
127.07546	2.7
128.06238	3.1
129.03741	4.0
129.07016	17.3
130.07768	2.3
130.99965	2.0
131.08577	3.5
133.06552	2.0
133.10139	15.7
135.08049	2.1
135.11716	4.1
137.09712	2.4
142.99876	4.5
143.08617	12.3
144.00612	2.2
145.01418	3.1
145.10156	13.1
147.08041	3.2
147.11700	48.8
149.09726	1.8
150.02626	2.2
156.09328	1.9
159.11708	1.8
161.09644	5.5
161.13264	19.2
165.09192	1.9
168.98073	1.8
171.11707	32.0
189.12740	14.3
203.04938	2.1
207.13748	12.8
242.82820	1.6
263.16464	2.6
266.99744	2.4
274.01996	1.6
281.17474	43.4
283.03055	2.1
299.06213	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03941	15.6
55.01868	8.9
55.05513	35.1
57.03440	33.8
65.03950	6.2
66.05539	2.4
67.05510	92.9
67.50175	2.5
69.07075	26.6
69.44301	21.4
71.04998	6.0
73.01146	3.3
79.05498	100.0
81.03419	15.7
81.07062	83.4
83.04993	38.4
83.08630	13.7
84.19528	2.9
85.06538	3.5
91.05487	79.2
93.07053	95.0
95.04977	32.0
95.08611	45.2
95.09173	5.4
97.06519	14.6
97.10176	5.6
98.21475	3.9
105.07036	67.1
106.75041	2.7
107.04964	6.5
107.08600	28.6
109.06550	13.3
109.10178	16.7
117.07007	13.0
119.08581	49.6
121.06532	7.4
121.10140	9.3
123.08060	12.4
123.11608	2.8
125.05953	2.5
127.07566	3.7
128.06255	5.2
129.07028	21.5
131.08568	6.7
133.06522	4.3
133.10150	19.5
135.08087	4.2
135.11627	3.5
137.05917	2.7
143.08577	15.8
145.10143	16.2
147.08066	23.2
147.10521	3.2
147.11690	56.3
149.09642	3.8
150.02650	3.2
151.07576	3.4
156.09346	2.8
161.09636	6.9
161.13248	16.6
163.11142	4.0
165.09097	15.6
171.11717	31.9
181.12157	2.9
189.12817	15.3
207.13840	12.8
217.15866	6.7
235.16943	3.9
253.17978	8.9
263.16473	8.3
267.04230	2.8
281.17322	49.0
299.06183	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	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
55.01864	4.8
55.05262	2.1
55.05514	34.0
57.03441	33.7
57.07065	2.6
65.03934	6.6
67.05506	92.8
69.03418	4.5
69.07069	20.4
69.34207	9.5
69.34608	2.6
70.06580	1.8
71.04984	4.9
73.06554	1.4
79.05497	100.0
81.03424	16.0
81.07063	64.9
83.04989	33.0
83.08618	10.9
84.04515	1.8
84.08130	3.6
85.02892	1.7
85.06545	6.1
86.09701	1.9
91.04899	2.4
91.05481	67.4
93.07045	79.8
95.04975	28.1
95.08613	41.9
97.06542	6.7
97.10168	4.7
99.08077	1.4
100.11323	1.3
103.05474	1.8
105.04504	1.8
105.07037	58.7
107.04945	6.5
107.08595	23.5
109.06520	9.2
109.10172	8.9
111.08070	2.0
113.04220	2.0
113.06010	1.4
114.09167	3.1
117.07021	11.7
119.07793	2.4
119.08588	32.4
121.06479	6.6
121.10155	5.2
123.08091	7.7
127.07555	3.5
128.06244	2.7
129.07022	15.8
131.08569	4.1
133.06435	1.3
133.10127	13.8
135.08041	5.4
135.11688	4.2
143.08563	11.1
145.10098	11.4
147.08058	2.3
147.11697	41.8
151.02946	2.1
159.08043	1.4
159.11713	2.5
161.09601	5.7
161.13255	16.5
163.11153	2.3
171.11705	31.0
182.15567	1.5
189.12733	13.7
197.13190	1.3
207.13792	10.7
224.84013	1.2
259.57916	1.2
266.99905	1.4
281.17450	36.1
281.22595	3.5
283.03317	1.4
299.06122	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	281.1133
Annotation	Asp-Phe
Peak:m/z	Relative Intensity
51.22695	0.4
55.05508	0.9
56.05029	1.0
60.45078	0.4
67.05486	1.0
69.03413	0.7
69.07074	0.8
69.70377	2.4
70.02953	5.0
70.06586	1.9
70.88314	0.4
72.08157	3.1
73.04749	0.6
79.05500	1.3
84.04491	2.9
84.08147	4.2
86.09697	2.2
88.03994	29.2
91.05472	19.1
93.07037	1.5
95.08598	0.6
97.18080	0.5
98.02422	0.5
98.97642	0.5
103.05461	9.3
105.07104	0.6
107.04948	2.7
107.54103	0.4
118.06503	0.5
120.08107	100.0
121.06461	0.5
121.08469	0.8
122.07190	0.4
123.07887	1.2
129.06934	0.8
129.10258	1.8
130.06543	7.1
130.08679	0.7
131.04929	3.5
136.06261	0.7
136.07561	0.9
139.54013	0.4
144.08093	3.2
145.06482	0.7
147.09166	1.1
149.05951	2.7
150.05501	1.0
150.07805	0.6
151.02783	0.8
152.07030	0.7
154.06537	1.1
157.06526	2.2
166.08643	41.7
172.07629	4.4
175.08675	13.5
182.06018	3.9
189.10217	0.8
190.08597	2.2
190.84334	0.6
191.03992	0.7
200.07065	15.6
200.08852	0.9
203.08276	0.8
217.09758	2.6
218.08122	1.8
221.09222	9.9
227.11826	0.6
228.06442	1.1
235.10765	14.7
243.83806	0.5
245.09204	1.3
245.12904	1.1
246.07626	11.0
263.10303	3.4
263.14359	2.3
266.99921	1.4
281.11151	4.5
281.14963	0.9
283.03082	1.6
289.04562	0.5
299.06171	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	280.2637
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.03928	1.3
53.13586	0.4
55.01881	0.4
55.05518	14.1
56.05045	6.6
57.03434	0.8
57.06826	0.5
57.07080	6.3
58.02978	1.9
58.07398	0.6
60.04531	2.5
62.06087	1.9
62.08144	0.3
65.03943	1.0
67.05511	21.3
68.05038	3.5
68.05814	1.1
69.03425	1.7
69.07074	13.3
71.04965	0.6
71.08632	2.1
71.33466	0.4
71.55376	0.6
72.04503	1.4
74.06090	0.8
79.05070	0.9
79.05502	13.1
80.05019	2.4
81.03421	2.2
81.07064	18.1
82.06590	7.5
82.07385	1.3
83.04977	1.5
83.07341	0.5
83.08624	7.4
84.04490	0.7
84.08134	0.9
85.02888	0.5
85.10183	1.2
86.06074	2.9
91.05488	7.9
93.07063	7.6
94.06580	4.3
95.04962	1.5
95.07327	0.8
95.08615	12.5
96.08145	2.4
96.08937	1.4
97.02882	0.6
97.06535	0.9
97.10175	4.1
98.06065	2.3
100.07625	2.3
105.07040	3.4
107.08607	3.9
108.08116	1.2
109.10178	4.4
110.09712	0.7
111.11718	1.1
112.07603	1.4
113.09645	0.6
119.08605	2.9
121.10164	3.6
122.09647	1.6
123.08083	0.4
123.11694	1.1
126.09106	0.5
131.77853	0.4
133.10147	2.5
135.08047	1.2
135.10658	0.4
135.11665	1.9
136.11215	0.6
137.13304	0.7
140.10683	0.7
147.11705	1.2
149.02341	4.2
149.13266	0.7
150.02675	3.9
154.12296	0.6
184.84010	0.4
245.22742	0.7
250.25298	6.8
250.70879	0.4
262.25339	4.0
263.23877	0.4
280.26364	100.0
281.26550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1295
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
55.05518	2.0
56.05030	3.5
56.40840	1.3
56.96562	2.0
57.03477	1.4
57.07072	1.9
60.04519	1.7
61.01144	1.7
67.03870	1.3
70.02960	21.5
70.06595	8.8
70.94147	3.7
72.06103	1.4
72.08158	4.4
74.00695	1.5
74.53251	1.3
76.38260	1.5
77.03953	1.3
79.05505	4.9
79.54308	1.4
81.03445	2.0
84.04490	3.2
84.08160	9.4
85.02939	1.6
86.09708	8.8
87.05601	59.4
88.04002	3.6
89.20159	1.4
91.05489	96.2
98.02406	3.8
98.97589	3.0
103.05476	35.7
104.05358	2.5
107.04971	14.1
110.07167	2.5
114.05473	1.6
116.07073	4.0
116.98766	1.7
120.08115	95.9
123.07955	3.0
129.07011	5.5
129.10240	5.7
130.06528	13.1
131.04942	14.5
131.05846	2.1
132.08107	1.6
132.68692	1.7
136.07603	2.4
144.08087	4.7
145.06483	3.3
147.09183	5.2
149.02371	15.1
149.05998	6.9
150.02701	14.9
154.06506	4.9
157.06502	13.5
157.07646	3.0
166.08653	32.0
172.07585	22.0
175.08690	65.0
182.06020	31.4
189.10297	1.9
192.10257	1.7
193.04260	3.0
200.07089	100.0
203.08228	5.5
217.09775	8.7
221.09233	54.1
221.11380	3.0
228.06601	6.2
234.12447	15.0
245.09224	14.1
246.07640	75.4
262.11697	2.4
263.10303	27.4
280.12753	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	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03944	2.4
53.79956	0.8
55.01864	2.2
55.05515	11.5
56.65459	1.0
57.03438	1.8
57.07084	36.1
65.03933	3.9
67.05512	59.2
69.03430	6.6
69.07076	13.4
70.87690	2.2
71.04980	2.9
71.08641	22.3
79.05067	1.1
79.05506	18.8
81.03426	8.2
81.07066	67.1
82.06564	1.1
83.04992	5.5
83.08633	8.5
84.08158	1.2
85.06543	2.1
85.10194	17.8
91.05492	12.2
93.07063	14.7
95.01321	1.5
95.04952	3.5
95.08616	51.8
97.02910	7.5
97.06537	2.4
97.10184	4.6
97.43659	1.1
98.97575	1.4
99.08102	12.3
103.05488	1.0
105.07051	8.9
107.04982	4.8
107.08605	8.9
109.06549	1.6
109.10162	18.9
111.04449	3.5
111.08070	2.4
111.11742	1.1
113.09666	14.5
117.07001	2.2
119.08575	4.3
121.02837	5.6
121.10168	8.4
123.08105	1.7
123.11739	8.4
125.09605	1.2
129.05449	2.3
131.08554	4.4
133.06508	2.2
133.10159	10.0
135.08052	2.3
135.11681	5.8
137.13254	6.5
145.10118	3.2
147.11684	8.8
149.02361	100.0
149.09584	3.6
149.13217	6.1
150.02702	1.5
151.11180	1.5
151.14821	3.8
153.12727	1.6
159.11699	2.5
161.13245	1.9
163.11235	2.3
163.14780	3.0
165.12743	3.8
167.14336	2.5
173.13278	3.7
177.12749	1.5
181.15891	1.5
187.14859	1.6
205.08664	1.1
209.15358	2.9
219.05672	2.0
223.16913	1.4
243.21109	3.8
261.22031	6.9
279.09351	3.2
279.12134	1.9
279.23178	75.8
280.23615	1.4
280.26303	5.1
290.73227	1.0
299.70035	0.9
300.79001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
53.79956	0.8
55.01864	2.2
55.05515	11.5
56.65459	1.0
57.03438	1.8
57.07084	36.1
65.03933	3.9
67.05512	59.2
69.03430	6.6
69.07076	13.4
70.87690	2.2
71.04980	2.9
71.08641	22.3
79.05067	1.1
79.05506	18.8
81.03426	8.2
81.07066	67.1
82.06564	1.1
83.04992	5.5
83.08633	8.5
84.08158	1.2
85.06543	2.1
85.10194	17.8
91.05492	12.2
93.07063	14.7
95.01321	1.5
95.04952	3.5
95.08616	51.8
97.02910	7.5
97.06537	2.4
97.10184	4.6
97.43659	1.1
98.97575	1.4
99.08102	12.3
103.05488	1.0
105.07051	8.9
107.04982	4.8
107.08605	8.9
109.06549	1.6
109.10162	18.9
111.04449	3.5
111.08070	2.4
111.11742	1.1
113.09666	14.5
117.07001	2.2
119.08575	4.3
121.02837	5.6
121.10168	8.4
123.08105	1.7
123.11739	8.4
125.09605	1.2
129.05449	2.3
131.08554	4.4
133.06508	2.2
133.10159	10.0
135.08052	2.3
135.11681	5.8
137.13254	6.5
145.10118	3.2
147.11684	8.8
149.02361	100.0
149.09584	3.6
149.13217	6.1
150.02702	1.5
151.11180	1.5
151.14821	3.8
153.12727	1.6
159.11699	2.5
161.13245	1.9
163.11235	2.3
163.14780	3.0
165.12743	3.8
167.14336	2.5
173.13278	3.7
177.12749	1.5
181.15891	1.5
187.14859	1.6
205.08664	1.1
209.15358	2.9
219.05672	2.0
223.16913	1.4
243.21109	3.8
261.22031	6.9
279.09351	3.2
279.12134	1.9
279.23178	75.8
280.23615	1.4
280.26303	5.1
290.73227	1.0
299.70035	0.9
300.79001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	1.1
55.05511	7.8
57.07071	4.7
57.57551	1.1
65.03938	3.5
67.05509	98.6
69.07075	9.1
71.04967	1.5
71.15912	1.3
71.16236	1.3
77.84540	1.1
79.05502	10.6
81.07060	100.0
83.08614	4.2
85.39914	1.1
90.57832	1.0
91.05493	4.0
93.07035	10.1
95.08614	68.7
97.06534	1.7
97.10165	3.4
105.07014	2.8
107.08598	4.8
109.10163	41.4
119.08602	2.1
121.02840	1.3
121.10146	6.0
123.08055	1.0
123.11707	25.5
131.08580	3.4
133.10136	2.4
135.11703	3.7
137.09631	1.1
137.13264	9.2
145.10152	1.7
147.11670	2.4
149.02359	26.7
149.13292	2.0
151.11238	1.7
151.14850	2.5
157.56657	1.0
161.13243	1.5
163.11154	1.0
173.13278	2.0
177.12787	1.2
181.12271	1.4
187.14888	2.2
191.14272	1.2
195.13835	1.2
209.15321	1.6
219.05670	3.3
223.16870	2.6
243.21225	1.9
261.22141	3.9
279.09421	2.4
279.20303	2.2
279.23206	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03941	1.2
55.05512	9.3
57.03440	0.9
57.07079	5.2
65.03940	2.7
66.52206	0.5
67.05508	96.9
69.07069	10.6
70.65601	1.6
71.04997	1.1
71.08627	1.8
79.05496	13.7
81.07062	100.0
83.04980	0.6
83.08619	6.0
85.06549	1.3
85.10189	0.6
89.19247	0.5
91.05460	4.8
93.07051	13.6
95.04972	0.7
95.08614	81.2
97.02908	0.6
97.06528	1.2
97.10199	2.6
99.08096	0.6
105.07037	4.2
107.08601	9.1
109.06536	1.2
109.10163	45.0
110.10539	0.6
111.11671	1.3
116.48509	0.5
117.07028	1.3
119.08589	3.5
121.06595	0.7
121.10139	6.5
123.08106	1.3
123.11718	24.7
125.09598	0.6
127.07561	1.1
131.08594	3.7
133.10139	3.1
135.08057	1.4
135.11707	5.3
137.09604	0.9
137.13264	10.7
137.75249	0.6
141.09041	0.7
145.10103	3.5
147.11702	2.1
149.01143	1.0
149.02344	17.5
149.03493	1.1
149.09578	1.4
149.13297	2.2
151.11188	0.9
151.14830	3.6
153.09100	0.7
159.11676	2.8
161.13252	1.8
163.11185	1.7
163.14816	1.7
165.12781	1.5
167.10718	0.6
173.13272	2.9
177.12773	1.7
177.16373	0.7
179.14352	1.0
181.12245	1.8
187.14799	2.9
191.14316	1.0
195.13815	1.9
205.15781	1.0
209.15341	2.9
219.21127	0.7
223.16931	2.6
237.18454	1.9
243.21031	2.2
261.22110	4.2
279.19919	2.1
279.23199	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.38364	0.4
57.07074	2.6
65.03946	0.4
68.57765	0.4
69.07064	1.0
69.57260	1.9
69.57672	0.7
70.06580	0.4
72.08145	0.4
82.46071	0.4
84.08133	0.7
86.09709	100.0
98.20801	0.5
103.05466	2.5
120.08111	39.9
121.02880	0.5
131.04929	0.6
149.02350	16.7
149.05872	0.4
165.39014	0.4
166.08644	8.4
191.08563	0.7
219.08083	1.5
233.16476	1.0
247.07562	1.1
251.10710	0.5
264.07877	0.7
279.10211	1.8
279.17093	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	279.1706
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
50.32657	0.2
52.94107	0.2
54.05489	0.2
55.01879	0.3
55.05502	0.3
56.05024	0.2
57.07079	3.3
58.98328	0.2
61.01146	0.4
65.03928	0.3
67.05502	0.3
69.07056	0.8
70.06587	1.8
71.55132	0.3
72.08150	1.0
74.00683	0.2
79.05482	0.2
84.04496	0.3
84.08125	1.6
86.09711	10.4
86.10242	0.5
89.68745	0.2
91.05475	1.2
93.03402	0.3
93.07050	1.9
95.04990	0.4
95.08605	0.3
96.52607	0.2
103.05476	5.7
105.07030	0.4
107.01632	0.3
107.04955	0.5
110.07156	0.9
116.07096	0.7
117.06967	0.3
119.04934	0.6
120.08109	100.0
121.02858	0.9
121.08418	0.7
124.07591	0.3
129.10246	1.0
130.05054	0.4
130.10608	0.2
132.10201	3.0
136.07573	2.1
138.06361	0.3
145.06537	0.4
149.02350	24.3
159.07901	0.2
167.03407	0.4
191.08348	0.4
205.08762	0.2
217.05034	0.2
233.09355	0.2
233.16518	2.3
247.07684	0.2
251.10429	0.4
265.72269	0.2
279.10379	0.4
279.17050	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	279.1705
Annotation	Leu Phe
Peak:m/z	Relative Intensity
55.60368	0.3
57.05809	0.4
57.07079	1.4
58.06599	0.3
58.08427	0.2
63.95197	0.2
66.97362	0.2
67.05502	0.4
69.07073	12.7
69.63262	1.3
70.06583	0.9
72.08172	0.3
74.00617	0.2
81.07067	0.3
84.04512	0.3
84.08133	1.0
85.02897	0.3
85.04028	0.3
86.09711	100.0
87.10032	0.4
91.05494	0.5
94.03672	0.2
95.04940	0.3
95.08617	0.3
102.48770	0.2
103.05494	0.6
107.04983	0.3
119.04962	0.2
120.08112	12.8
121.02879	1.0
128.13617	0.3
129.10313	0.8
136.07628	0.7
149.02359	12.6
166.08646	4.7
167.03441	0.3
177.05482	0.3
186.22432	0.2
188.07199	0.3
233.16429	0.5
251.10313	0.5
259.47992	0.2
272.46838	0.3
279.10080	0.3
279.17038	2.6
282.50455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03944	1.1
55.05511	10.4
56.24104	0.5
57.03453	0.9
57.07073	4.1
65.03949	2.9
67.05507	99.1
69.07069	9.8
70.93478	1.4
71.05002	1.4
71.08632	1.0
79.05495	14.8
81.07060	100.0
83.04987	1.4
83.08615	5.8
83.76987	0.5
85.06538	1.4
91.05477	4.5
93.07050	14.4
95.04982	0.5
95.08610	88.6
97.06525	2.0
97.10184	3.9
105.07042	4.6
107.08596	9.5
109.06536	1.1
109.10161	47.0
111.08085	1.0
111.11684	1.2
117.07021	1.7
119.08593	3.8
121.02883	0.7
121.10142	8.5
123.08063	1.5
123.11712	26.7
125.09630	0.8
128.74590	0.5
131.08580	3.2
133.10120	2.7
135.08049	1.4
135.11716	5.6
137.09586	1.1
137.13254	10.2
139.11224	0.7
141.49669	0.5
145.10117	3.1
147.11713	2.7
149.02359	14.6
149.09613	2.1
149.13271	3.2
151.11206	1.0
151.14774	3.0
158.03325	0.6
159.11700	2.4
161.13208	2.4
163.11165	1.8
163.14819	2.1
165.12749	1.3
165.16403	0.8
167.10658	1.3
173.13249	3.3
175.14777	1.2
177.12759	1.5
177.16399	1.2
179.14337	1.0
181.12276	2.1
182.17668	0.5
187.14792	3.4
191.14281	1.3
195.13802	2.1
201.16505	0.6
205.15871	0.8
209.15402	3.2
219.21004	1.0
223.16931	2.9
237.18518	1.4
239.64870	0.5
243.21046	3.0
261.22205	4.5
279.09409	0.7
279.19962	2.3
279.23187	43.1
280.23523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.2
56.96574	1.9
57.07077	5.5
62.68697	0.5
65.03953	0.6
67.05484	0.6
70.06596	48.3
70.12823	1.0
70.13232	1.7
72.08164	1.3
74.00668	26.9
74.06108	1.2
78.96782	0.7
81.35715	0.5
83.05007	0.6
83.06113	1.4
83.59993	0.5
84.04504	5.2
84.08144	2.6
85.02914	0.9
86.09706	1.3
88.03964	1.1
91.05485	29.0
98.97589	14.0
106.43510	0.6
107.01666	0.8
107.04964	0.9
109.07633	0.9
110.07155	1.7
110.97565	3.9
111.04565	0.5
114.05537	4.9
116.07099	98.5
116.98633	6.4
117.05701	0.6
118.06550	1.5
119.04089	1.2
119.04951	18.4
120.08116	0.7
121.02861	1.8
121.06499	1.4
122.00959	18.8
128.98611	2.9
129.06628	1.1
129.10260	0.7
130.04982	1.3
131.09305	0.6
134.99657	2.3
136.07585	100.0
141.10229	0.7
143.00221	0.6
143.99295	0.6
146.99686	1.8
147.04436	3.8
148.04256	0.6
149.02351	38.9
155.08179	2.1
158.99667	4.7
167.03491	1.2
167.07367	0.6
170.99677	1.8
177.00734	6.8
178.36606	0.6
181.06184	0.8
189.00713	4.4
192.01442	0.8
199.07133	0.6
200.07964	0.7
207.01822	2.0
215.13892	0.8
219.01772	1.2
221.09332	0.6
234.10962	0.6
236.99205	0.8
237.02873	1.3
259.70560	0.6
262.10748	3.5
279.04709	4.2
279.13416	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	279.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97692	4.9
53.58656	4.3
56.96572	9.6
59.96233	4.6
64.06067	4.9
66.08027	4.5
71.28957	6.7
75.96173	5.5
76.96458	4.4
85.67701	4.8
96.76931	4.4
98.97592	100.0
110.97574	14.8
116.98632	45.5
117.27288	4.9
128.98616	19.4
134.99673	18.1
146.99670	6.0
149.02483	4.7
158.99667	42.6
170.99644	14.3
177.00722	46.5
189.00723	23.5
207.01749	15.9
219.01695	7.2
237.02867	6.2
279.04846	60.7
284.41528	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	277.0322
Annotation	selenoneine
Peak:m/z	Relative Intensity
55.27552	13.2
61.64501	13.2
69.87234	65.9
69.87650	32.1
77.69315	14.1
98.21442	16.3
211.45578	16.7
220.72220	18.1
277.03531	100.0
277.06332	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.9498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96332	0.4
56.96569	4.5
69.57369	2.4
69.57779	0.7
71.95246	0.7
88.03984	0.5
97.02877	0.7
98.21466	1.0
98.97593	14.1
99.97861	0.5
102.00995	0.4
102.96836	0.4
113.82637	0.4
114.95567	0.5
116.97825	0.6
116.98637	11.3
119.01949	2.9
120.02000	1.4
132.96657	0.6
134.99664	3.9
137.02948	1.0
138.03018	0.7
140.00262	0.5
142.03467	1.1
144.01999	0.6
153.00626	0.7
161.02974	0.6
162.03030	2.0
162.04321	0.5
174.97615	4.9
176.90204	0.8
177.00861	0.6
178.00992	0.5
184.98338	0.5
186.95627	0.4
188.53174	0.5
192.98744	3.2
194.91148	4.3
197.00545	2.5
212.92155	15.7
215.01680	0.8
218.91341	1.5
227.90974	0.8
230.93243	14.9
234.99933	0.7
236.92085	3.5
237.03729	0.7
237.98959	0.4
244.95268	0.5
245.92137	1.5
248.94466	4.5
250.92609	0.5
251.89343	0.5
251.94456	0.6
251.99051	1.1
254.93306	24.9
256.96683	1.1
258.96225	0.9
260.00034	0.6
263.29758	0.6
263.50201	0.7
263.93704	2.3
270.91315	0.9
272.94415	100.0
273.41345	0.6
273.94638	1.5
277.94971	2.0
278.01004	1.3
278.08008	2.5
278.42679	0.4
284.92636	0.5
286.96085	1.6
288.92273	0.7
290.95462	48.3
292.95834	0.6
295.95929	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	276.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.3
56.05037	9.7
56.96570	41.0
57.03427	2.8
58.48723	1.3
60.04532	22.3
60.05639	5.0
61.93792	1.5
68.05027	3.0
69.03433	4.5
69.04571	1.6
69.07063	9.3
69.81911	7.4
70.02972	1.5
70.06597	28.9
70.98120	1.5
71.04966	1.4
71.95300	1.6
72.08160	41.2
72.93810	2.3
74.06088	19.5
74.97592	2.5
75.05606	14.6
81.03428	1.8
82.06599	1.4
83.06106	7.6
84.04507	16.8
84.08149	92.8
84.96030	4.3
85.02905	5.9
85.08476	3.2
86.06055	2.9
86.09712	100.0
87.05601	3.4
88.03986	3.7
88.93743	4.6
90.94843	1.9
97.02882	5.3
98.09682	1.6
98.97588	13.7
101.10783	2.6
102.00953	1.7
102.05557	3.8
106.05013	3.9
108.25163	1.5
109.02913	1.8
110.07159	4.7
110.97595	1.3
111.09181	1.5
112.08729	2.4
112.11284	1.6
113.07133	5.6
115.08675	2.7
116.07064	4.1
116.90935	1.8
116.98622	9.3
117.06600	1.8
118.08659	14.7
119.01904	3.8
120.01980	3.0
120.08125	10.1
125.01707	2.1
126.92905	1.3
127.03950	2.8
128.98616	4.0
129.10251	29.8
129.93932	2.4
130.05020	2.7
130.08650	10.2
131.00072	2.5
131.01932	2.4
131.08179	23.4
132.10196	4.6
134.99673	5.5
136.07602	3.6
137.05963	1.8
143.11798	72.6
144.10298	1.5
144.98114	1.5
145.06100	4.7
146.97884	14.7
146.99640	3.3
147.11266	5.6
147.95007	1.8
157.09674	2.0
158.09271	3.7
158.99660	3.2
159.03255	1.7
159.07651	19.2
159.11313	12.2
161.03020	2.5
162.03093	1.8
162.99129	1.7
163.07109	1.5
164.93098	3.1
164.98969	20.5
165.00551	2.3
171.11310	15.1
175.10638	2.2
175.11920	5.6
177.00647	2.9
182.03273	1.9
183.00018	6.3
187.10762	2.7
188.98918	7.6
189.00560	2.7
189.12360	2.5
201.12372	1.5
203.05803	1.4
205.11896	7.9
206.95982	2.1
206.97960	3.0
207.00021	11.6
229.99394	2.8
230.13800	3.8
234.99428	15.2
240.13414	2.5
252.02187	1.8
253.00555	19.4
258.14554	15.7
259.12756	2.0
276.07535	1.5
276.11246	2.7
276.16885	20.8
276.19360	2.4
292.95923	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.48983	3.4
55.01871	8.5
55.05520	20.1
56.01910	3.0
57.03430	9.4
57.07073	4.9
65.65132	3.2
67.05516	28.4
69.07075	10.4
70.06582	3.8
71.04987	2.7
71.08624	2.8
74.59952	3.0
79.05499	32.9
81.07060	32.7
83.08636	6.1
85.06544	5.7
88.07661	4.7
90.60060	2.6
91.05484	54.7
93.07043	28.2
95.08606	21.7
97.06546	12.6
103.05450	4.3
105.07034	63.9
106.18249	2.8
107.04947	8.1
107.08585	19.4
109.06515	4.8
109.10168	10.1
113.04241	5.9
117.07036	12.2
119.08579	42.7
119.09351	3.6
121.06509	3.6
121.10167	8.6
125.09620	3.7
130.04587	2.9
131.08582	23.2
133.10141	40.8
135.08086	3.1
135.11716	3.6
145.01466	5.8
145.10170	13.3
147.11696	23.3
147.32457	3.3
149.09631	14.0
157.10165	3.7
159.11739	11.2
161.13252	4.2
173.13232	7.3
183.11691	4.7
185.13297	4.3
187.14961	3.1
203.14336	4.7
219.17445	22.7
231.11620	3.3
245.13235	8.1
257.19089	8.4
275.05142	3.2
275.20172	100.0
275.27823	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92840	0.8
54.90197	0.9
65.85170	0.8
67.05489	3.0
69.07090	1.0
70.06829	3.4
70.07208	1.6
78.96770	2.6
79.05495	4.1
79.28020	0.8
79.59728	0.9
80.05016	1.1
81.07045	2.0
82.67558	0.8
83.08624	0.9
84.04487	1.4
84.08176	1.1
84.46474	0.9
91.05495	6.2
92.05815	1.0
93.05799	1.3
93.07043	5.1
94.06555	3.1
95.04978	1.9
95.08597	1.3
98.21439	1.4
98.85536	1.0
103.05486	2.6
104.04973	1.4
105.07031	3.6
106.06532	2.7
107.07337	1.7
107.08578	1.6
108.08134	2.0
111.02694	2.2
118.06544	18.8
118.07352	1.6
119.07333	4.1
119.08568	1.7
120.08118	20.8
120.08942	2.2
126.03714	1.0
133.10170	2.5
134.06026	1.9
136.02180	3.1
136.07553	2.5
138.03732	1.4
138.09131	3.0
146.06007	3.5
147.06798	1.6
147.11664	1.4
150.03734	41.1
150.05537	4.1
151.04524	17.1
152.04250	1.1
152.05325	12.2
153.05991	1.1
164.07082	100.0
165.07869	54.8
169.07797	1.0
178.03329	1.1
179.04008	15.6
182.01076	1.1
182.02710	2.0
184.02493	5.3
194.02705	2.1
195.03497	5.5
196.04298	13.8
196.65280	0.9
197.05066	41.3
228.01483	47.0
275.20004	2.6
275.27664	1.2
276.01828	1.6
276.20578	5.0
276.23074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08639	1.8
50.69490	1.5
50.77687	1.5
58.99582	5.0
61.01152	21.4
69.44905	7.1
69.45329	6.0
70.99593	1.9
73.01142	28.8
74.01923	4.6
78.28549	1.5
80.39279	1.5
83.08623	6.6
87.02686	5.9
100.31023	1.6
101.04266	8.9
104.98321	100.0
105.03732	3.1
110.93968	2.3
113.04260	6.1
137.00906	37.6
147.02975	80.1
153.70042	1.7
179.74803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99566	3.7
61.01159	21.9
70.67345	2.4
70.67706	5.1
73.01151	25.5
74.01933	3.3
83.08612	4.8
83.78633	2.5
87.02707	4.8
101.04256	8.1
103.72253	2.4
104.97607	5.0
104.98326	100.0
113.04256	8.8
118.99923	2.8
120.65643	2.5
132.14540	2.4
137.00908	33.4
147.02979	67.0
166.69788	2.3
167.24657	2.6
178.88422	2.3
180.56532	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83189	1.2
58.99585	6.4
61.01155	25.3
61.66015	1.4
66.71555	1.2
70.06590	2.3
70.12953	5.6
70.64210	1.3
70.99576	2.6
73.01150	27.7
74.01926	1.9
75.02692	3.2
79.05471	1.8
81.07072	1.5
83.08636	8.5
84.08116	2.5
86.09740	2.6
86.13557	1.5
87.02679	5.3
90.21027	1.3
94.96254	1.5
97.16418	1.3
99.02666	1.6
101.04240	10.1
102.88113	1.4
104.98326	100.0
105.03745	2.7
105.94461	1.4
110.93985	2.0
113.04218	5.0
120.08120	1.9
137.00917	35.4
145.81474	1.5
147.02982	74.0
147.71823	1.7
149.07376	1.9
211.02768	1.6
217.09862	1.3
274.46268	1.3
275.05334	3.3
275.13904	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99586	3.6
59.29560	1.7
61.01154	25.0
69.68940	8.4
69.69337	3.8
69.93351	1.5
70.99592	2.1
73.01144	25.2
74.01922	3.9
78.96772	2.1
81.96568	1.7
83.08624	5.4
87.02699	5.4
98.20776	1.7
101.04266	8.7
104.98324	100.0
105.03743	2.5
107.92381	1.7
110.93974	2.8
113.04231	7.2
118.99866	1.9
120.99571	2.0
137.00914	37.1
147.02985	68.6
147.04163	3.5
151.64445	1.7
177.02187	1.6
220.87363	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
52.09484	1.3
55.05510	5.5
57.03457	1.5
57.07074	3.9
66.30821	1.2
67.05499	5.1
69.07074	11.6
70.16046	5.3
79.05493	4.3
81.07055	8.0
83.04971	2.2
83.08627	2.0
88.07632	2.3
91.05472	6.9
92.75214	1.2
93.07050	13.7
95.04937	3.4
95.08601	10.1
97.06554	2.1
104.98299	2.0
105.07056	8.7
107.04929	2.6
107.08603	8.5
109.06534	2.8
109.10158	7.2
111.08083	23.2
113.04217	1.6
113.09673	2.0
117.07004	1.6
119.08588	8.6
121.06540	2.9
121.10137	5.6
122.07290	5.7
123.08079	15.6
123.11669	2.3
131.08554	8.6
133.10132	9.1
135.08064	21.3
135.11687	5.0
137.09557	1.6
143.08641	1.9
145.01433	2.7
145.10138	5.8
147.02962	1.7
147.08090	1.5
147.11691	6.2
148.08838	1.9
149.09621	3.0
149.13304	1.6
157.10135	3.5
159.11745	7.4
161.09639	1.7
163.11089	3.2
165.12822	3.8
171.11725	9.4
173.13277	5.8
175.11168	2.0
175.14796	2.7
176.12003	4.3
177.12729	1.8
181.12236	12.8
183.11649	1.4
187.11177	1.5
188.59396	1.3
189.12662	1.9
190.01613	1.6
191.14317	100.0
196.67081	1.2
199.14825	4.7
213.16249	1.5
215.17958	2.1
217.15842	5.9
239.17876	1.6
257.19064	7.2
260.15424	1.8
275.20145	40.1
275.27740	18.0
297.14468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
58.06606	12.1
58.99602	6.5
61.00886	1.4
61.01159	16.8
64.31065	1.1
67.05504	1.8
69.07053	2.5
69.22240	7.8
69.22665	3.9
70.06576	3.6
70.99573	1.6
73.01148	30.7
76.02216	1.7
78.96786	16.7
81.07059	1.4
84.04477	1.7
84.08141	4.5
86.09687	1.6
86.99065	1.7
88.03468	1.6
88.07645	1.2
93.07041	2.2
95.08568	1.3
98.21542	2.6
99.02705	2.8
104.98327	100.0
107.08591	1.9
109.10156	1.4
110.93965	25.3
116.05315	4.0
118.99867	12.0
119.08573	1.5
121.01427	5.1
122.02702	5.7
127.28498	1.3
129.10268	1.7
143.08571	1.2
145.03201	12.0
152.98648	16.6
161.13237	1.6
162.05861	16.2
162.13533	1.4
194.03130	2.4
273.25754	1.3
274.27582	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	274.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	10.0
69.51266	4.3
70.95884	1.2
71.95261	2.9
83.84940	0.5
85.90035	0.6
98.97588	100.0
101.00873	1.4
104.66563	0.5
104.67414	0.5
112.95438	0.6
115.05045	0.6
116.98627	50.1
119.01907	4.2
127.51827	0.5
130.93279	1.0
133.22209	0.5
134.99664	14.7
140.00241	0.8
142.03485	1.2
145.81738	0.5
153.00693	0.7
158.01205	0.7
161.02936	0.7
172.94380	3.8
174.55345	0.5
177.00941	1.5
185.70416	0.5
190.95435	4.6
197.86440	0.5
208.96152	2.1
214.95337	2.8
219.02002	1.5
232.96402	6.9
234.99841	0.7
238.95541	0.9
240.95337	0.9
245.51387	0.6
248.95978	0.8
249.45911	0.8
249.99289	3.7
250.97435	2.8
251.46275	1.2
256.96463	16.1
257.96698	1.3
258.96408	1.8
260.46844	1.2
261.03079	2.3
261.50189	1.0
274.97498	76.2
283.00018	1.2
292.98563	38.9
297.98969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27804	0.6
53.03935	2.0
54.52533	0.6
55.01867	3.8
55.05496	1.0
56.05017	1.5
58.06606	0.8
60.04510	1.1
61.01131	1.3
63.94415	1.6
65.03941	5.7
66.68252	0.6
67.01868	3.3
67.05492	3.1
68.99796	4.7
69.03410	2.1
69.07060	1.5
70.06593	6.2
71.01342	2.6
71.04983	2.1
72.08140	3.9
77.03933	0.8
77.46305	0.7
78.96780	9.9
79.01860	0.9
79.05499	1.6
81.03396	2.4
81.07103	0.8
83.01338	2.6
83.04964	1.8
84.04501	2.5
84.08148	8.8
85.02895	1.9
86.09715	5.8
91.05449	0.9
93.03389	2.5
94.96249	2.3
95.01340	2.0
95.04970	6.3
97.02876	2.4
97.06546	1.0
97.98779	0.6
98.06017	1.0
99.04455	3.1
101.02378	11.7
104.05365	0.8
107.01347	0.7
107.04965	3.0
107.08637	0.9
109.02877	0.9
109.07808	0.7
110.07191	1.2
111.04437	2.7
112.07555	0.8
112.11161	0.8
113.02351	1.3
113.04238	2.2
116.10733	1.2
119.04944	0.7
120.08092	2.2
121.02873	8.7
123.04456	3.8
125.00564	1.9
125.02360	5.3
126.98489	1.7
129.10239	2.3
130.04962	0.7
130.06506	1.1
135.04378	1.5
136.07544	1.3
137.02351	2.0
137.63593	0.8
139.03889	2.5
141.07004	0.8
141.10313	0.9
149.02347	19.9
150.03186	3.9
151.03876	3.4
153.00089	1.6
155.01595	1.0
163.03952	3.3
167.03407	100.0
168.03973	1.6
169.03334	0.7
179.03398	1.2
180.99561	1.8
185.04340	1.1
188.07124	0.9
195.02896	39.4
197.04463	2.4
199.00616	0.7
216.06366	0.8
227.00137	3.1
257.08173	2.8
274.27490	2.7
275.00537	4.3
275.05029	1.0
275.09470	1.1
275.13873	2.3
275.27802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05507	19.6
57.07076	6.6
67.05509	31.2
69.06723	3.2
69.07075	42.3
70.00831	8.0
73.11907	2.5
79.05513	15.9
81.07067	75.1
83.08633	17.5
91.05494	16.0
93.07050	32.0
95.08614	79.9
97.10175	9.4
98.20703	2.3
105.07043	33.1
107.08607	61.3
109.06527	3.1
109.09456	4.3
109.10162	57.5
111.11705	4.0
116.58865	2.9
119.08600	28.9
121.10160	51.2
123.11719	42.3
133.10175	16.5
135.11702	28.7
137.13266	9.7
145.10078	3.6
147.11690	20.0
149.13272	48.3
151.14738	4.4
161.13281	27.8
163.14853	28.6
175.14810	13.4
177.16393	13.9
189.16425	23.1
191.17976	11.0
203.17964	20.4
217.19507	24.1
222.08368	2.6
239.47926	2.6
273.22797	6.5
273.25800	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	274.006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75708	1.2
52.26970	1.0
52.39838	1.1
58.06602	11.9
58.40049	1.1
58.99598	7.0
61.01159	18.1
63.94447	1.6
67.05490	1.8
69.84005	4.0
69.84412	2.4
70.06586	3.6
70.99571	1.6
72.08144	1.7
73.01149	35.6
76.02232	2.6
78.96789	16.5
80.60270	1.4
81.07042	1.9
84.04505	1.8
84.08131	2.5
85.02944	1.3
86.57040	1.0
86.99064	2.2
91.05463	1.3
93.07045	1.3
95.08645	1.2
98.20788	1.6
99.02665	2.7
103.68424	1.2
104.98325	100.0
107.08614	1.5
110.93967	26.0
116.05290	4.5
118.99883	11.7
119.08670	1.3
120.01151	1.6
121.01456	3.5
122.02715	4.5
125.09746	1.4
129.10255	2.3
145.03181	9.4
152.97609	1.7
152.98639	13.6
162.05853	18.6
194.03114	3.4
214.02675	2.0
273.25558	1.4
274.18817	2.3
274.27463	5.3
275.05566	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2214
Annotation	3-Oxo-delta5-steroid
Peak:m/z	Relative Intensity
53.03934	1.1
53.83090	0.9
55.05512	4.3
57.07065	2.0
58.99586	1.1
67.05507	7.4
69.07060	2.8
69.26483	5.2
69.26891	1.9
73.01134	2.3
79.05057	1.1
79.05493	11.0
81.07063	12.5
83.08631	4.1
91.04964	1.3
91.05488	11.1
92.11843	0.8
93.07048	15.4
95.04984	0.8
95.08601	14.5
97.10175	1.7
99.02722	1.5
105.07038	53.3
107.08598	14.4
109.06538	1.2
109.10152	6.1
111.02656	2.1
112.03435	1.1
113.04277	1.6
117.07036	3.9
119.07792	1.6
119.08590	20.6
121.10153	7.7
121.55756	0.8
123.08028	0.8
123.11721	2.9
129.06999	1.1
131.08571	7.5
133.10132	14.5
135.11693	7.6
136.95470	1.2
137.00826	1.0
137.09604	2.6
139.05762	1.2
142.99812	2.2
143.08597	1.9
145.10147	13.5
147.11693	21.6
149.13242	3.8
151.11230	1.1
157.10178	2.9
159.11702	14.3
161.13269	100.0
163.11215	6.8
171.11713	2.0
173.13289	8.2
175.14728	0.9
175.37646	0.7
175.97609	0.9
177.12730	0.8
185.13240	3.0
186.14082	1.1
187.14778	2.0
191.14310	1.2
199.14873	4.8
213.16388	3.6
215.17976	10.8
224.68375	0.9
227.17911	1.6
255.21094	47.2
256.26141	0.9
258.22266	1.0
273.18811	2.4
273.22128	58.7
273.29706	4.1
274.27448	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	273.2213
Annotation	5a-Androst-3-en-17-one
Peak:m/z	Relative Intensity
53.03931	0.7
55.05517	1.5
57.81450	0.3
62.57827	0.3
65.03921	0.4
67.05508	6.3
69.07068	2.7
70.88306	0.3
71.55717	0.7
73.01132	0.8
75.02689	0.6
77.03911	0.4
79.05056	0.7
79.05494	8.3
81.03406	0.5
81.07060	9.6
83.04993	0.8
83.06139	0.5
83.08619	1.2
84.04503	1.3
86.09717	0.5
91.05485	8.7
93.07050	13.0
95.04957	1.2
95.08611	12.6
95.09065	0.2
95.09231	0.4
97.06528	0.8
97.72836	0.4
99.02670	1.3
101.12099	0.3
103.05444	0.5
105.07035	30.0
106.68220	0.3
107.08596	12.6
109.06464	0.4
109.10163	4.1
113.04230	0.8
114.07224	0.3
115.05428	0.4
116.05298	0.7
117.07040	2.7
119.08587	18.1
121.10156	6.3
123.08045	0.8
123.11739	1.8
129.00113	0.5
129.06856	0.7
130.07785	0.5
131.08577	5.7
133.10130	9.9
135.11697	5.2
137.13278	0.5
142.08656	0.4
143.08546	1.2
144.09294	0.9
145.03246	0.5
145.10135	10.1
145.11261	0.6
147.11691	17.6
149.13263	2.9
151.11168	0.9
153.01840	1.0
157.10138	2.0
159.11703	14.8
161.13261	100.0
162.13599	0.7
163.11195	3.0
163.14806	0.6
165.12706	0.6
170.08101	1.1
171.11676	1.9
173.13271	8.0
175.14795	1.0
175.40900	0.3
177.12776	0.5
181.06508	0.5
185.13228	3.1
186.14015	0.4
187.14905	1.7
189.16486	0.5
191.14293	0.4
199.14838	3.6
200.15521	0.5
213.16423	3.2
215.17955	0.8
226.17125	0.6
227.17923	1.0
255.21095	43.1
273.07532	0.5
273.22134	57.2
274.22464	0.7
282.89572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	5a-Androst-3-en-17-one
Peak:m/z	Relative Intensity
53.03946	0.5
55.01871	1.0
55.05515	2.7
57.07078	0.6
61.01126	0.5
65.03924	0.5
67.05508	6.7
67.77646	0.4
69.07057	2.3
70.06584	0.6
70.68186	1.2
73.01145	0.7
79.05063	0.7
79.05497	10.0
81.07061	12.8
83.04985	1.2
83.08639	1.0
84.04527	1.0
84.08147	1.1
87.02688	0.5
91.05485	10.6
92.98321	0.5
93.07043	13.5
95.04969	1.2
95.08611	12.4
104.98302	0.6
105.07037	31.2
107.08601	14.8
109.06452	0.5
109.10163	5.4
111.04486	0.5
117.07040	2.8
119.08589	17.6
119.09470	0.9
121.10151	6.6
123.11714	2.3
128.06161	0.4
129.06921	0.6
131.08575	5.9
133.06479	0.4
133.10130	9.9
135.11691	6.8
137.09540	0.5
143.08563	1.0
144.09363	0.8
145.10138	10.5
147.07951	0.6
147.11696	21.0
149.06117	0.5
149.13275	4.0
151.11166	1.0
157.10138	1.9
159.11705	15.4
161.13261	100.0
162.13643	1.0
163.11197	3.2
163.14900	0.8
165.07675	1.0
166.08215	1.9
170.08183	0.5
170.11115	0.4
171.11693	1.9
173.13268	7.4
175.14790	1.1
177.12791	0.5
181.06491	0.7
185.13245	3.0
187.14825	1.4
189.16484	0.6
199.14868	4.4
213.16440	2.6
215.17995	0.6
218.69334	0.5
223.00861	0.5
227.17989	1.3
241.08688	0.7
255.21095	41.9
273.08957	0.6
273.18771	2.0
273.22134	53.2
274.22568	0.9
274.27383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01868	0.5
55.05511	2.7
65.03919	0.5
67.05169	0.5
67.05509	7.0
69.07070	2.7
70.06581	0.6
73.01131	0.6
76.02219	0.4
79.05491	9.2
79.67722	0.3
81.03416	0.4
81.07064	10.3
83.04987	0.9
83.06135	0.5
83.08609	1.2
84.04510	1.4
84.08162	0.5
86.09698	0.5
91.05489	10.8
93.06467	0.8
93.07050	14.6
95.04977	0.8
95.08609	11.7
95.81710	0.3
97.06545	0.4
99.02671	1.1
105.07037	33.0
107.08600	13.1
107.09264	0.2
109.06563	0.6
109.10165	5.1
113.04224	0.7
115.05444	0.6
116.05341	0.9
117.07021	3.4
119.04913	0.6
119.08591	17.2
121.10152	6.7
123.08076	1.0
123.11687	1.9
124.07616	0.5
127.03893	0.4
129.00055	0.8
129.06805	0.7
131.08572	6.7
133.10139	8.9
135.11687	6.6
137.09587	0.5
137.13322	0.4
143.08575	1.6
144.09372	0.7
145.03224	0.4
145.10129	10.2
147.04399	1.3
147.11694	18.8
148.11946	0.4
149.09641	0.5
149.13275	2.3
151.11197	1.2
153.01848	2.7
157.10168	1.6
159.11707	15.0
161.13264	100.0
162.13600	0.8
163.11221	4.1
165.12721	0.5
170.08102	1.0
171.11679	2.0
172.04277	0.5
173.13271	6.6
175.14850	1.1
177.12714	0.5
185.13249	2.7
187.14865	1.8
199.14822	4.1
201.16417	0.4
213.16386	2.6
215.17908	0.7
218.98521	0.4
227.17932	1.5
240.18661	0.5
254.66862	0.4
255.21101	41.8
256.21408	1.0
273.07703	1.4
273.22141	54.7
274.27582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1123
Annotation	Benzyl 2,6-dimethoxybenzoate
Peak:m/z	Relative Intensity
64.34858	1.6
65.03926	2.7
69.76405	5.6
69.76804	3.6
79.05540	2.1
91.05488	100.0
95.04984	2.6
95.08594	2.9
107.01311	2.6
119.08607	1.9
122.03625	3.2
133.10245	1.6
145.01556	1.7
147.11725	2.4
150.03142	6.8
161.13278	2.4
165.05495	86.0
167.07086	2.2
168.04198	4.9
171.11667	2.0
195.06476	2.1
255.10149	6.8
273.18637	2.9
274.27475	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	273.1852
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01871	1.3
55.05501	5.0
56.96563	1.2
61.01147	1.3
62.07209	1.1
64.72626	0.9
67.01855	1.6
67.05492	4.5
68.99769	2.3
69.03409	4.1
69.07085	6.0
71.05005	1.6
71.54782	2.2
73.01125	3.1
79.05499	8.2
81.03431	2.0
81.07076	8.3
83.03141	1.2
84.04494	3.3
84.08139	3.6
85.02892	1.3
85.06529	2.7
91.05495	14.1
93.07063	10.6
95.04960	5.0
95.08621	8.1
96.08142	1.2
97.02886	1.2
97.06573	1.6
99.02682	3.2
103.05491	1.3
105.07043	18.0
107.04928	1.7
107.08609	11.0
109.02812	1.7
109.06544	10.5
109.10177	5.7
111.00749	1.4
111.08076	2.0
113.04230	2.0
115.05408	1.9
116.05370	2.6
116.06186	1.3
116.98560	1.5
117.07024	4.5
118.87226	0.9
119.04962	18.7
119.08607	17.4
119.54169	1.2
121.06473	1.5
121.10157	8.3
123.04420	5.1
123.08051	3.3
127.03886	1.2
128.06194	2.2
129.00067	2.8
129.06931	4.4
130.07767	1.7
131.08574	9.7
133.06487	5.1
133.10130	8.9
135.08031	4.2
135.11665	2.1
137.09555	2.1
139.05800	1.2
140.06531	1.1
141.06984	2.4
142.07788	4.3
143.08554	7.6
145.03278	1.6
145.10138	14.6
147.04422	46.1
147.08026	2.3
147.11707	10.6
149.09604	2.2
151.11180	1.1
153.01846	100.0
154.02162	1.7
154.07785	1.6
155.08572	6.1
156.09407	6.9
157.10156	14.5
158.10971	1.4
159.08046	2.0
159.11728	6.8
161.09605	3.0
161.13258	20.7
163.11198	1.2
165.07016	1.5
166.07811	1.5
167.08589	3.6
168.09334	1.3
169.10179	9.0
170.08090	2.5
170.10927	2.5
171.02876	3.9
171.11719	17.7
172.12480	1.9
173.09615	8.7
173.13242	4.5
175.11113	5.2
175.14806	1.5
177.00746	1.4
177.12721	1.2
179.03452	1.7
181.10138	3.5
182.10921	4.3
183.11760	5.7
185.09688	1.6
185.13257	5.0
187.11226	1.9
187.14819	3.1
189.12773	9.1
193.10123	1.9
195.11708	4.4
196.12483	2.5
197.13297	20.1
198.14069	2.1
199.11223	7.8
199.14850	1.7
200.11906	1.3
205.15791	1.5
207.11697	1.6
208.12347	1.2
209.13300	2.3
211.11223	1.8
211.14815	8.3
212.15646	4.3
213.12720	3.4
213.16371	13.2
215.14354	5.3
217.12289	1.3
222.14130	2.2
225.12708	2.1
227.14330	2.9
227.17947	1.9
229.15825	5.6
230.16769	1.5
231.17400	3.2
232.82544	1.1
234.43048	1.1
237.16386	3.2
240.15109	2.6
251.10489	1.4
255.17459	22.5
255.21078	8.7
273.07565	75.1
273.18491	49.6
273.22089	11.7
273.25363	1.8
274.08041	1.1
276.92838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11303	2.4
53.03950	3.3
55.01869	5.2
55.05509	14.0
55.77198	2.2
56.05030	5.1
58.99597	23.7
61.01145	8.9
65.03932	6.1
67.05489	8.1
68.05009	3.1
69.03416	6.2
69.07073	35.3
70.06586	9.7
71.04975	2.8
71.56082	2.7
72.00350	2.8
72.08149	8.1
73.01146	100.0
75.02711	14.6
76.02214	9.1
79.05486	7.7
81.03407	6.3
81.07069	3.8
82.06580	3.0
83.04980	3.9
83.06130	13.5
84.04514	35.8
84.08154	15.4
85.00665	2.4
85.01140	38.2
85.02911	3.7
86.09711	14.6
87.02691	25.1
89.00617	7.2
89.04193	2.5
91.05488	10.3
93.07028	6.3
95.08603	5.7
96.08139	12.1
97.06509	4.0
98.09700	2.4
98.97580	2.8
99.02689	38.9
99.04467	4.6
100.07717	2.2
102.96788	3.2
103.02165	13.2
103.05450	2.4
103.97498	2.8
104.98348	12.2
105.07034	7.2
107.04956	3.5
109.02873	5.4
111.02683	5.8
111.04433	5.9
112.03461	12.4
113.04248	16.5
114.09172	13.1
116.05335	22.1
116.98314	38.6
117.99091	15.3
118.99059	4.9
118.99874	83.9
119.04900	4.2
119.08571	6.2
120.08071	3.1
121.06486	4.8
121.10181	3.1
123.08047	2.3
124.07594	8.0
127.03918	5.9
129.06573	19.6
129.10237	4.6
130.04964	3.1
130.06551	2.3
131.08536	2.6
133.10126	6.0
134.99336	48.3
137.00919	8.9
137.02344	6.9
137.06000	3.4
142.08618	4.9
143.08562	3.0
145.01350	4.1
145.03171	12.5
145.10162	3.2
147.04478	5.7
147.07826	2.5
149.06001	5.7
149.13196	2.4
150.97043	9.9
151.07549	4.3
152.06194	3.4
153.01851	6.8
153.07004	6.6
157.10083	2.5
159.11728	4.1
161.07123	3.7
163.02516	12.2
170.08194	30.7
172.04236	3.9
181.06450	10.8
181.07892	4.0
195.08028	2.9
209.01277	32.4
213.09117	7.0
217.04988	2.7
227.08443	8.2
231.13756	3.7
241.08554	6.7
245.09436	5.9
255.02768	2.8
255.11235	3.5
273.03784	14.2
273.08932	21.9
273.11868	10.1
273.15390	3.5
273.18420	8.1
273.22000	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01857	3.5
55.05512	9.6
57.03431	4.0
57.07085	4.6
58.99587	40.9
61.01154	5.8
65.00658	3.4
65.03935	3.7
67.05508	31.0
69.03428	8.5
69.07071	100.0
70.06585	6.3
70.22200	4.7
70.22578	4.7
71.05005	4.7
72.00343	4.8
72.08167	3.6
73.01132	12.0
75.02686	2.9
78.96793	9.8
79.05501	14.6
81.03429	8.5
81.07063	12.7
83.04979	21.9
83.06091	3.8
84.04503	4.5
84.08138	8.9
85.01146	7.4
85.02890	4.6
85.06549	5.4
86.09698	7.6
87.02704	6.0
90.96780	3.6
91.05484	13.0
93.07058	8.9
95.04988	10.3
95.08598	12.9
96.05774	15.2
96.08160	5.1
97.01135	5.9
97.02912	4.6
97.06547	47.4
99.02680	26.3
101.03635	5.8
101.04244	71.7
104.98298	3.8
105.07038	11.5
107.08596	6.3
108.97776	5.3
109.02906	4.7
109.10197	6.2
110.93972	8.9
111.02670	45.1
111.04465	7.0
112.03440	37.6
113.04233	82.9
115.02129	15.8
116.05323	6.8
116.46849	3.1
119.08570	9.4
121.06487	3.8
121.10145	6.3
124.07609	3.2
127.02150	8.5
129.02811	6.0
129.03714	84.6
129.06630	9.0
129.84326	3.2
130.04491	46.4
131.05238	12.4
131.08575	10.4
133.01433	12.3
133.10138	7.7
135.02611	3.6
142.99844	21.6
145.03223	3.5
145.10130	10.1
147.04424	3.8
147.11662	6.6
149.05978	5.0
153.06972	7.8
157.10092	5.2
159.11708	6.1
161.00934	12.9
161.13293	14.3
166.65157	3.1
170.08154	10.2
171.11732	4.3
177.04053	13.4
181.06537	7.4
189.09113	3.4
195.08224	4.1
209.01244	10.9
213.09149	4.8
241.08586	5.4
255.11258	4.5
255.17563	6.9
255.20982	5.9
273.08929	13.5
273.12161	14.7
273.18481	17.3
273.22180	12.4
273.25763	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	272.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01871	1.5
55.05496	1.9
55.29556	1.0
56.05032	5.6
56.96563	4.5
57.03440	6.0
60.04523	2.9
60.05657	2.1
61.02921	4.6
61.03908	0.9
65.03947	2.9
67.05511	1.2
69.03433	9.2
69.07090	2.5
70.06598	39.0
70.12489	4.4
71.04996	1.6
72.08161	11.2
73.02935	5.1
73.08510	1.1
74.06098	5.5
75.47411	1.0
80.05000	1.2
81.03423	4.4
83.06094	1.4
84.04506	14.4
84.08144	11.2
84.96030	1.5
85.02910	26.0
86.09711	100.0
87.10034	1.1
88.03986	2.7
91.03968	1.4
91.05476	1.2
92.05008	6.6
95.04951	1.4
96.04505	1.6
96.08139	1.2
97.02897	9.2
98.06047	1.5
98.21456	1.1
98.97587	7.7
99.04440	2.6
99.05594	1.3
99.09208	1.2
102.05528	3.0
103.03963	1.5
106.06544	9.8
107.04949	1.2
109.02888	1.8
109.05257	4.9
110.06049	98.0
110.07132	5.6
110.97565	1.2
111.04473	1.8
112.08740	2.7
113.07178	1.3
116.07088	9.0
116.98627	4.2
119.01784	2.8
120.04472	3.1
120.08109	1.2
122.06040	9.8
126.08308	1.1
127.03920	6.4
127.08678	2.5
128.98595	1.7
129.10233	8.3
130.05013	25.6
130.08646	1.4
132.04417	1.0
134.06024	23.9
135.04433	1.0
136.07629	2.2
140.03445	1.1
140.08212	1.6
141.10236	1.3
143.00160	1.6
143.04512	1.5
143.11813	10.2
145.04962	2.7
146.06007	5.6
146.99760	1.1
152.07063	10.3
155.08217	1.4
155.11809	1.1
158.09317	1.7
158.99672	3.3
159.07729	1.5
161.01251	2.7
161.02786	1.4
162.05493	1.3
164.07129	1.7
170.03339	1.6
172.58682	1.1
173.01306	1.1
173.09322	1.0
173.12854	1.3
175.11887	3.1
176.07043	5.0
177.00769	2.5
179.02420	1.1
182.03384	4.1
187.07138	17.6
189.00764	1.5
191.03909	7.8
191.05626	1.7
191.54050	1.1
200.04414	3.8
201.00793	1.7
201.12273	4.7
213.12276	1.7
215.13930	28.7
219.01816	3.6
225.12383	4.4
226.07214	1.7
236.09267	3.5
237.02750	2.0
254.10194	5.3
255.11110	1.4
255.13391	1.8
261.02802	1.2
272.06476	1.0
272.11209	3.4
272.15964	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	271.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01854	0.9
55.05518	6.0
57.07063	1.4
59.46561	0.6
67.05177	0.9
67.05510	13.3
69.03432	1.8
69.07067	4.5
69.36145	6.4
73.01144	1.1
79.05498	12.1
81.07061	16.4
82.06512	0.9
83.04990	4.8
83.08605	2.0
85.06527	1.2
86.09658	0.9
91.04964	1.3
91.05482	18.0
93.06476	1.0
93.07053	20.6
95.04948	1.8
95.08612	22.4
95.45795	0.8
97.02885	1.0
97.06497	1.6
105.07038	31.5
107.04963	0.9
107.08600	16.7
109.02881	1.4
109.06496	1.6
109.10141	8.9
109.80274	0.9
111.08080	1.0
117.07027	8.7
118.06521	1.7
119.06850	1.6
119.08588	16.8
120.08148	1.2
121.08482	1.1
121.10147	10.3
123.08100	1.0
123.11653	2.1
125.09695	0.9
128.06203	4.5
129.07007	8.3
130.07819	2.0
131.08575	16.5
133.10143	17.8
135.11684	7.0
135.32823	0.8
137.09636	1.1
141.06985	3.6
142.07802	5.6
143.08569	17.5
144.09250	2.0
145.10132	25.7
147.08017	1.5
147.11696	59.7
149.09657	1.4
149.13246	2.7
155.08557	8.0
156.09343	2.1
157.10130	25.2
159.08072	1.2
159.11708	34.6
159.13036	1.9
161.09618	5.6
161.13274	10.3
163.11246	1.8
164.07103	1.8
165.07707	6.1
166.08192	10.2
167.08521	1.5
168.09338	1.0
169.10121	8.0
170.10858	1.4
171.11725	13.1
173.13274	10.0
175.11179	6.1
175.14824	2.8
181.10103	1.4
182.10925	1.9
183.08061	1.2
183.11728	9.4
184.12404	1.4
185.13280	16.0
186.14012	3.1
187.14772	4.5
189.12808	1.2
189.16402	2.7
195.11612	0.8
196.04291	0.8
197.13268	15.4
198.13988	1.5
199.14841	2.9
201.12921	1.0
201.16422	6.0
209.13258	2.3
210.14209	0.8
211.07539	1.2
211.14836	14.6
211.16739	1.3
212.15607	7.8
213.16389	3.8
215.17918	1.3
223.14777	2.3
224.15581	4.6
225.10281	1.0
225.16354	5.0
227.17960	3.6
229.15878	1.0
229.19514	2.4
238.17160	1.2
243.21165	3.6
253.19534	69.1
271.09787	2.1
271.20575	100.0
271.23981	5.1
272.21021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2056
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03950	1.1
55.01879	0.9
55.05513	4.9
57.07084	1.0
61.25801	0.8
65.03947	0.8
67.03500	0.8
67.05508	12.8
69.03422	1.6
69.07060	2.9
69.89527	2.1
69.89916	2.1
70.06581	1.2
73.01130	1.3
79.05499	10.6
81.07061	16.0
83.04995	1.6
83.08618	1.6
84.08166	1.0
91.05479	13.1
93.07049	18.9
95.05000	1.5
95.08611	16.0
97.06538	1.5
105.07039	18.4
106.82741	0.8
107.08599	16.7
109.06516	1.1
109.10159	10.1
113.04198	1.1
113.90823	0.9
117.07023	7.9
119.08576	12.3
120.62067	1.0
121.10145	31.8
123.08039	1.3
123.11733	1.3
127.03896	1.2
128.06210	2.0
129.07002	6.6
131.08566	18.2
131.55075	0.8
133.10132	17.7
135.11696	4.2
137.09654	1.1
141.07010	2.4
142.07808	7.1
143.08562	11.2
144.09338	1.8
145.10127	18.4
147.11699	20.9
149.09608	4.0
151.11194	2.4
155.08606	5.7
156.09360	1.3
157.10133	39.0
159.11700	28.2
161.09665	1.3
161.13243	2.3
163.11212	1.9
165.07060	1.6
167.08569	1.6
168.09384	2.1
169.10103	7.1
171.11694	14.9
172.12402	1.2
172.25201	1.1
173.13243	9.7
175.11195	10.2
181.10115	2.5
182.10916	1.8
183.11713	10.8
184.12526	1.0
185.13300	6.5
187.14751	1.8
189.12741	1.4
195.11708	1.0
196.12511	1.6
197.13258	12.2
199.14839	2.7
201.16400	0.9
209.13336	2.4
211.14809	13.2
212.15570	2.5
213.16368	4.8
223.14842	2.5
224.15607	4.9
225.16393	6.7
227.17986	2.4
236.69525	0.9
238.17233	4.9
242.16624	1.2
253.19527	83.0
254.19856	1.2
271.05981	1.3
271.10068	2.1
271.14307	2.7
271.20572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01879	0.9
55.05513	4.9
57.07084	1.0
61.25801	0.8
65.03947	0.8
67.03500	0.8
67.05508	12.8
69.03422	1.6
69.07060	2.9
69.89527	2.1
69.89916	2.1
70.06581	1.2
73.01130	1.3
79.05499	10.6
81.07061	16.0
83.04995	1.6
83.08618	1.6
84.08166	1.0
91.05479	13.1
93.07049	18.9
95.05000	1.5
95.08611	16.0
97.06538	1.5
105.07039	18.4
106.82741	0.8
107.08599	16.7
109.06516	1.1
109.10159	10.1
113.04198	1.1
113.90823	0.9
117.07023	7.9
119.08576	12.3
120.62067	1.0
121.10145	31.8
123.08039	1.3
123.11733	1.3
127.03896	1.2
128.06210	2.0
129.07002	6.6
131.08566	18.2
131.55075	0.8
133.10132	17.7
135.11696	4.2
137.09654	1.1
141.07010	2.4
142.07808	7.1
143.08562	11.2
144.09338	1.8
145.10127	18.4
147.11699	20.9
149.09608	4.0
151.11194	2.4
155.08606	5.7
156.09360	1.3
157.10133	39.0
159.11700	28.2
161.09665	1.3
161.13243	2.3
163.11212	1.9
165.07060	1.6
167.08569	1.6
168.09384	2.1
169.10103	7.1
171.11694	14.9
172.12402	1.2
172.25201	1.1
173.13243	9.7
175.11195	10.2
181.10115	2.5
182.10916	1.8
183.11713	10.8
184.12526	1.0
185.13300	6.5
187.14751	1.8
189.12741	1.4
195.11708	1.0
196.12511	1.6
197.13258	12.2
199.14839	2.7
201.16400	0.9
209.13336	2.4
211.14809	13.2
212.15570	2.5
213.16368	4.8
223.14842	2.5
224.15607	4.9
225.16393	6.7
227.17986	2.4
236.69525	0.9
238.17233	4.9
242.16624	1.2
253.19527	83.0
254.19856	1.2
271.05981	1.3
271.10068	2.1
271.14307	2.7
271.20572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03928	3.2
55.01854	3.1
55.05512	32.9
57.03439	27.4
57.07048	3.3
65.03925	2.1
67.05508	57.7
69.03401	1.3
69.07069	33.4
69.97448	5.2
70.06580	1.5
71.05000	16.6
72.08148	1.1
79.05494	28.1
81.07059	85.2
83.04951	4.4
83.08161	1.2
83.08620	21.3
84.08113	1.1
85.06545	12.3
91.04976	1.5
91.05484	23.7
93.07043	25.6
95.04909	2.0
95.08611	100.0
97.06531	17.2
97.10171	5.7
97.10716	1.1
99.08063	5.5
105.06380	1.6
105.07035	20.8
107.08594	10.6
109.06458	3.1
109.10155	13.6
111.08052	5.5
113.04289	1.7
113.09617	3.3
115.05856	1.1
115.07574	1.7
117.06973	2.2
119.07812	1.4
119.08585	26.6
121.10132	8.6
123.08030	5.0
125.09596	1.6
131.08534	2.5
133.10129	18.0
135.11696	10.1
137.09586	3.0
137.13263	7.7
143.08519	1.6
147.11629	3.1
157.10088	2.9
159.11630	3.8
161.13258	38.5
171.11649	2.0
173.13162	1.5
179.14319	16.8
185.13214	1.8
197.13214	2.0
197.15323	2.4
211.14496	1.3
213.16278	1.5
239.06557	1.3
253.17580	2.3
253.19740	3.0
271.10284	2.0
271.18933	62.6
271.23880	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	271.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
54.31824	2.2
55.01865	4.5
55.05518	37.2
57.03444	26.6
57.07070	5.5
58.99604	3.9
67.05509	55.6
69.03438	3.0
69.07080	33.8
70.06593	2.9
71.05003	12.6
71.06998	6.0
73.01121	4.4
79.05490	30.3
81.03390	2.5
81.07062	87.2
83.04981	3.9
83.08632	25.6
84.23071	2.5
85.01134	5.6
85.02925	3.9
85.06551	11.9
91.05494	27.7
93.07053	28.2
95.04955	6.4
95.08615	100.0
97.06535	16.1
97.10143	6.5
99.08113	6.6
104.98287	3.6
105.07043	27.2
107.08596	14.8
109.06566	3.6
109.10159	18.5
110.07184	2.8
111.08125	4.7
112.03460	4.0
113.04244	17.4
117.07032	4.5
119.08586	25.2
121.10139	16.2
123.05531	2.8
123.08073	7.0
123.11781	5.1
123.35297	2.2
127.03914	3.0
129.03748	3.2
129.07045	3.3
131.08617	8.5
133.10153	23.2
135.11710	11.3
137.13225	6.0
141.07013	3.5
143.08557	5.5
145.01436	6.0
145.10141	10.1
147.11697	8.0
149.13249	4.6
155.08582	4.0
157.10107	13.9
159.11685	15.1
161.13269	34.6
165.06999	4.0
169.10176	2.6
171.11760	3.3
173.13332	3.0
175.11337	3.2
179.14349	13.2
183.08034	2.9
183.11751	3.4
185.13179	3.0
187.14835	3.2
197.13280	5.2
211.14748	3.1
213.16470	3.3
222.22804	2.5
253.19633	23.6
271.06073	16.3
271.09305	2.3
271.14285	5.2
271.19101	38.4
271.24289	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	271.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82200	1.3
53.03936	2.6
54.93908	1.3
55.01867	1.9
55.05266	2.5
55.05514	38.3
57.03439	30.9
57.07068	1.8
61.30898	1.1
61.47272	1.1
65.03952	3.0
67.05509	57.0
67.05873	3.2
69.03422	3.4
69.06721	2.3
69.07069	32.1
69.65723	1.3
70.15361	4.0
70.15726	2.3
71.04989	15.2
72.08173	1.5
73.06553	1.4
79.05057	2.0
79.05499	26.3
81.03411	1.8
81.07060	95.4
83.04985	6.3
83.08620	24.8
84.08137	2.1
85.06559	9.7
86.09657	1.7
91.05485	26.1
93.07047	28.3
95.04964	3.8
95.08613	100.0
96.93903	1.3
97.06544	16.6
97.10172	5.8
98.21453	1.3
99.08089	4.5
105.07045	21.9
107.08593	11.7
109.02921	1.4
109.06538	2.6
109.10167	20.1
111.08084	4.2
113.04283	1.2
113.09630	1.5
115.07596	1.3
117.07030	3.2
119.08590	27.9
120.08136	1.8
121.10165	8.5
123.08078	6.0
125.09659	1.6
127.03902	1.3
129.07068	1.7
131.08560	4.3
133.10136	16.5
135.11679	9.9
137.09621	3.9
137.13300	6.7
138.36414	1.3
143.08580	3.2
145.10135	5.0
147.11670	4.9
148.07545	1.2
149.13254	2.9
153.06995	1.4
155.08543	2.9
157.10089	6.3
157.44641	1.1
159.11716	7.1
161.09662	1.5
161.13277	28.8
165.06979	1.8
169.10170	2.2
171.11743	2.1
173.13240	2.5
175.11179	2.0
179.14319	12.9
183.08052	3.0
183.11821	1.7
197.13260	3.2
197.15186	2.1
211.07486	1.8
211.14812	2.9
214.96721	1.3
235.58478	1.3
253.19699	11.5
271.06189	2.3
271.09814	4.9
271.18802	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1694
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
55.05509	15.8
57.03405	6.0
58.99581	7.4
67.05511	26.7
69.03434	8.1
69.07069	12.3
70.80459	10.9
71.04988	20.6
79.05499	30.7
81.07059	38.1
83.04998	6.8
88.07613	5.2
89.21632	5.4
90.84908	4.9
91.05483	42.3
93.07043	62.6
95.04975	19.2
95.08622	48.6
105.07033	63.0
107.08603	49.4
109.06529	98.7
109.10152	19.9
113.04237	6.8
115.05442	5.8
117.07043	19.0
119.08589	31.4
121.06538	10.8
121.10169	29.5
123.08070	13.3
126.25085	5.8
128.06232	14.5
129.07025	26.5
131.08582	50.9
133.10100	28.8
135.08058	45.5
135.11713	5.0
137.09627	20.0
141.07001	14.2
142.07784	16.3
143.08569	54.3
145.10136	67.7
147.08058	15.8
147.11702	29.2
149.09660	23.8
153.07025	7.2
154.07829	8.7
155.08556	36.3
156.09389	28.9
157.10161	62.4
159.08087	9.8
159.11697	53.8
159.12846	5.2
161.09633	13.0
165.07039	31.5
167.08571	13.7
169.10139	36.9
170.10936	11.2
171.11716	91.7
173.09663	11.5
173.13295	11.7
175.11208	10.0
179.08594	10.6
180.09438	29.6
181.10130	18.8
182.10858	8.6
183.08044	7.6
183.11761	28.8
185.13295	21.9
187.11133	10.1
191.10724	6.7
193.10190	8.3
195.11723	92.4
196.12537	21.6
197.13257	16.3
198.10495	13.4
201.12778	14.2
209.13307	16.5
210.13992	6.3
211.11380	6.6
211.14870	59.9
213.12761	100.0
213.16409	22.6
220.12462	6.3
227.14346	7.4
229.15881	25.5
235.14850	7.2
253.15987	35.0
253.19524	96.1
271.16983	75.4
271.20593	98.6
271.28195	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	271.1694
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
52.76011	2.4
53.03953	5.2
55.05510	3.6
58.99597	3.4
67.05503	10.7
69.03436	2.5
69.07085	5.9
70.61827	5.0
70.99568	4.5
71.04990	17.1
73.01140	5.1
75.71735	2.3
79.05486	14.6
81.07061	15.2
85.01119	8.6
85.06544	6.9
91.05483	25.1
93.07056	35.6
95.05000	12.5
95.08623	18.2
97.06535	4.9
98.20897	3.5
99.91026	3.2
104.98345	3.2
105.07034	43.5
107.08603	29.3
109.06524	79.1
109.10152	5.2
111.08074	3.8
116.06211	4.4
117.07030	9.4
119.08583	22.6
121.06467	7.4
121.10165	3.8
123.08068	9.3
128.06238	11.1
129.06990	11.5
130.07825	4.1
131.08568	26.1
133.10127	6.4
135.08064	46.2
137.09592	13.1
141.06976	9.6
142.07825	14.4
143.08560	34.6
145.10143	30.2
147.08067	14.8
147.94644	3.9
149.09637	15.7
153.06953	5.0
154.07776	5.6
155.08574	29.0
156.09361	24.6
157.10141	22.7
159.08052	15.0
159.11717	10.5
161.09633	11.9
161.13206	4.1
165.07027	29.1
167.08559	7.3
168.09286	6.5
169.10147	34.6
170.10918	9.8
171.08067	5.5
171.11707	60.0
172.08839	5.2
173.09631	10.6
175.11067	3.1
179.08516	7.9
180.09352	29.0
181.10164	12.2
183.08063	4.7
183.11737	15.0
185.13254	18.3
187.11191	7.4
187.14774	3.5
189.12709	2.9
191.10660	5.0
191.14317	8.5
193.10103	2.4
194.10948	5.3
195.11705	84.7
196.12555	13.9
196.14075	2.7
197.09621	3.9
198.10400	9.7
201.12746	11.7
209.13324	12.7
210.14091	9.4
211.11182	5.0
211.14821	39.7
213.12767	100.0
220.12451	5.6
228.15076	3.8
229.15869	19.5
235.14862	10.0
253.15910	31.4
271.05798	3.8
271.16931	61.9
271.20535	8.0
271.75964	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	271.1443
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05513	0.6
57.07062	0.4
67.05497	1.0
69.07057	0.8
70.06560	0.5
71.55818	0.6
73.01139	0.9
79.05470	1.2
81.07042	0.8
84.08112	0.4
85.01132	4.0
87.00717	1.0
91.05475	0.7
95.71127	0.4
96.08150	0.9
104.98316	0.9
105.07005	0.8
106.06567	0.7
111.02661	0.7
113.04230	2.2
115.03821	1.4
116.98280	0.6
117.05747	0.5
118.06510	1.1
119.07359	0.7
119.08630	0.5
120.08111	1.2
124.07632	0.8
129.07071	0.7
142.07739	0.5
142.99849	1.3
144.08083	1.3
144.99472	1.0
145.08832	0.6
145.10049	0.5
148.07639	0.6
154.06467	1.3
155.08466	0.5
156.08086	1.0
156.09303	0.7
157.01401	1.3
157.10115	1.1
158.06020	1.9
158.09650	0.5
159.01039	0.6
159.09209	1.4
159.11594	0.7
168.08116	8.4
169.08865	2.9
170.09642	1.3
173.10732	0.6
182.09639	2.9
183.10469	11.2
184.09947	1.1
185.10680	0.6
186.05499	1.2
186.11467	0.8
197.08382	0.6
198.09155	0.7
198.12805	7.5
199.08585	2.1
199.12344	1.3
200.13148	0.7
210.09207	0.7
210.11555	0.6
211.10028	1.1
212.09482	3.5
213.10255	6.0
214.10997	1.5
215.11810	0.5
215.15408	2.2
226.12433	7.0
227.08154	1.5
227.11794	27.7
228.12592	21.0
228.14865	1.0
240.08966	2.1
241.09772	3.2
241.13322	0.9
243.14957	14.0
253.13420	0.6
253.19456	0.6
255.11304	64.2
256.12082	67.0
257.12567	0.5
269.12845	3.8
271.14423	100.0
272.14862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79212	1.3
56.05038	2.5
57.07067	2.3
67.05492	1.4
68.38908	1.5
70.06564	1.4
70.38065	2.9
70.38462	1.8
79.05499	3.0
88.07648	3.5
89.03658	1.4
93.05783	2.1
93.07049	2.3
94.06573	3.9
102.05499	1.9
104.04955	1.8
104.60456	1.2
106.06559	4.0
118.06558	32.1
119.07330	3.6
120.08125	23.3
134.05988	3.0
139.69516	1.2
146.06012	2.1
147.06793	2.4
150.03712	5.1
150.05504	7.3
151.04547	1.8
161.82355	1.3
162.93793	1.3
164.07077	49.9
165.07870	100.0
166.08194	1.6
179.03999	1.5
196.04282	13.7
197.05161	2.0
224.10973	1.4
225.11070	2.0
227.11378	2.3
242.24847	1.4
270.06342	3.0
270.13110	5.0
270.24344	7.8
270.27679	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	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03945	0.5
55.05516	4.4
57.03445	2.4
57.07071	0.5
58.99556	0.3
67.01872	2.0
67.05183	0.4
67.05517	5.6
68.99798	1.0
69.07076	2.7
69.71519	0.3
70.06586	0.3
71.04990	1.0
71.56052	0.3
73.01132	0.7
79.05497	3.3
81.03445	0.4
81.07066	7.9
83.04961	0.6
83.08627	1.9
85.06535	1.0
91.05488	3.9
92.94727	0.3
93.07043	2.7
95.04996	0.4
95.08614	9.1
97.06511	1.3
97.10192	0.6
99.08112	0.6
104.98289	0.5
105.07033	2.5
107.08617	1.9
109.06509	0.4
109.10161	1.9
111.02631	0.5
112.48457	0.2
113.04222	1.3
116.98363	0.4
117.07106	0.3
118.99876	0.3
119.04955	5.9
119.08584	2.8
120.08038	0.3
121.02876	1.8
121.10159	1.1
123.08078	0.4
123.38280	0.3
125.81609	0.2
129.01839	0.4
129.06796	0.3
133.10146	2.3
135.11693	1.1
137.09633	0.4
137.13258	0.8
139.00862	0.3
141.06984	0.6
143.08553	0.4
145.01457	0.6
145.02838	1.4
145.10100	0.5
147.11742	0.6
147.94724	0.9
148.95468	0.5
153.01842	11.1
155.08548	0.4
157.10136	1.2
159.08052	0.4
159.11711	1.0
161.13228	2.4
163.03915	0.7
163.11194	0.2
166.08249	0.5
169.06487	0.3
169.10196	0.4
171.02927	1.5
171.11710	0.6
173.13313	0.7
179.14363	1.1
183.10303	0.3
183.11789	0.5
185.13289	0.4
187.04004	0.3
197.05931	0.4
198.12881	0.4
202.06317	0.3
211.07724	0.3
211.14735	0.7
225.05563	0.4
226.12370	0.6
227.11716	0.5
237.26355	0.3
243.06613	0.8
243.14978	1.0
253.05052	0.4
253.19603	1.6
256.12076	0.4
271.06033	100.0
271.18777	4.7
272.06339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25871	0.2
55.01873	0.3
55.05514	0.4
57.03416	0.2
58.99603	0.3
67.05497	1.0
69.07051	0.4
70.06604	0.2
71.34190	0.2
71.55248	0.4
73.01158	0.3
78.04701	1.4
79.05489	2.0
80.05004	1.1
81.07056	0.7
82.07389	0.5
85.01115	0.5
86.29917	0.2
87.03200	0.3
91.05481	0.5
93.05805	1.0
93.07037	1.0
94.06017	0.3
94.06582	3.3
94.07239	0.2
94.07408	0.2
95.04971	0.7
95.07352	0.2
103.05482	0.7
104.04995	1.8
105.05772	0.4
106.06567	3.0
108.04493	0.3
108.08102	0.4
109.05296	0.2
110.06054	0.4
110.07182	0.2
111.02695	0.5
111.28459	0.2
117.05727	0.2
118.06549	30.0
119.07347	4.1
120.08112	18.5
121.08888	0.3
122.06051	0.5
124.07615	0.4
128.12784	0.2
130.06503	0.3
132.04407	0.3
134.06032	2.4
136.02167	0.4
136.07552	0.6
137.02982	0.3
140.05299	0.3
146.06024	2.2
147.06795	2.6
150.03729	4.5
150.05511	7.7
150.13605	0.3
151.04535	2.4
152.05283	1.7
160.12114	0.3
163.06273	0.6
164.07077	42.0
165.07863	100.0
166.08316	0.5
178.03259	1.1
179.03998	1.1
182.02711	0.8
192.10403	0.2
196.04298	13.5
197.05054	1.9
204.76480	0.2
213.09047	0.2
270.06223	2.3
270.17847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03436	0.3
55.01873	0.5
59.87244	0.2
67.05506	0.5
70.06586	0.5
71.10327	0.3
71.10645	0.4
72.08150	0.4
73.01140	0.5
78.04713	1.3
79.05499	2.0
80.05006	1.1
85.01108	0.6
91.05479	0.8
93.05788	1.0
93.07031	0.7
94.06564	3.7
95.04968	0.8
103.05448	0.8
104.05003	2.0
106.06565	3.9
106.74054	0.3
106.97880	0.4
108.04486	0.5
108.08123	0.4
111.02676	0.3
117.05805	0.3
118.06549	29.7
119.06548	0.4
119.07336	4.8
120.08111	19.5
121.08921	0.4
122.06053	0.5
124.07565	0.3
130.06500	0.3
132.04449	0.4
134.06021	2.6
136.02127	0.3
136.07628	0.4
136.83653	0.3
137.08362	0.3
146.05992	2.1
147.06804	3.4
150.03734	3.9
150.05510	7.2
151.04497	2.6
152.05293	1.8
160.11201	0.4
162.05763	0.3
163.06313	0.5
164.07074	42.5
165.07863	100.0
166.08177	0.6
170.69901	0.3
178.03235	1.0
179.03981	1.5
196.04294	13.4
197.05040	1.7
247.81602	0.3
254.18993	0.3
267.36072	0.2
270.06161	1.8
270.27679	0.3
284.67065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01862	0.7
56.69765	0.3
57.73204	0.2
64.23720	0.3
65.96612	0.3
67.05487	0.6
68.05020	0.3
69.07074	0.4
71.15820	0.4
71.16133	0.3
78.04714	1.4
79.05492	2.1
80.05017	1.1
81.07038	0.3
85.01106	0.5
87.03226	0.3
91.05468	1.0
93.05779	1.2
93.07056	1.0
94.06571	3.2
95.04961	0.6
103.05479	0.5
104.05012	2.1
104.98309	0.5
106.06568	3.0
108.08115	0.4
113.04208	0.4
117.05770	0.4
118.06550	30.6
119.07359	4.1
120.08112	19.3
121.08910	0.3
122.06030	0.6
123.29814	0.3
132.04466	0.5
134.05083	0.4
134.06010	2.8
135.06761	0.3
135.22861	0.3
139.57927	0.2
142.60501	0.3
146.06001	2.8
146.20650	0.3
147.06812	2.4
150.03729	4.4
150.05515	8.0
151.04510	2.5
152.05292	2.0
156.24994	0.3
157.14876	0.2
162.05554	0.4
163.06279	0.8
164.07077	43.7
165.07863	100.0
166.08220	0.9
178.03239	0.8
179.03973	1.2
196.04286	13.7
197.05081	2.1
224.87508	0.2
270.06146	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	270.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03436	0.3
55.01873	0.5
59.87244	0.2
67.05506	0.5
70.06586	0.5
71.10327	0.3
71.10645	0.4
72.08150	0.4
73.01140	0.5
78.04713	1.3
79.05499	2.0
80.05006	1.1
85.01108	0.6
91.05479	0.8
93.05788	1.0
93.07031	0.7
94.06564	3.7
95.04968	0.8
103.05448	0.8
104.05003	2.0
106.06565	3.9
106.74054	0.3
106.97880	0.4
108.04486	0.5
108.08123	0.4
111.02676	0.3
117.05805	0.3
118.06549	29.7
119.06548	0.4
119.07336	4.8
120.08111	19.5
121.08921	0.4
122.06053	0.5
124.07565	0.3
130.06500	0.3
132.04449	0.4
134.06021	2.6
136.02127	0.3
136.07628	0.4
136.83653	0.3
137.08362	0.3
146.05992	2.1
147.06804	3.4
150.03734	3.9
150.05510	7.2
151.04497	2.6
152.05293	1.8
160.11201	0.4
162.05763	0.3
163.06313	0.5
164.07074	42.5
165.07863	100.0
166.08177	0.6
170.69901	0.3
178.03235	1.0
179.03981	1.5
196.04294	13.4
197.05040	1.7
247.81602	0.3
254.18993	0.3
267.36072	0.2
270.06161	1.8
270.27679	0.3
284.67065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05506	0.4
57.32780	0.3
58.06595	0.8
58.99565	0.3
64.21563	0.3
67.05498	0.5
68.65003	0.3
71.22353	0.5
72.08152	0.6
73.01132	1.9
73.73696	0.3
75.00714	0.8
78.04700	1.0
79.05492	1.8
80.05017	0.8
81.07051	0.3
82.19580	0.2
85.01115	0.4
91.05470	0.9
91.45140	0.3
93.05782	1.0
93.07018	0.7
94.06574	3.0
95.04954	0.7
95.07307	0.3
100.11256	0.3
101.02273	0.3
103.05479	0.5
104.04999	2.1
105.05740	0.4
105.07052	0.3
106.06548	2.9
107.04976	0.3
108.04450	0.3
108.08087	0.4
110.06081	0.4
111.02659	0.3
117.05786	0.4
117.13762	0.3
118.06546	30.1
119.07346	4.2
120.08108	18.6
122.06039	0.3
132.04468	0.5
134.06029	2.7
135.88506	0.3
136.02126	0.3
145.03160	0.9
146.06021	2.2
147.06793	2.7
150.03722	4.9
150.05507	7.9
151.02144	0.5
151.04520	2.1
152.05273	1.8
162.05807	1.2
164.05101	0.3
164.07072	38.4
165.07860	100.0
166.08208	0.8
178.03210	1.0
179.01573	0.7
179.04008	0.8
180.07835	0.6
196.02470	0.6
196.04282	12.2
197.05086	2.2
228.04488	0.7
230.78101	0.3
254.09776	0.9
270.06100	1.8
271.10052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
67.05497	1.1
70.06612	0.9
70.81756	0.7
71.08635	0.7
71.54734	1.0
73.01144	1.0
78.04715	1.2
79.05486	2.9
80.05003	1.1
81.07043	1.0
85.01151	0.9
86.92432	0.7
91.05479	0.9
93.05784	1.1
93.07030	1.1
93.73005	0.7
94.06560	3.5
95.08536	0.7
96.08189	0.7
100.50583	0.5
103.05486	1.0
104.04993	2.4
106.06577	3.2
108.08140	0.7
115.05791	0.7
118.06547	30.1
119.07352	4.6
120.03263	0.7
120.08112	21.7
124.07635	0.9
129.19475	0.6
130.06526	0.7
134.06010	2.5
146.05995	2.4
147.06786	2.2
149.04167	0.7
150.03754	5.2
150.05528	7.3
151.04553	2.1
152.05295	2.8
163.06300	0.9
164.07083	43.5
165.07866	100.0
166.08202	0.7
179.04086	1.0
196.04285	20.6
197.05035	1.7
234.18790	0.6
270.06287	1.4
270.09668	0.9
270.27975	0.8
272.58960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	3.9
55.01865	2.5
55.05515	19.6
57.03442	31.9
57.07073	6.5
58.99582	3.2
60.25785	1.8
60.56163	2.1
61.01144	2.8
65.03919	2.4
67.05508	67.0
68.76433	2.0
69.07076	31.7
69.68465	10.6
71.04999	3.5
73.01119	2.0
79.05496	42.4
79.36442	2.1
81.03431	3.0
81.07062	100.0
82.27210	2.0
83.04987	11.0
83.08632	15.6
85.02852	1.8
85.06532	3.7
91.05482	18.8
93.06471	3.5
93.07052	65.0
95.04955	7.1
95.08608	22.4
97.06529	15.9
98.20778	1.9
99.08076	4.3
104.98322	3.8
105.07004	9.3
107.08601	33.5
109.06527	4.6
109.10164	5.2
110.07175	4.1
111.02672	5.8
111.08085	7.2
112.03457	2.1
113.04237	31.6
117.07023	9.6
119.08595	5.0
121.10154	17.8
123.11673	2.5
129.03725	5.8
131.08559	9.0
133.10175	11.2
135.08054	3.1
135.11696	8.6
142.99850	3.3
143.08539	2.3
144.00623	5.3
145.01418	2.2
145.10072	2.6
149.09598	3.1
149.13255	45.0
159.11711	17.4
177.12758	7.0
185.56795	1.9
195.13821	12.3
269.17398	34.2
269.26831	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	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
53.11128	2.7
55.01868	4.7
55.05510	18.5
57.03442	33.5
57.07073	9.7
65.03937	2.8
65.05885	2.4
67.05508	78.9
67.26612	2.2
69.07075	29.0
69.80007	14.4
71.04982	6.2
73.01150	5.4
73.02890	3.0
79.05498	48.0
80.01948	2.4
80.68959	2.4
80.76145	2.8
81.07063	100.0
83.04984	9.7
83.08624	22.7
85.06552	5.7
91.05480	32.0
93.07051	71.6
95.04980	8.9
95.08606	29.6
97.06540	16.9
97.10139	2.8
99.08127	2.7
103.97559	2.4
105.07031	12.3
107.08595	42.2
109.06517	6.2
109.10141	7.5
111.04452	2.4
111.08092	7.3
112.03472	2.8
113.04247	8.4
117.07020	11.4
119.08597	3.5
121.06539	2.7
121.10150	24.7
123.11654	4.0
131.08569	11.4
133.10133	9.1
135.08122	2.8
135.11681	11.7
136.95552	2.8
147.11703	3.1
149.13255	55.9
157.10069	3.4
159.11664	20.5
177.12759	10.1
195.13799	9.1
211.11151	6.1
236.12091	3.5
241.15988	7.4
269.15298	33.5
269.17578	33.7
269.24844	2.8
288.41925	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1752
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03946	4.5
55.01863	3.0
55.05521	20.5
57.03189	2.2
57.03442	29.8
57.07062	7.1
58.99578	2.3
61.01159	2.6
61.52631	1.8
65.03944	2.2
67.05510	80.2
69.06733	2.5
69.07077	29.5
71.04980	5.7
71.55399	2.8
73.01137	4.6
73.02914	3.5
79.05064	3.1
79.05503	47.0
81.03425	2.2
81.07067	100.0
83.04967	9.2
83.08631	20.8
85.00642	3.1
85.01131	43.3
85.06534	9.0
91.05484	24.9
91.93988	2.1
93.07050	68.9
95.04967	9.1
95.08622	24.1
97.06551	20.3
97.10172	2.5
99.02662	2.3
99.08089	4.6
104.98322	5.4
105.07016	12.4
107.08601	40.6
109.10168	6.3
110.07143	2.9
111.02660	2.6
111.08073	9.2
113.04252	9.9
113.09653	1.9
115.05790	3.5
117.07042	11.2
118.99801	2.1
119.08590	4.4
121.06461	3.5
121.10168	16.8
123.11721	2.4
131.08600	11.5
133.10159	13.7
135.08038	3.4
135.11726	10.5
136.06239	3.2
136.95514	3.0
142.99873	22.5
147.03052	2.0
149.09676	3.1
149.13277	43.7
151.03784	2.3
151.11137	3.0
157.01405	23.3
158.02177	7.2
159.11720	24.4
159.12906	3.7
167.14372	2.3
177.12819	10.5
188.98621	3.3
190.45134	2.1
195.13860	15.8
212.96211	2.1
250.35054	2.1
268.96140	4.9
269.17416	54.7
269.26758	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	269.1612
Annotation	Histidylleucine
Peak:m/z	Relative Intensity
50.09322	0.2
54.03466	0.2
56.05045	1.4
56.96571	1.5
58.41031	0.2
58.63850	0.2
60.04530	4.5
61.01121	0.2
70.06592	1.2
71.53925	0.5
72.08165	0.3
73.35928	0.2
78.70743	0.2
79.49874	0.2
81.04554	1.0
82.02985	0.2
82.05349	0.5
82.54256	0.2
83.06112	9.3
84.04009	0.2
84.04523	0.7
84.08149	1.3
86.09726	1.4
87.05611	0.3
87.96352	0.2
88.03996	0.3
91.05482	1.8
93.04534	7.6
95.06097	1.6
96.36327	0.2
96.53564	0.2
97.02923	0.3
98.97607	0.7
107.04914	0.2
110.07174	100.0
110.97559	0.4
114.05518	0.3
115.83960	0.2
116.07132	0.3
116.98665	0.3
119.01902	0.3
119.04956	1.4
120.08110	0.6
121.04066	0.3
123.04455	1.3
129.10271	0.5
131.01904	0.4
132.10201	0.2
136.06244	1.0
136.07590	9.0
137.06516	0.8
138.06625	3.4
143.01927	0.4
147.04407	0.5
148.07492	0.3
156.07704	6.8
160.07626	0.3
164.07056	0.4
165.05479	2.3
166.06140	0.6
178.13422	3.3
182.08131	3.8
186.99345	0.3
200.07506	0.3
206.12869	0.4
223.10861	1.5
223.13333	0.4
223.15552	6.8
223.17651	0.4
233.06686	0.3
234.01218	0.4
235.01933	0.3
239.03972	0.4
251.09964	0.3
251.15063	7.7
269.11182	1.0
269.16095	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	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03923	4.4
55.01849	3.0
55.05514	21.2
57.03440	30.8
57.07052	4.2
58.99565	2.7
60.40641	1.1
61.01120	4.8
65.03897	3.3
66.04663	1.0
67.05508	68.3
69.03407	1.4
69.07070	28.6
69.08192	1.1
69.64973	1.0
70.06567	2.0
71.04987	6.3
71.08604	1.3
71.55020	1.8
73.01144	12.9
75.02670	1.2
79.05495	45.1
80.85381	1.1
81.03402	2.7
81.07059	100.0
83.04978	10.5
83.08623	21.3
84.08100	1.7
85.01108	1.9
85.06535	8.5
86.09679	1.4
91.04992	1.5
91.05485	21.8
93.07047	66.9
95.04975	5.3
95.08614	27.6
97.06535	17.7
97.10155	2.8
99.02644	4.1
99.04430	1.3
99.08050	3.6
101.04227	2.4
103.97520	1.6
104.98318	11.8
105.07040	11.2
107.08595	39.8
109.06461	3.9
109.10126	5.4
110.07104	3.3
111.02602	3.0
111.08079	9.2
111.11697	1.8
112.03405	3.3
113.03532	1.5
113.04238	21.9
113.09592	1.3
114.04958	5.1
115.03745	3.5
115.05717	5.1
116.98245	2.9
117.07008	11.0
118.99908	7.0
119.08528	4.0
120.97752	1.3
121.06461	2.4
121.10155	21.9
123.08065	1.0
123.11620	3.5
125.09591	2.5
128.06177	1.4
129.03676	1.3
129.06972	1.1
131.08574	10.7
133.10136	10.7
135.08002	1.2
135.11687	11.1
136.95483	1.6
139.11107	1.7
141.06937	1.3
142.99840	1.2
143.08487	3.5
144.00624	2.0
145.01315	4.1
145.10031	3.9
147.02925	3.0
147.11630	3.9
149.09573	1.7
149.13263	47.7
151.11130	1.1
157.10046	3.2
159.10493	1.6
159.11697	21.5
161.13232	1.7
164.06989	1.2
167.14159	1.3
171.11624	1.7
177.12787	11.3
179.00102	3.1
185.13278	2.2
195.11859	1.8
195.13800	12.9
199.14833	1.2
207.61189	1.2
209.13243	1.5
213.14629	1.6
213.16429	2.7
215.17935	1.1
228.58853	1.2
251.17874	1.7
251.20082	1.4
269.07913	4.9
269.12579	2.8
269.17328	41.6
269.22491	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	269.1135
Annotation	H-Ser-Tyr-OH
Peak:m/z	Relative Intensity
51.71359	0.6
53.83520	0.7
56.05023	1.9
56.96570	4.8
60.04528	66.3
69.03408	1.4
69.07027	0.7
70.02942	1.4
70.06583	2.6
71.54877	1.3
72.08157	1.5
81.07059	0.8
81.53961	0.8
83.06110	10.9
84.08136	4.9
85.02912	1.5
86.09721	3.5
87.05595	3.3
88.03969	0.9
91.05482	8.4
93.04525	7.0
94.30092	0.7
95.04951	1.9
95.06084	1.3
97.02881	0.8
98.97574	3.6
107.04946	2.0
110.07168	100.0
110.97591	0.9
114.57984	0.7
116.98620	2.8
119.01926	1.2
119.04959	15.8
120.08086	1.3
121.06516	1.4
123.04443	18.0
123.05334	1.3
125.87232	0.7
128.98593	0.8
129.10240	1.3
135.06700	0.9
136.06212	11.4
136.07584	63.5
137.04570	3.8
137.06647	12.5
138.06638	3.1
147.04416	8.5
148.07539	1.1
154.94183	1.0
156.07693	8.8
160.07607	3.2
165.05479	34.2
169.99107	0.8
172.95253	1.7
174.99150	0.7
178.08653	2.9
178.13446	2.8
182.08134	61.2
183.08540	0.8
186.04488	0.9
186.96780	1.1
205.09761	0.9
223.10803	22.2
223.15555	6.4
227.04007	0.9
228.05528	0.8
234.99902	0.8
251.10495	4.4
251.15063	8.7
261.01389	0.9
269.11288	13.7
269.16052	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	269.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.5
57.03439	6.0
58.99582	13.9
60.05211	2.9
61.01161	19.3
67.05514	8.5
69.07074	24.0
70.73820	6.3
70.74197	6.5
70.99586	100.0
72.00365	31.4
73.01149	64.5
75.02700	4.5
79.05501	33.1
79.78561	3.0
79.96462	2.5
81.06635	3.1
81.07060	17.8
83.08631	5.8
85.01143	7.5
89.00608	4.1
90.01418	16.2
91.02173	12.5
91.05492	5.5
93.07064	7.3
95.04987	4.2
95.08614	8.3
97.01134	14.8
97.06512	3.0
97.10144	2.9
98.01935	3.9
99.02679	14.3
101.04253	8.1
102.96767	16.9
103.97530	4.3
104.98320	53.5
105.99123	3.3
107.08568	6.2
107.66179	3.4
110.01829	3.9
111.02679	24.5
112.03467	39.3
112.06259	2.9
112.82219	2.7
113.04234	72.6
114.05004	5.4
115.03853	2.9
115.05807	6.4
116.98306	14.0
118.99840	5.6
119.08579	4.8
121.10158	4.5
122.99384	2.7
129.03729	3.8
131.08534	5.2
133.10123	3.9
136.95515	11.5
138.95081	10.5
142.99873	27.4
144.00638	81.9
145.01346	5.5
146.02176	4.6
147.02983	5.2
159.11673	3.5
171.11685	4.3
179.00177	13.3
185.13202	3.2
197.01155	4.4
253.13441	5.0
254.14095	7.3
268.26453	3.5
269.15204	14.2
269.19077	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	269.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42229	0.4
55.05508	1.5
57.07072	1.3
58.99591	5.4
61.01151	1.5
65.03940	0.5
65.63586	0.4
66.07871	0.4
67.05507	4.4
69.07070	4.2
70.51722	1.1
70.52051	0.5
70.99583	0.8
71.08650	0.5
72.41792	0.4
73.01124	2.0
75.02690	0.4
76.42883	0.4
79.05063	0.7
79.05499	8.4
81.07057	1.9
83.08626	0.9
85.01134	1.7
91.05497	0.5
92.94686	0.7
93.07034	0.8
95.04963	2.1
95.08621	1.4
96.05757	1.3
96.34972	0.6
96.92403	1.3
97.01106	1.5
97.06538	1.3
98.01884	0.5
99.02676	2.2
101.04259	4.7
103.97549	1.0
104.98326	6.9
107.08622	0.6
109.10125	0.6
110.07135	0.5
111.02673	12.3
112.03460	7.4
113.04237	100.0
115.02142	1.4
115.05824	0.6
116.98319	2.6
119.08598	0.5
121.10130	0.7
125.00562	0.7
128.18335	0.4
129.03716	11.3
129.06970	0.5
130.04474	2.6
130.99844	1.0
131.08540	0.7
133.10106	0.5
135.07993	0.5
135.94644	0.5
138.97075	1.5
142.99846	4.4
144.00641	18.0
145.01434	3.0
145.10196	0.5
146.02196	0.6
155.08588	0.5
161.00945	3.0
169.10104	0.5
174.97079	1.1
181.09866	0.5
192.98181	1.3
195.91420	3.1
222.18515	0.5
251.18025	0.7
268.26382	3.9
268.92587	1.3
269.01620	3.2
269.19095	2.4
269.26770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95403	0.7
55.05518	7.1
57.03420	1.8
58.99591	10.3
61.00883	0.9
61.01157	12.6
63.94449	1.2
67.05509	7.3
69.07076	6.3
70.99590	4.2
71.05019	0.9
71.08636	1.0
71.13612	1.7
72.00342	3.4
73.01145	100.0
79.05491	6.6
81.07067	12.4
82.07829	0.8
83.08630	6.9
85.01118	3.0
85.01619	0.7
85.06547	0.9
86.99052	1.0
87.02685	2.2
89.00623	1.8
90.01413	5.4
91.05469	2.7
93.07038	5.8
95.04961	1.2
95.08595	2.5
96.42088	0.8
97.06522	4.0
99.02699	3.9
101.04245	1.7
102.96775	9.7
103.97542	37.9
104.98325	23.2
105.07018	2.0
105.99099	3.3
107.08590	3.8
109.10156	2.1
111.02694	1.7
112.03411	2.6
113.04235	15.2
114.05033	4.4
115.05790	5.5
116.98273	4.8
117.06995	0.9
118.99877	8.9
119.08576	1.9
121.10150	2.2
129.03716	1.3
131.08549	2.7
133.10118	2.2
134.99364	1.3
135.11668	1.9
136.95490	59.3
138.95152	0.7
143.08606	1.4
145.01424	7.1
145.10080	1.1
146.02161	1.0
147.03000	4.3
149.13274	3.4
157.10130	1.7
159.11731	3.4
161.00948	0.9
165.07887	1.3
171.11687	1.3
173.13237	1.3
179.00189	2.8
185.13295	1.8
194.99706	4.8
195.13814	1.2
199.14809	0.8
227.14233	0.9
268.30359	0.8
269.08038	1.0
269.19028	4.3
269.22406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.07107	0.1
55.01868	0.2
57.03441	0.3
61.02916	0.2
69.03426	0.2
71.35172	0.2
73.02896	0.2
85.02927	0.2
94.04047	0.5
97.02921	0.2
113.29765	0.1
119.03571	1.1
136.06198	100.0
137.04605	0.6
137.06509	0.4
264.89380	0.2
268.10458	4.8
268.13260	0.3
271.89798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1341
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
53.03950	0.9
54.54870	0.7
56.05040	18.4
57.03433	3.4
58.06602	3.7
60.88424	0.8
71.12694	0.9
72.08160	0.9
73.28774	0.7
74.06082	100.0
74.67409	0.6
82.65200	0.7
84.04510	27.1
84.08180	1.1
85.02914	1.1
91.05472	3.9
93.07040	6.0
95.04922	0.8
101.07146	1.8
102.05531	0.9
103.05457	4.6
117.19127	0.8
120.04520	1.0
120.08112	56.3
121.06512	94.3
122.06865	1.0
130.05009	13.3
131.04950	2.1
136.06204	2.9
138.09149	13.2
149.05980	1.0
153.57948	0.6
166.08647	39.7
176.10724	0.7
177.10239	0.9
203.11839	1.9
209.83592	0.8
221.12828	9.8
249.12331	4.1
250.10759	13.0
267.13400	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01877	0.3
57.03438	0.6
61.02958	0.1
69.03423	0.2
70.73317	0.3
71.01346	0.2
73.02927	0.3
79.00783	0.1
85.02909	0.4
93.98563	0.1
94.04090	0.3
97.02914	0.1
100.54270	0.1
119.03563	0.9
136.06195	100.0
137.04579	0.3
137.06572	0.3
144.45976	0.2
161.46715	0.1
216.56485	0.1
231.50824	0.2
268.10410	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	267.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.21673	0.4
55.01870	1.7
55.05502	1.4
57.03433	0.8
58.06595	0.8
58.99574	0.5
65.03935	0.4
67.05508	4.8
69.07069	1.0
71.04981	1.0
71.56213	0.4
73.01151	0.8
79.05499	5.1
81.03416	1.8
81.07063	27.3
83.04985	3.5
85.06546	17.1
86.98922	0.4
91.05468	1.7
93.07043	1.3
95.04973	41.9
95.08595	1.5
97.06550	0.9
99.02678	0.5
99.04454	0.6
99.08117	0.8
105.06995	1.1
107.04960	0.8
107.08626	0.7
109.06520	23.9
109.10104	0.7
113.04259	1.2
113.06021	1.6
119.08574	1.2
123.08034	0.6
123.11728	0.9
127.07560	100.0
128.07935	0.6
133.10162	0.9
135.08093	0.5
136.06215	1.2
137.05989	1.0
139.03896	3.7
142.99777	0.5
147.08049	0.6
147.11697	1.2
151.07643	0.4
153.05447	0.4
155.07036	24.0
157.10045	0.4
159.21123	0.4
162.05833	1.1
165.09158	0.5
165.12770	0.6
175.07613	0.6
176.04701	1.2
189.09200	0.4
191.07062	4.2
207.10123	0.7
210.05795	0.5
249.11227	13.5
249.18535	0.4
267.12317	1.8
267.15744	2.3
267.20996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.3
53.03943	0.4
55.01871	1.3
55.05516	10.6
57.07084	1.9
58.06598	0.4
62.99085	0.8
67.05511	2.1
69.07072	100.0
70.07407	0.4
71.46830	0.3
72.31861	0.2
73.01144	0.5
73.02930	0.5
74.99072	1.0
79.05509	0.2
81.03454	0.3
81.07074	0.3
83.08626	1.3
83.28950	0.2
85.55451	0.2
87.02679	0.2
89.02412	0.3
93.00092	1.8
99.23975	0.2
102.98552	1.3
111.11729	11.4
120.08119	0.4
120.99577	9.3
136.06169	0.2
139.00626	0.8
143.08795	0.2
161.09984	1.8
164.78772	0.2
182.59705	0.2
196.74715	0.2
203.11095	0.4
221.20802	0.2
221.22881	0.2
249.11577	12.1
267.12640	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	267.0002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05509	0.3
56.96581	0.3
58.99589	2.9
61.01159	1.5
65.03933	0.4
67.05513	2.0
68.06281	0.3
69.07071	2.2
69.80967	0.7
69.81377	0.6
70.99600	0.3
71.04999	0.3
72.00364	0.4
73.01148	5.4
75.02695	0.4
79.05499	7.2
80.06284	0.3
81.03426	0.6
81.07049	1.0
83.04990	0.4
85.01128	1.5
86.99042	0.2
87.02711	0.3
91.05529	0.2
93.79932	0.2
95.04966	1.5
95.08618	0.5
96.05759	0.9
97.01120	1.1
97.06535	0.6
98.01894	0.7
98.20782	0.2
99.02699	1.6
101.04252	3.4
102.96768	0.9
103.47164	0.2
103.97545	2.1
104.98325	2.1
105.07023	0.2
107.04970	1.7
109.10155	0.4
111.02674	6.9
112.03461	5.7
113.04237	100.0
114.04565	0.5
115.02170	0.8
116.98297	1.4
119.08583	0.2
127.02176	0.5
128.02896	0.5
129.03712	10.3
130.04494	1.5
130.99867	0.6
136.95467	1.5
142.99867	3.0
144.00632	9.6
145.01434	2.9
146.02197	1.7
155.01620	0.3
158.99339	0.3
159.01074	0.3
161.00905	3.0
169.01364	0.5
192.98195	0.5
193.98854	1.0
213.04028	0.2
222.04544	0.4
244.05681	0.3
266.24847	0.5
267.00110	1.5
267.12283	0.5
270.63727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.8
57.07082	2.7
62.99078	7.0
67.05515	2.0
69.07075	29.2
70.02953	2.7
70.06604	0.7
71.54729	0.5
72.08155	0.9
73.01139	0.5
73.02924	0.5
74.00673	0.7
76.10050	0.4
77.00634	1.2
77.17970	0.3
78.74535	0.3
83.08648	0.4
84.04502	0.6
84.08157	0.8
86.09732	1.8
87.02695	3.0
88.04000	100.0
95.04987	0.4
97.10199	0.5
98.97588	0.5
101.04228	0.5
102.98553	0.4
109.02917	0.5
109.10156	1.6
110.07230	0.6
111.11719	1.1
120.01159	1.0
120.08132	1.9
120.99588	4.1
129.10303	0.8
138.02216	5.0
138.09196	0.4
141.76753	0.3
143.08913	2.2
148.07549	0.4
155.48616	0.4
159.08420	0.4
159.36909	0.4
161.09975	33.7
192.06604	1.3
220.13725	1.2
248.13191	3.8
266.10214	0.9
266.14102	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20663	0.3
53.03943	0.8
55.05527	0.5
57.07084	0.4
58.99584	3.1
61.01162	1.6
65.03924	0.6
67.05511	2.1
67.41075	0.3
69.07066	2.5
70.99594	0.6
71.17970	0.7
72.00372	0.4
73.01149	6.5
75.02709	0.4
76.28912	0.3
79.05061	0.5
79.05498	8.5
79.05956	0.5
80.06295	0.4
81.07050	0.9
83.04961	0.4
85.01137	1.8
88.02578	0.3
93.07029	0.6
95.04967	1.7
95.08628	0.7
96.05762	1.4
97.01116	1.3
97.06548	0.6
98.01909	0.8
99.02696	2.2
101.04248	4.0
102.96759	1.2
103.97543	2.5
104.98319	2.1
105.07006	0.5
109.10184	0.3
110.75466	0.3
111.02671	7.5
112.03465	5.5
113.04238	100.0
114.04438	0.3
115.02176	1.2
116.98317	2.5
118.55054	0.3
119.08589	0.4
127.02161	0.8
129.03709	9.6
130.04483	1.4
130.99838	0.4
136.95456	2.0
142.99866	3.5
144.00638	10.8
145.01421	2.4
146.02243	1.7
161.00916	3.2
163.02357	0.4
174.97076	0.6
192.98228	0.4
193.98926	1.3
267.00027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36389	0.2
82.99863	0.3
91.69807	0.1
101.00885	4.5
116.98824	0.3
119.01926	10.5
120.01977	0.2
122.95906	0.1
122.97775	0.2
133.03467	0.1
134.99883	0.8
137.02969	1.4
140.81667	0.1
140.98840	0.6
142.03535	0.2
153.00969	0.2
158.99899	2.4
160.40082	0.1
165.99652	0.1
175.03058	0.4
177.00957	23.4
178.01033	0.5
182.99796	0.7
193.04129	0.3
195.02007	0.3
199.03009	0.2
200.02573	0.2
201.00938	2.1
201.02586	0.3
217.04108	3.3
219.02014	25.0
219.94569	0.4
220.02177	0.7
225.00865	2.1
225.02779	0.2
233.03514	0.2
234.00809	0.2
237.95529	0.2
242.03648	0.2
242.96204	0.4
243.01990	11.5
244.02217	0.2
254.62338	0.1
261.03067	100.0
262.03232	2.3
263.03549	0.4
266.03494	0.5
275.04654	1.0
284.04675	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	265.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27952	0.3
55.01878	0.6
55.05516	3.1
55.13744	0.2
56.05039	0.3
57.03450	0.4
65.03947	3.5
67.05510	100.0
69.03442	0.3
69.07074	1.2
69.73333	0.8
69.73748	0.8
70.06594	0.9
72.08157	1.9
73.02923	0.4
79.05500	2.2
81.03406	0.3
81.04546	0.3
81.07063	10.8
84.08159	1.3
86.09720	1.8
89.02419	0.3
91.05488	0.6
93.07027	0.6
95.04991	0.4
95.08637	0.3
97.06547	0.4
97.72905	0.3
105.07043	0.5
107.08576	1.7
109.02843	0.2
109.10163	37.8
110.79952	0.3
119.08588	0.3
120.08134	1.4
120.99557	2.1
121.02887	0.6
121.10152	0.3
122.07154	2.5
123.08050	0.3
129.10255	1.0
136.18385	0.3
139.00636	0.3
144.04793	0.5
159.08342	0.9
177.07005	0.3
189.09273	0.3
195.03209	0.4
205.06557	0.4
222.06764	0.5
247.10011	10.0
249.04108	0.3
265.08505	1.3
265.11023	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	265.1549
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03940	0.6
55.05514	12.5
56.05033	0.9
57.05824	1.2
70.06574	0.3
70.09955	0.5
70.10347	0.6
72.08157	100.0
83.08633	0.3
84.04526	0.6
84.08161	0.6
86.09696	0.3
86.26565	0.3
98.21453	0.3
103.05450	0.3
106.04970	0.3
107.99392	0.3
119.98708	0.3
120.08112	13.6
122.07120	0.5
129.10324	0.3
131.04958	0.6
144.04788	0.3
149.05965	0.3
164.64322	0.3
166.08652	9.9
170.06075	0.3
177.05533	0.4
202.11403	0.3
219.14932	0.5
230.72707	0.3
265.08661	0.4
265.15454	2.5
265.35760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	12.1
55.05508	1.9
56.05033	2.3
56.96571	9.9
57.03440	1.4
58.99580	3.7
60.86869	1.1
61.01160	2.0
61.02939	1.5
62.99067	1.3
67.05492	1.3
69.03432	89.4
69.07043	1.4
69.64454	7.2
70.06586	5.1
72.08145	1.2
73.01144	10.4
73.02888	1.3
74.00671	13.2
74.02455	1.6
74.06069	1.5
76.02233	1.6
76.04005	1.7
80.05031	1.4
81.04549	14.8
84.04499	13.5
84.08141	3.8
84.08874	1.1
85.02914	6.7
86.09708	4.3
86.99059	2.2
87.04446	1.2
88.02234	2.0
88.03997	3.2
91.02173	4.8
97.02876	3.7
97.95454	1.0
98.97577	8.4
99.02680	21.2
101.04225	2.8
102.05521	1.5
103.00665	2.4
104.05346	1.4
110.07176	2.3
110.97588	2.4
112.04008	9.4
115.00602	1.8
116.01685	21.7
116.05333	13.4
116.98613	3.4
117.03733	1.6
119.01649	38.8
121.01675	7.4
122.07160	100.0
126.05521	1.4
127.02138	11.5
127.03897	3.0
128.98601	2.5
129.10246	2.0
130.05011	27.2
131.00146	1.0
133.01685	2.2
133.03302	2.4
134.99605	1.6
143.00186	1.2
144.01152	38.6
144.04794	49.7
145.01611	5.3
145.03198	1.5
145.05017	1.2
149.01218	2.6
150.05811	3.1
153.03929	1.2
157.01688	1.3
158.99670	1.8
159.03302	1.3
160.00620	2.7
161.02927	2.4
162.02133	6.5
162.05844	15.3
163.02725	10.3
171.04991	2.8
171.07603	1.5
172.04289	12.0
173.02824	1.5
175.02773	4.2
175.04405	2.4
184.04843	2.6
193.03749	2.9
202.05357	2.1
205.00198	3.6
205.03889	1.7
219.01788	3.2
219.07996	1.9
223.01216	3.0
229.06487	2.3
230.04848	52.2
237.02814	1.4
242.03377	2.8
247.01126	2.1
247.05095	1.4
247.07484	4.5
248.05893	29.9
261.02914	1.7
265.05997	3.3
265.08524	10.2
265.11142	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2373
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03938	2.3
55.01876	1.6
55.05516	15.7
57.03431	1.9
57.07079	11.6
65.03940	2.7
67.05512	88.0
69.03423	1.2
69.07075	19.4
71.08645	5.6
71.29869	1.8
73.59813	1.1
75.47573	0.9
79.05499	22.1
81.07065	100.0
83.04974	3.5
83.08633	11.4
85.06532	4.4
85.10182	2.0
85.76936	0.9
91.05489	18.6
93.07057	22.5
95.04959	2.2
95.08615	81.5
97.06522	8.1
97.10202	5.9
99.08109	5.5
105.07038	9.7
107.08596	12.9
109.06544	2.9
109.10166	39.7
111.08092	3.8
113.09641	2.8
119.05906	0.9
119.08601	13.5
121.06449	1.1
121.10162	16.9
123.08082	3.4
123.11723	19.2
127.11164	2.7
133.10115	14.0
135.11699	10.1
137.09579	2.0
137.13242	7.4
141.12735	1.4
147.11682	9.1
149.13275	7.5
151.14792	5.6
155.14371	1.8
157.10135	1.7
161.09607	1.3
161.13271	9.6
163.14827	7.3
165.16441	7.5
175.14789	6.7
177.16422	1.5
179.17949	3.9
189.14774	1.0
189.16385	3.3
193.10075	1.8
206.11024	1.3
207.11801	2.2
208.12502	1.4
219.11774	1.1
221.13223	2.6
233.13196	3.3
245.22656	29.0
248.15515	1.8
263.14319	2.0
263.17905	11.5
263.20605	2.1
263.23727	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.99919	0.6
53.03947	1.7
55.01861	1.0
55.05515	15.1
57.03438	1.8
57.06817	1.1
57.07077	12.1
65.03944	2.1
67.05508	91.0
69.07072	15.6
69.39586	5.1
71.04994	1.7
71.08639	6.7
79.05495	23.7
81.07061	100.0
83.04977	2.4
83.08624	14.9
85.06557	5.1
85.10195	3.3
91.05486	17.8
93.06465	1.3
93.07048	24.8
95.04982	2.4
95.08611	88.4
97.06538	8.0
97.10183	6.8
98.21503	1.3
99.08095	5.4
101.09756	0.6
105.07037	11.0
107.08598	15.9
109.06512	2.0
109.10161	46.4
111.08097	5.3
113.09654	3.1
115.67980	0.6
119.08584	12.6
119.09361	1.2
121.10148	15.3
123.08084	2.7
123.11713	20.6
125.09628	1.3
127.11194	1.9
131.08498	0.7
133.10141	12.7
135.11719	9.7
137.09644	2.5
137.13263	8.8
139.11136	0.7
141.12743	1.5
145.10083	0.8
147.11696	9.8
149.13277	9.0
151.11179	1.1
151.14830	7.6
153.12878	0.9
155.14337	1.3
161.13269	9.6
163.14825	7.4
165.16414	9.0
167.14409	0.9
175.14877	6.9
177.16435	2.0
179.17943	4.4
181.15866	2.0
189.16408	4.3
204.13370	1.1
217.19476	1.3
219.21120	0.7
236.76198	0.6
245.22661	30.9
247.11635	2.4
248.12318	1.1
263.12167	1.0
263.14743	13.3
263.17700	1.6
263.23715	78.5
264.24051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	1.1
56.96570	100.0
57.03418	0.8
69.03402	1.0
69.40110	7.1
70.06589	1.6
70.98107	0.8
71.95255	2.4
72.08141	2.0
72.96065	4.8
73.02892	0.9
74.97607	1.0
75.71742	0.8
78.27260	0.8
83.97622	3.1
84.04488	1.6
84.08122	2.2
85.02888	2.3
86.09718	1.7
97.02877	0.9
98.97590	15.6
110.07176	1.6
113.31120	0.8
116.98634	8.2
120.08139	1.0
134.99657	2.9
142.38559	0.8
144.96805	1.2
162.05519	1.2
165.02214	1.9
167.03813	1.9
174.02969	0.8
174.11227	0.8
176.03857	15.9
178.05428	12.4
181.01735	3.2
183.03342	6.9
190.01775	1.1
192.03317	2.9
194.04950	6.5
196.06487	7.0
197.01309	1.6
199.02586	0.8
201.04375	6.0
204.03348	8.5
208.02794	8.2
210.04442	1.7
222.04404	75.8
223.01683	1.3
223.04561	0.9
226.03827	4.6
237.02806	0.8
240.05455	64.2
245.05959	3.0
248.48718	0.9
254.07147	1.3
263.06989	0.9
264.05475	18.1
264.12231	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	2.4
55.01871	1.8
55.05518	14.4
57.03416	1.9
57.07088	8.5
58.68488	1.6
65.03937	2.3
67.05508	99.0
67.38288	1.2
69.03431	1.6
69.07063	16.1
69.73022	1.4
71.04974	2.0
71.08631	3.4
71.55482	2.1
78.20099	1.2
79.05064	1.7
79.05493	25.0
81.03436	1.6
81.07060	100.0
83.04971	4.0
83.08614	10.2
85.06538	3.1
85.10175	2.1
90.45329	1.6
91.05480	16.5
92.48507	1.3
93.07047	27.4
93.48727	1.3
95.04979	3.4
95.08612	77.5
97.06531	4.0
97.10162	5.7
99.08077	3.0
99.87138	1.2
102.31261	1.2
105.07019	10.0
107.08603	12.4
109.10159	40.1
111.08052	3.1
119.08575	11.0
121.10139	10.8
123.11717	20.4
131.08702	1.6
133.10124	9.5
135.11705	9.4
137.09587	2.5
137.13264	10.7
147.11684	6.5
149.13248	6.5
151.11180	1.8
151.14815	3.5
161.13220	8.0
163.14856	5.8
165.16309	2.0
175.14792	5.2
177.16403	2.3
189.16264	1.7
233.13120	1.7
245.22639	10.4
263.18124	3.5
263.23703	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01873	1.0
55.05513	16.5
57.03435	2.2
57.07079	12.3
65.03946	1.9
67.05509	87.5
69.03421	1.1
69.07071	19.0
69.53802	3.0
69.54231	2.2
71.05005	2.7
71.08638	8.5
79.05495	21.1
81.07061	100.0
83.04982	2.5
83.08623	15.3
85.06553	3.3
85.10193	3.0
91.05488	19.4
93.07049	26.5
95.04964	2.5
95.08613	89.3
97.06535	7.7
97.10185	7.0
98.20738	0.8
99.08102	6.1
105.07031	12.8
107.08600	15.6
109.06508	1.9
109.10161	48.5
111.08087	4.7
111.11727	1.0
113.09660	4.2
119.08585	12.3
121.10155	16.5
121.24760	0.8
123.08076	2.8
123.11717	18.6
125.09623	1.0
127.11205	2.1
131.08592	1.1
133.10149	14.9
135.11696	8.6
137.09624	2.8
137.13261	8.8
141.12767	1.9
147.11702	10.6
149.13272	7.9
151.11182	2.3
151.14816	9.7
155.14288	1.2
161.13249	11.1
163.14838	9.4
165.12759	0.9
165.16379	8.7
167.14323	1.0
175.14819	8.0
177.16377	1.6
179.17950	3.1
181.15907	1.3
187.88042	0.7
189.16373	3.8
203.17941	1.7
217.19530	1.6
221.13318	0.9
245.22662	31.6
248.12248	0.8
259.84930	0.7
263.23715	74.5
264.23737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03955	1.5
53.47782	0.5
55.01878	1.0
55.05518	16.0
57.03438	1.3
57.07082	10.9
65.03959	3.2
67.05511	87.3
69.07073	17.1
69.07454	0.9
70.38867	0.9
70.39234	1.2
71.05009	1.4
71.08637	4.6
79.05145	0.4
79.05501	22.0
81.07065	100.0
83.04984	2.2
83.08623	12.4
85.06550	3.1
85.10207	2.2
91.05486	15.8
93.07056	24.8
95.04989	2.4
95.08616	81.8
97.06532	6.5
97.10183	6.1
99.08102	4.8
99.98340	0.5
105.07043	12.1
105.07690	0.4
107.08609	13.1
108.56047	0.5
109.06548	0.8
109.10168	40.6
111.08076	4.4
113.09668	2.8
117.06937	0.6
119.08582	11.4
121.10155	14.6
123.08080	1.8
123.11720	17.2
125.09703	1.2
127.11224	1.8
133.10139	14.8
135.11708	8.2
137.09648	2.7
137.13275	6.8
141.12787	1.1
147.11705	8.4
149.13249	7.1
151.11186	1.1
151.14835	5.9
153.12762	1.0
155.08482	0.6
155.14330	1.0
161.13266	8.9
163.14850	6.6
165.12845	0.9
165.16423	6.5
175.14857	6.3
177.16400	1.6
179.17963	2.2
181.15942	1.3
189.16469	2.7
191.17967	0.8
193.10155	0.8
193.15880	0.7
203.17931	1.3
207.11700	0.9
216.00452	0.5
217.19566	1.2
219.21078	0.9
220.12497	0.9
221.13268	1.2
221.19118	0.7
233.13252	1.4
245.22682	22.5
248.15421	0.7
263.14383	1.0
263.17917	5.1
263.23724	55.1
264.24161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1427
Annotation	H-Ile-Met-OH
Peak:m/z	Relative Intensity
55.05508	0.5
56.05029	1.9
56.96568	0.5
57.03450	0.5
58.06600	0.4
61.01151	0.6
67.05491	0.7
67.47317	0.4
69.03438	0.6
69.06721	0.8
69.07076	13.0
70.02964	1.1
70.06594	12.3
70.89806	1.1
72.08158	1.4
73.02925	0.5
74.06096	0.7
79.05482	0.5
83.04943	0.6
84.04515	1.5
84.08135	1.9
85.02907	1.4
86.09711	100.0
87.10036	0.5
91.05492	2.5
95.05029	0.4
97.02882	1.2
98.97605	1.0
102.05537	0.5
103.05447	0.6
104.05362	2.3
105.07088	0.9
107.04983	0.6
110.07191	0.9
116.97537	0.4
116.98548	0.5
119.01891	0.8
120.08090	2.4
127.03928	0.8
129.10248	0.9
130.06581	0.8
133.03201	2.2
136.07585	1.1
150.05859	7.8
161.02982	1.7
169.13371	1.2
171.11632	0.7
173.02954	0.6
175.08723	1.2
177.00816	0.5
182.03406	0.8
182.06003	0.6
191.03973	1.5
191.54187	0.6
199.11191	0.9
200.07097	1.0
215.13699	0.4
217.12167	0.8
227.10860	0.6
237.02950	0.7
245.11836	1.3
246.07523	0.4
263.06076	0.9
263.09995	0.5
263.14334	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	263.1429
Annotation	H-Ile-Met-OH
Peak:m/z	Relative Intensity
50.61705	0.3
51.86924	0.4
55.05513	0.5
56.05040	4.9
56.83713	0.4
60.04499	0.4
61.01144	2.0
65.49784	0.4
68.05021	0.4
69.03433	0.5
69.07070	1.5
69.87991	1.7
70.06597	20.5
70.70457	0.3
71.87066	0.3
72.08170	2.7
74.06082	1.1
74.19762	0.4
79.05488	0.7
81.03458	0.4
81.07067	0.4
83.04994	0.5
84.04510	1.3
84.08149	5.0
85.02924	0.7
86.09711	100.0
87.10036	0.7
88.03994	0.4
91.05490	1.7
93.07037	0.5
95.04979	0.6
95.08625	0.6
98.20727	0.5
102.05542	1.1
104.05334	6.6
105.07001	0.4
107.04988	0.7
107.08633	1.1
109.06503	0.4
110.07201	1.6
112.40070	0.4
119.08592	0.6
120.08108	3.4
121.02870	0.6
123.08104	0.5
124.11237	0.7
129.10246	2.8
130.05003	0.8
130.06514	1.0
131.06920	0.4
131.08636	0.5
133.03203	4.4
133.06500	0.8
133.10196	0.5
136.07602	1.2
144.08051	0.6
145.08388	0.4
147.08066	0.5
150.05856	15.6
161.06061	0.6
169.13379	2.2
171.11732	0.5
175.08777	0.5
182.03482	0.4
189.05513	0.8
189.07356	0.4
199.11240	0.8
203.07095	0.5
215.13954	1.1
217.09789	0.9
217.11852	0.6
217.13846	1.7
227.10916	0.6
235.10953	1.0
245.11905	0.8
263.10306	0.7
263.14200	8.5
275.10806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.41582	0.5
53.03948	1.6
55.01876	1.0
55.05513	15.1
57.03439	1.4
57.07079	11.8
65.03949	2.8
65.04245	0.5
67.05508	89.1
69.07072	17.6
69.07449	0.6
70.38533	1.3
71.04993	2.1
71.08639	6.9
79.05497	21.6
81.07062	100.0
82.07431	0.5
83.04992	2.5
83.08625	13.2
85.06559	3.8
85.10192	3.2
89.51796	0.5
91.05486	17.7
93.07050	24.7
95.04984	2.8
95.08612	87.6
96.08953	0.7
97.06532	5.9
97.10168	6.7
99.08093	5.2
103.27657	0.5
105.07041	12.3
107.08607	15.3
107.71901	0.5
109.06536	1.5
109.10165	46.0
111.08094	5.8
111.11744	1.3
111.28464	0.5
113.09666	3.1
117.06969	0.7
118.82816	0.5
119.08595	13.6
119.09453	0.7
121.10149	17.7
123.08085	2.2
123.11715	18.5
125.09624	0.7
127.11211	1.7
131.08597	0.9
133.10146	15.5
135.11694	10.4
137.09637	2.7
137.13257	8.0
139.11266	0.7
141.12752	1.4
143.08537	0.6
147.11700	8.9
149.13260	8.4
151.11127	1.4
151.14828	7.9
153.12692	0.5
155.14316	1.2
157.10129	0.8
161.13269	9.8
163.14835	7.7
165.12787	0.8
165.16408	8.0
167.14410	0.8
171.11726	0.6
175.14844	7.4
177.16414	1.5
179.17941	3.8
181.15865	1.5
182.17566	0.5
189.16438	4.2
203.17979	2.0
206.10907	0.6
217.19490	1.7
219.21082	0.6
220.95699	1.1
221.13174	1.0
233.13152	0.7
245.22667	31.3
263.18243	2.6
263.23712	68.6
264.24133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1393
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.05519	0.4
56.05042	0.5
59.08701	0.4
63.19224	0.4
69.03430	0.5
69.08958	0.3
70.06597	36.5
71.04984	0.6
71.25878	0.4
72.08159	0.8
74.00651	0.4
80.96873	0.3
81.07063	0.4
84.04496	0.7
84.08138	1.5
86.09711	3.1
91.05485	1.5
93.07048	2.5
95.04964	0.6
97.06537	0.3
101.28828	0.3
103.05477	6.9
104.05306	0.6
105.07069	0.5
110.07172	0.5
114.05524	0.4
116.07100	81.1
118.13831	0.4
120.08113	100.0
121.08475	0.6
129.10143	0.4
130.06548	2.1
135.08034	0.4
136.07571	1.4
143.04984	0.7
163.07515	0.5
175.07487	0.8
203.07097	0.4
203.10686	1.8
217.12341	0.5
245.11995	0.7
246.11354	0.5
251.04192	0.4
263.09656	0.6
263.13974	11.9
263.16455	0.6
281.19980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1427
Annotation	Met Leu
Peak:m/z	Relative Intensity
55.05513	0.5
56.05042	67.3
61.01156	39.5
67.86129	0.4
69.03441	0.9
69.07068	0.5
70.06607	2.3
70.95453	1.0
72.08155	2.9
73.01141	1.1
74.06091	5.9
84.04519	1.5
84.08159	1.2
85.02916	0.7
86.09715	9.7
95.01352	0.6
98.97616	0.5
100.83126	0.4
101.00628	0.5
104.05340	100.0
106.92634	0.4
110.07139	0.4
113.10778	1.2
116.07111	2.1
120.08118	2.9
120.67183	0.3
129.10225	0.6
132.10233	5.1
141.10242	2.3
143.01596	0.7
158.79753	0.4
159.01167	0.6
169.04994	0.5
169.13336	1.3
172.11581	2.3
177.05740	0.4
198.11215	1.7
215.13956	7.3
217.13759	3.6
246.11591	1.1
263.14301	7.3
280.71280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39507	25.5
69.67255	25.4
70.27470	24.5
71.52553	39.1
93.44959	27.6
97.54861	24.8
108.44671	24.8
120.13664	29.1
138.40782	24.5
145.34250	27.8
161.02942	57.0
161.69540	27.9
263.01633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	2.3
61.65072	1.6
69.56502	11.1
71.04949	1.7
82.99841	4.0
86.28461	1.5
97.02897	1.9
98.97598	2.8
100.99104	1.9
101.00882	27.6
110.97594	1.6
113.00862	6.5
119.01929	34.2
120.37457	1.6
126.33964	1.5
128.98587	1.9
131.01921	23.5
133.03465	2.3
137.02916	2.1
143.00845	3.1
143.01913	51.7
143.03033	2.7
145.03485	7.2
149.02959	2.4
154.94907	1.8
155.01878	15.8
157.03453	4.0
161.02969	100.0
167.02010	2.0
173.02965	37.7
175.04535	2.1
179.76701	1.8
184.04517	1.8
185.02971	8.0
191.04005	25.7
197.02930	2.0
203.04025	17.2
221.05098	4.6
263.01797	9.3
263.06171	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.4
56.96291	0.9
56.96564	14.3
57.03424	1.2
58.99580	0.7
58.99847	0.9
60.04513	1.0
60.95854	0.9
61.02923	1.1
67.05496	0.8
69.03421	1.9
70.06588	3.2
70.57274	0.6
70.57610	1.7
70.98119	1.6
70.99873	0.8
71.06958	0.6
72.08138	2.8
73.01115	0.6
73.02913	1.7
74.06071	1.0
77.00916	0.8
81.03427	1.1
82.99867	2.3
84.04501	1.8
84.08145	5.5
84.96026	1.0
84.99607	0.7
85.02907	4.8
85.08470	1.0
86.03236	0.9
86.09708	4.2
87.10051	0.8
88.99178	0.7
91.05472	1.0
94.99864	0.9
97.02911	3.3
98.06052	1.0
98.20700	0.8
98.97586	12.9
99.04433	1.0
100.99143	0.9
101.00882	23.0
102.05554	0.8
102.96852	0.7
103.00643	1.9
103.02379	0.7
105.00349	0.9
109.02869	0.6
110.07159	1.9
110.97553	2.0
112.08726	0.7
112.99146	1.1
113.00868	6.8
115.02380	1.1
116.98622	8.0
119.01923	47.2
120.02010	1.5
120.08092	1.0
121.01669	8.3
124.04763	0.7
127.02408	1.0
127.03919	1.8
128.98621	3.4
129.10243	2.4
129.93933	0.8
131.00166	2.9
131.01904	24.9
133.01669	1.2
133.03462	2.7
134.99675	2.7
136.06134	0.7
136.07556	1.0
137.02946	5.2
139.02664	2.7
140.08192	0.7
143.01898	45.1
145.03479	3.2
145.05077	1.0
146.99638	1.5
149.01184	1.4
149.02902	3.4
151.00929	1.5
155.01884	11.7
157.03458	3.7
158.99689	3.0
159.01344	1.1
160.04779	0.8
161.02959	100.0
162.03081	1.8
165.00772	1.1
167.01949	2.2
169.05168	0.6
170.05019	0.8
173.01428	1.7
173.02962	33.6
174.99138	2.1
175.00745	0.9
175.02968	0.7
175.04552	2.6
177.00806	3.1
177.02150	0.7
179.02368	0.7
179.03998	2.3
180.98416	0.9
181.03593	0.6
181.54233	0.7
184.04601	3.9
185.02931	10.8
188.97133	1.4
190.98669	0.9
191.02254	1.8
191.03983	22.5
193.00221	2.4
193.02008	2.8
193.05591	0.9
197.03012	2.2
202.98618	0.7
203.02309	1.5
203.04004	17.9
205.03777	0.7
214.98674	0.7
215.04071	1.7
217.00075	0.9
217.01988	2.4
219.01801	2.1
221.03278	2.1
221.05154	2.9
230.98222	0.7
233.03020	0.7
233.05060	2.5
235.03027	2.8
237.02879	1.5
239.06195	1.0
245.05176	1.9
251.04280	1.4
263.03214	1.3
263.06155	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	263.0053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46579	0.6
55.79287	0.6
57.07064	0.9
58.99558	1.1
63.89346	0.6
65.45876	0.6
67.05505	1.7
69.07072	1.1
69.54512	0.6
69.74974	1.4
69.75367	1.8
79.05494	1.6
81.07056	2.8
85.01134	100.0
91.05489	2.6
93.07041	1.2
95.04984	0.9
95.08599	1.6
97.01080	0.7
105.07048	1.4
107.08579	1.6
109.06517	0.8
110.01851	0.8
119.08591	1.2
121.10130	0.9
123.02727	0.7
125.04233	1.0
129.07011	1.0
131.08589	1.5
135.11717	0.7
142.99855	68.5
144.05704	0.8
145.01434	0.9
147.08047	0.7
157.01422	21.7
158.02211	20.2
159.08083	1.8
167.23082	0.7
180.14714	0.8
187.07559	1.3
188.69693	0.7
188.98740	1.1
217.12334	0.8
231.06598	1.4
245.08212	1.3
262.22733	0.8
262.25342	1.6
263.00516	7.1
263.09006	0.7
263.18106	1.5
263.20386	1.3
263.23605	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.2
58.31922	0.9
74.87796	1.0
79.05505	2.4
81.07063	2.0
85.01134	100.0
91.05482	1.4
93.07034	2.9
94.06577	3.6
96.51087	1.0
105.07130	1.3
105.93376	1.1
107.08623	1.7
110.01882	1.2
124.03438	1.3
125.04228	1.8
139.05730	1.1
142.99855	76.3
157.01431	25.2
158.02203	21.0
158.03409	2.0
262.25543	5.6
263.00455	7.3
263.20349	1.5
263.53973	1.3
271.01834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68263	0.3
55.05515	0.4
58.99593	1.3
59.96730	0.3
61.01143	0.3
67.05483	0.6
69.03433	0.4
69.07050	0.3
69.59892	1.8
70.06613	0.4
73.01147	0.3
75.71142	0.3
79.05489	0.9
81.07064	0.9
81.84209	0.3
82.06570	0.3
84.00314	0.3
85.01134	100.0
91.05483	0.9
93.07076	0.8
95.08612	0.8
97.01138	0.4
101.00612	0.8
102.46770	0.3
105.07037	0.4
107.08591	0.3
110.01908	0.6
112.03403	0.4
113.04238	0.4
116.98312	0.8
119.08578	0.5
121.10075	0.3
124.03441	0.8
125.04251	0.7
131.08536	0.3
138.34648	0.3
139.05766	0.6
142.99855	68.8
145.01411	0.9
147.11674	0.3
148.95551	0.6
149.13402	0.3
157.01425	24.2
157.09993	0.3
158.02205	19.8
166.67761	0.3
188.98633	1.6
199.06027	0.3
223.81145	0.3
262.25330	0.9
263.00516	5.9
263.14285	0.3
263.17975	0.9
263.23712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58696	0.7
53.03954	5.3
55.01881	1.5
55.05266	1.0
55.05515	14.8
57.03439	2.0
57.07059	2.8
65.03931	2.6
65.63190	0.8
67.05511	45.8
69.03431	1.3
69.07070	14.2
69.62636	1.7
69.63057	3.3
71.05012	3.8
77.03931	1.3
79.05499	63.4
81.07065	48.6
83.04983	1.7
83.08627	8.9
85.06532	1.5
88.39144	0.7
91.04910	1.1
91.05486	32.5
93.07052	83.9
95.04970	6.2
95.08615	39.4
95.09247	1.2
97.06528	3.3
97.10160	3.0
99.08095	1.3
105.04514	1.1
105.07037	23.1
107.04955	0.9
107.08603	47.6
109.06506	3.3
109.10164	16.6
111.08086	1.7
111.11674	0.8
117.07032	7.3
119.08586	17.4
121.06538	1.3
121.10153	43.7
123.08078	2.5
123.11713	4.2
125.09601	1.0
131.08580	13.0
133.10155	11.6
135.08066	0.8
135.11703	32.2
137.09616	1.5
137.13223	1.4
145.10136	11.4
147.11702	10.9
149.13274	18.7
151.11211	1.6
159.11710	8.4
161.09775	0.8
161.13292	9.3
163.14841	7.5
173.13286	9.4
175.14798	3.2
187.14864	6.6
201.16382	2.6
205.15923	1.4
215.17828	1.1
219.17487	1.0
221.19846	0.7
231.11652	1.0
243.21144	10.7
246.13976	1.3
261.16241	2.6
261.22153	100.0
262.22342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.05044	0.8
56.96326	0.4
56.96574	3.8
57.03442	1.8
58.06599	1.2
59.04705	0.5
59.05005	9.1
59.07389	0.6
60.04529	1.2
60.08167	7.9
60.95844	0.9
61.02951	0.2
69.03441	0.6
69.79598	1.4
70.06599	3.4
71.04991	0.3
71.33382	0.3
72.08164	1.5
74.06060	0.4
81.03449	0.5
83.04990	0.7
84.04518	1.2
84.08150	6.2
84.96057	0.5
85.02910	100.0
85.08497	0.4
86.03239	0.3
86.09706	1.6
87.10050	0.9
88.04018	0.3
91.05519	0.6
95.04965	0.3
97.02909	0.9
98.97586	2.6
101.00897	1.1
101.06046	0.2
103.03897	0.3
104.07130	0.5
109.02827	0.3
110.07162	0.4
110.97552	0.6
112.08747	0.4
116.07116	0.5
116.98648	1.2
118.06552	0.4
119.01914	2.9
119.04985	0.6
120.02028	1.1
120.08127	0.7
121.01656	0.4
123.04478	0.4
128.98654	0.5
129.10242	1.5
130.06493	0.4
130.08641	0.6
131.00214	0.3
131.01921	1.0
131.08191	0.5
136.06348	0.2
136.07582	0.8
137.03006	0.6
143.01923	1.1
144.10204	3.4
145.04965	12.9
146.06013	0.6
146.99657	0.3
147.04457	0.3
147.11253	0.3
149.01195	0.5
150.97139	0.4
155.04718	0.7
158.09225	0.4
158.99689	0.7
161.02992	3.2
162.04149	0.5
165.05528	0.4
168.98196	0.3
169.00072	0.5
173.03011	1.0
175.11966	0.4
177.00720	0.7
179.03810	0.3
184.07639	1.7
185.03040	0.3
185.08119	2.2
191.04028	0.8
192.02351	0.3
192.98253	0.4
196.07515	0.3
196.97891	2.0
202.00977	0.4
202.08698	0.3
203.04010	0.6
204.12376	0.7
211.01105	0.4
214.08742	0.6
214.99004	1.9
219.01849	0.4
219.99564	0.3
222.06516	0.4
234.03362	0.4
237.02832	0.6
238.00801	0.3
238.03133	0.4
238.98875	0.8
242.03758	0.3
244.09741	0.9
256.99872	0.4
259.36279	0.3
262.03067	0.6
262.16556	45.1
263.06226	1.0
263.16861	0.4
280.04321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02375	1.4
51.78410	1.6
53.03931	4.5
54.57722	1.2
55.05509	15.6
57.03437	1.7
57.07077	7.8
61.46822	1.2
65.03922	2.8
67.05505	49.7
69.06776	1.1
69.07072	13.3
71.04968	1.9
71.08615	3.3
71.55121	2.0
76.34666	1.1
79.05495	85.0
81.07057	55.2
83.04962	2.0
83.08624	9.1
85.06547	3.8
91.05480	41.3
93.07044	100.0
95.04984	7.3
95.08602	36.1
97.06520	4.1
97.10158	4.1
99.08073	3.1
105.04443	1.8
105.07038	24.1
107.08598	59.0
109.06485	2.9
109.10156	17.6
111.08067	3.1
113.09619	2.8
116.49203	1.4
117.07001	9.8
119.08581	17.4
121.10150	45.4
123.11706	3.9
129.07042	1.4
131.08575	22.5
133.10133	11.9
135.08031	1.5
135.11697	30.8
143.58733	1.2
145.10129	17.3
147.11693	13.5
149.09698	2.7
149.12198	1.0
149.13260	26.7
151.11139	1.6
151.14850	1.2
159.11708	14.1
161.13226	11.5
163.14827	16.7
173.13254	10.6
175.14763	4.4
177.16325	7.5
179.14345	2.2
187.14822	9.7
189.16457	1.3
201.16389	2.9
205.15877	2.3
215.17967	3.1
231.11681	1.6
233.22621	4.2
243.21072	31.6
261.22110	98.3
273.82590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	3.5
55.01878	1.1
55.05513	13.8
56.92003	0.7
57.03428	1.4
57.07066	3.6
63.46008	0.8
65.03944	2.1
67.05508	36.2
69.03431	1.4
69.06721	1.1
69.07069	13.2
71.04984	3.0
71.08596	1.5
71.29960	1.0
79.05499	54.3
81.07060	43.4
83.04980	1.3
83.08632	6.9
83.52177	0.8
85.06542	2.9
91.05482	26.6
93.07053	71.1
95.04975	3.6
95.08613	35.2
95.09117	0.6
95.09238	1.2
97.06531	2.9
97.10159	2.5
99.08080	3.4
105.04491	1.8
105.07037	16.8
107.04926	0.8
107.08604	42.1
109.06549	2.1
109.10165	14.6
111.08087	2.6
113.09593	1.4
117.07050	6.2
119.07800	1.1
119.08593	14.3
121.10149	43.2
123.08060	2.1
123.11717	4.5
125.09650	1.0
131.08574	15.0
133.10139	12.7
135.11711	31.8
137.09625	1.9
137.13232	1.5
139.11183	1.7
145.10135	14.1
147.11694	11.8
149.09557	0.9
149.13271	24.6
151.11238	1.4
153.12781	1.3
159.11707	11.9
161.13260	11.3
163.11211	1.0
163.14835	16.2
165.12744	1.4
173.13272	9.7
175.14839	4.6
177.16391	5.4
179.14246	1.6
187.14851	6.5
189.16380	1.1
201.16377	2.3
215.17969	2.4
216.09361	1.2
217.19496	1.4
231.11777	4.0
233.22696	1.4
243.21089	29.4
246.14011	3.1
259.45596	1.0
261.16449	8.4
261.22156	100.0
262.14459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03943	3.3
55.01857	1.4
55.05267	0.8
55.05513	12.1
57.03424	1.1
57.07082	3.6
58.81555	0.6
59.53885	0.8
65.03933	1.4
67.05509	42.0
69.03412	0.9
69.07072	9.7
69.31264	1.1
69.31669	5.1
71.04986	2.5
71.08616	1.3
73.45746	0.6
77.03938	0.7
79.05498	50.2
81.07062	47.3
83.04987	1.4
83.08636	6.2
85.06529	2.7
87.43446	0.5
90.37785	0.6
91.05486	28.2
93.07050	66.2
95.04986	4.4
95.08613	35.0
97.06554	3.4
97.10188	3.3
99.08089	3.4
105.04537	1.3
105.07040	18.0
107.04968	0.7
107.08601	41.0
109.06527	2.8
109.10167	15.6
111.08076	2.8
111.11707	1.1
113.09642	0.7
117.07029	5.7
118.40904	0.5
119.07802	0.8
119.08590	12.6
121.06505	0.8
121.10150	39.5
123.08065	1.7
123.11732	4.7
125.09621	1.0
131.08577	14.4
133.10139	12.0
135.11703	33.4
137.09593	2.0
137.13260	1.7
139.11180	0.9
145.10132	14.5
147.11700	12.3
149.09602	1.1
149.13268	26.9
151.11186	1.1
153.12766	0.8
159.11702	10.3
161.13260	11.2
163.11203	1.1
163.14832	19.2
165.12735	1.9
173.13272	10.2
175.14847	5.6
177.12761	0.7
177.16382	4.5
179.14336	1.7
187.14856	5.8
189.16438	1.5
191.14351	0.8
201.16394	3.6
202.24805	0.6
205.15913	0.7
209.46454	0.6
215.17877	1.5
231.11592	1.9
233.22592	0.9
243.21106	30.9
246.13969	1.0
261.16348	2.8
261.22150	100.0
262.22455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.78559	0.6
52.74582	0.6
53.03954	4.0
55.01881	0.8
55.05511	13.0
57.03425	1.8
57.07082	3.5
65.03941	1.8
67.05508	40.5
69.07070	12.0
69.87961	1.1
69.88367	2.2
71.04983	2.2
71.08633	1.3
77.03943	0.8
79.05496	55.5
81.07059	45.2
83.04956	1.1
83.08624	6.8
85.06547	2.7
91.05483	28.7
93.07047	71.2
95.04974	4.9
95.08611	33.5
95.09077	0.5
95.09243	1.2
97.06525	2.7
97.10175	1.9
99.08087	3.4
105.04536	1.4
105.07033	17.4
107.08597	46.2
109.06518	1.9
109.10161	13.5
111.08075	2.5
113.09645	1.6
117.07029	6.7
119.08584	14.6
121.10151	43.8
123.08046	1.3
123.11719	3.9
131.08577	12.4
133.10144	11.4
135.08141	0.6
135.11699	34.0
137.09618	2.4
139.11201	0.8
145.10133	15.0
147.11700	10.1
149.09570	0.9
149.13268	25.8
151.11243	0.9
151.14850	0.6
159.11694	9.4
161.13254	10.0
163.14828	17.1
165.12744	1.6
165.23807	0.6
173.13268	8.3
175.14825	4.2
177.16373	4.6
179.14302	2.2
187.14853	6.4
201.16429	1.9
215.17943	1.5
217.19571	0.9
218.80983	0.6
233.22737	1.7
243.18513	1.0
243.21097	26.4
261.22153	100.0
265.42685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.03951	2.9
55.01881	0.5
55.05515	12.0
57.03443	1.7
57.07074	3.6
57.17504	0.3
65.03944	1.3
67.05508	38.9
69.07072	11.7
69.07455	0.5
69.88154	1.3
71.04993	1.9
71.08633	1.5
75.99592	0.4
77.03939	0.5
79.05497	54.4
81.07060	47.2
83.04985	1.4
83.08628	5.8
85.06546	3.2
86.81981	0.4
91.05484	25.5
93.07049	70.6
95.04969	5.0
95.08611	33.6
97.06551	3.5
97.10164	2.7
99.08089	3.6
103.05595	0.4
105.04540	1.4
105.07038	17.5
107.04995	0.6
107.08600	42.3
109.06532	1.7
109.10160	14.6
111.08106	2.6
111.11740	0.7
113.09667	1.0
117.07022	6.5
119.06120	0.7
119.08585	15.2
121.10149	39.6
123.08077	1.7
123.11712	4.2
125.09646	1.3
130.07774	0.6
131.08572	13.5
131.09515	0.8
133.10146	12.6
135.11700	35.0
137.09612	1.5
137.13258	1.2
139.11223	0.7
143.08620	0.4
145.10127	14.2
147.11693	11.0
149.09724	0.6
149.13264	25.8
151.11163	1.0
151.14864	0.6
153.12775	0.8
157.10019	0.4
159.11693	11.2
161.13266	11.9
163.11206	0.7
163.14833	18.5
165.12799	1.3
171.11731	0.6
173.13278	11.7
175.14818	4.0
177.12779	0.7
177.16394	5.4
179.14323	1.2
187.14821	6.5
189.16394	0.5
191.14293	1.1
193.15898	0.4
201.16417	3.1
203.18103	0.4
205.15929	0.8
205.72878	0.4
215.17987	1.5
217.19502	0.6
219.17404	1.0
233.22696	1.1
242.91254	0.5
243.21097	29.7
261.22150	100.0
262.22504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03738	0.4
53.03945	2.9
55.01871	0.7
55.05515	13.9
57.03431	1.3
57.07077	3.7
57.17655	0.4
65.03933	1.8
67.05506	40.7
69.07070	12.9
71.05003	2.7
71.08629	0.9
77.03922	1.1
79.05494	56.0
81.07058	45.9
82.13095	0.5
83.04973	1.3
83.08620	7.9
85.06532	3.7
91.05482	29.9
93.07046	75.0
95.04971	4.7
95.08607	33.4
97.06530	4.4
97.10178	2.2
99.08099	3.7
105.04514	1.3
105.07037	18.0
107.08597	49.4
109.06522	1.9
109.10159	14.8
110.28616	0.4
111.08096	2.8
113.09679	1.0
117.07014	7.9
119.06130	0.5
119.08583	14.6
121.10147	42.1
123.08061	1.4
123.11707	4.7
125.09589	0.9
128.90163	0.5
131.08572	13.5
133.10136	12.2
133.10939	0.4
135.08003	0.7
135.11699	32.4
137.09657	1.4
137.13255	1.1
145.10130	14.3
145.11285	0.7
147.11694	11.0
149.09586	1.1
149.13260	25.0
151.11200	1.3
151.14803	0.6
153.12720	0.9
159.11687	9.7
161.13257	11.8
163.11255	0.8
163.14822	18.8
165.12790	1.5
173.13284	9.7
174.72935	0.5
175.14856	4.5
177.12784	0.7
177.16409	5.1
179.14313	1.8
187.14828	6.8
189.16351	0.6
201.16403	3.0
203.17952	0.7
205.15944	0.6
215.17982	1.6
217.19560	0.7
219.17354	0.9
233.18930	0.7
233.22725	1.1
243.18456	0.7
243.21085	30.2
261.22150	100.0
262.22626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02386	0.5
53.03939	3.0
55.01871	1.1
55.05513	14.0
56.18765	0.4
57.03436	1.2
57.07075	3.5
65.03950	1.4
67.05508	39.9
69.06721	0.8
69.07076	11.8
69.40005	2.9
69.40411	0.9
71.04987	2.4
71.08625	1.4
77.03915	0.8
79.05495	53.2
81.07060	45.4
83.04977	1.3
83.08625	5.6
85.06547	4.0
90.73299	0.4
91.05485	25.9
93.07049	70.4
95.04982	4.4
95.08611	34.2
95.09240	1.0
97.06538	3.9
97.10184	3.4
99.08093	3.1
105.04534	0.9
105.07037	18.6
107.08600	46.0
109.06519	1.9
109.10158	13.2
111.08073	2.5
111.11758	0.7
113.09664	0.9
116.31744	0.5
117.07021	5.8
119.07790	0.8
119.08589	13.9
121.10148	41.4
123.08084	1.7
123.11726	4.6
125.09549	1.0
127.11217	0.5
130.07817	0.5
131.08575	11.7
133.10135	11.9
135.11696	32.4
137.09624	1.8
137.13266	0.9
139.11128	0.4
145.10139	12.7
147.11696	12.0
149.09721	1.1
149.13266	27.2
151.11214	1.0
151.14816	0.6
153.12726	0.7
159.11700	10.0
161.13261	12.6
163.14827	19.3
165.12776	1.6
173.13277	10.4
175.14845	5.0
177.16374	4.0
179.14270	1.1
187.14853	6.4
189.16373	1.0
201.16354	3.0
205.15926	1.0
215.17903	2.3
217.19463	0.5
219.17403	0.7
233.22591	1.3
233.46480	0.4
243.21101	30.1
261.22153	100.0
262.22464	0.8
267.44730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1448
Annotation	Glu Leu
Peak:m/z	Relative Intensity
56.05040	7.1
63.91763	0.9
69.07066	1.5
70.48199	2.3
73.91761	0.9
84.04511	99.9
84.08141	3.3
85.02905	1.8
86.09713	100.0
87.10034	1.1
91.52261	1.2
98.95217	0.9
102.05556	16.5
113.07130	1.1
129.06624	4.7
129.10239	1.5
132.10220	55.3
141.06615	3.9
144.12186	1.0
166.83267	0.9
197.12874	60.9
225.12358	6.7
237.02689	1.2
243.13432	54.1
268.20923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
56.05037	3.3
56.96568	10.3
58.99592	1.2
58.99863	2.8
61.01149	1.4
62.42315	0.8
65.20781	0.8
69.07068	1.9
69.70078	4.2
72.08146	1.7
73.01140	2.8
77.00919	1.2
81.03430	1.1
82.99866	1.5
84.04513	18.7
84.08141	10.8
84.96019	4.1
85.01094	1.4
85.02887	0.9
85.08475	2.5
86.09708	76.6
86.99334	1.0
87.02702	9.1
87.10011	1.0
89.00639	0.9
97.01165	0.8
98.97589	10.2
100.00090	1.3
101.00884	25.8
102.05544	3.2
102.97005	1.7
103.02464	3.8
104.05331	1.6
105.00343	0.8
107.67657	0.7
110.97580	2.5
112.65646	0.7
112.99124	1.2
113.00892	1.4
115.02245	4.0
116.98627	4.7
118.01136	2.3
119.01926	100.0
120.01988	1.1
121.03470	1.3
123.01366	0.9
127.00697	1.2
128.98615	2.9
129.03993	1.6
129.06575	1.0
129.10213	4.0
130.04959	4.0
131.00169	7.3
131.01907	6.3
132.10211	3.3
133.03362	3.6
134.99664	1.8
136.07616	1.0
137.02957	27.1
140.98640	2.3
141.00267	4.1
141.03978	2.1
142.01125	1.0
142.03522	1.2
143.00186	2.3
143.05511	1.8
145.01759	1.4
145.03464	4.3
146.99609	3.7
147.01419	2.6
147.11284	1.4
148.06059	14.5
148.11696	1.1
149.01186	15.3
150.05826	2.2
152.98653	1.4
157.03540	1.7
158.99701	2.5
159.01414	17.0
159.05042	1.7
160.02269	1.1
161.01208	2.8
161.03011	1.5
161.06581	0.9
163.02797	1.3
163.04468	1.8
165.00790	1.2
165.02403	1.2
166.01506	0.9
167.00502	0.8
167.02443	0.9
167.08220	3.1
170.99615	1.8
171.01361	2.3
171.05104	0.8
173.01222	9.8
173.02924	2.1
175.02805	2.2
177.00845	1.7
177.02423	1.2
179.02289	1.1
179.03934	1.5
182.99709	1.3
187.02859	1.1
189.00723	3.9
189.02469	16.8
190.01390	4.0
191.02255	29.7
192.02429	0.9
197.12816	3.9
201.00714	6.7
201.02419	1.1
205.03941	0.9
207.01711	1.7
207.03502	9.0
208.02522	1.9
209.03276	2.7
213.08710	2.4
215.02237	14.1
215.04027	0.9
215.10774	0.8
219.01790	8.8
219.03654	1.3
233.03310	32.2
235.04785	1.3
237.02788	6.9
243.01682	1.9
243.13403	2.7
256.04947	0.9
261.02826	17.2
261.05719	2.0
261.14291	6.1
261.19934	1.1
279.03842	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	260.1607
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05046	8.0
61.50694	1.0
61.86857	0.8
68.18632	0.8
69.07064	3.8
69.95528	2.8
69.95924	1.7
70.06591	1.4
74.06081	1.3
83.06108	60.2
84.04511	76.8
84.08151	20.8
86.09712	100.0
90.05520	1.1
98.97603	1.2
101.07134	8.1
120.08226	0.9
129.06613	4.7
129.10236	6.9
130.04988	1.4
130.08617	3.7
132.09213	2.1
132.10207	29.1
141.06595	2.0
143.11784	2.9
147.07629	1.5
147.11319	3.3
152.10722	1.3
157.13342	6.1
171.11348	1.5
185.12874	1.7
196.14499	8.8
197.12860	30.8
198.11264	1.4
225.12331	2.6
242.14999	66.0
243.10905	1.7
243.13429	33.9
243.17149	1.6
245.00243	1.0
260.16025	2.2
260.19659	3.3
283.43646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1971
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.05517	1.1
55.13077	0.5
56.05035	2.5
56.96568	5.1
58.99866	1.1
60.18442	0.5
67.05513	1.0
69.07069	0.9
69.65226	1.2
69.65656	1.5
70.06601	1.5
72.08158	6.1
73.01146	0.9
74.97523	0.4
75.02696	0.9
81.09258	0.4
82.01450	1.8
82.06585	0.7
82.99858	1.6
83.06113	1.5
84.03011	7.8
84.04507	5.0
84.08147	100.0
84.96007	1.5
85.06516	0.5
86.09709	18.4
88.93743	1.6
90.82395	0.4
98.97588	1.5
100.02512	2.5
101.00885	16.3
101.07181	0.5
101.10807	2.8
102.04055	19.3
102.97057	1.1
108.49123	0.6
110.97555	0.5
112.07584	0.6
112.99039	0.5
115.02452	1.1
116.98587	0.5
118.03555	1.0
119.01926	40.6
120.02026	0.7
120.05085	4.3
126.04009	5.2
128.01944	0.9
128.98688	0.7
129.10243	13.8
129.62895	0.4
130.03557	0.6
130.05011	9.3
130.08641	5.4
131.00148	2.7
131.01901	1.0
131.11775	0.5
133.03439	0.7
137.02960	6.1
140.05605	0.7
142.03490	2.1
143.11786	1.6
144.05072	36.6
145.05244	1.1
146.02992	9.1
146.99654	1.6
147.07642	10.3
147.11287	9.6
148.99467	1.5
149.01189	5.4
149.99757	0.7
158.06685	1.0
160.04477	0.6
161.09277	0.8
162.06146	5.6
164.04042	1.2
165.00690	1.2
167.00504	2.3
167.02167	0.4
167.06618	0.5
168.00865	1.2
170.02994	35.7
171.03108	0.6
171.11285	1.0
174.04344	3.2
180.04639	0.4
185.01646	0.6
188.04054	63.7
189.04195	1.7
191.02313	1.3
192.05389	1.0
193.03986	0.4
201.09294	0.7
202.05537	0.7
206.05287	0.6
211.05664	1.8
214.10730	0.6
218.03313	1.6
236.04433	1.0
237.02933	1.8
242.18599	1.2
243.17029	8.2
254.03615	0.6
255.03911	1.6
260.04401	3.9
260.06976	0.5
260.07953	0.5
260.16455	1.3
260.19708	15.4
278.05515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96257	0.5
55.05516	2.7
56.05045	4.4
56.96570	20.1
58.96163	0.8
58.99869	0.6
59.73517	0.4
60.04509	0.4
64.66496	0.4
67.05506	1.2
69.07076	2.7
69.33627	0.4
70.06605	2.2
70.79849	0.9
71.95281	0.6
72.08161	33.4
72.96045	0.6
74.06081	1.0
77.00906	0.6
79.05180	0.4
80.43008	0.5
83.06111	4.1
83.33102	0.5
84.04037	0.9
84.04511	11.1
84.08150	100.0
84.96043	2.2
85.02915	0.9
85.08447	0.5
86.09712	41.6
87.10057	0.7
88.04005	0.4
88.93759	1.8
90.93324	0.5
97.48987	0.5
98.97588	5.8
100.99163	0.7
101.00893	2.8
101.07160	1.1
101.10796	2.5
101.36651	0.4
102.04054	0.9
102.05550	0.7
103.02426	0.7
110.07201	0.7
110.97572	1.6
111.09193	0.5
112.07564	0.7
113.00940	0.4
114.03318	0.4
116.98622	3.1
119.01926	8.9
120.02094	0.5
120.08134	0.5
126.02275	0.7
127.08755	0.5
128.98611	1.2
129.10254	18.2
129.11221	1.0
129.94006	0.5
130.05009	9.1
130.08649	10.2
131.00140	1.2
131.01918	0.8
132.10211	1.6
133.01744	0.5
133.03394	0.7
134.99677	0.8
137.02969	1.6
140.03818	0.7
140.98615	0.7
141.03975	0.5
142.05359	1.0
143.00153	0.8
143.11810	20.5
144.03362	0.7
144.05090	1.6
146.99660	1.2
147.07658	9.5
147.11290	14.3
148.06039	1.4
148.97496	2.3
148.99414	1.2
149.01169	1.9
158.04897	1.3
158.99699	0.9
159.01320	1.0
160.06462	1.4
161.01120	0.5
161.09213	1.4
164.98962	0.9
165.00685	1.4
166.98511	3.6
167.00529	1.6
170.02991	1.5
170.04828	0.6
170.99736	1.0
171.01328	0.5
171.11305	7.6
172.08218	0.9
173.01254	1.2
175.11975	0.5
177.00681	0.8
182.99840	0.7
184.99590	0.5
185.01601	0.5
188.04034	2.8
188.05948	2.0
189.02483	1.1
189.12302	0.6
190.98532	1.7
191.00545	0.8
191.02238	3.8
193.95627	0.4
196.02852	0.6
197.12891	0.7
197.16472	1.0
201.00671	1.0
202.09143	0.6
206.07039	4.1
208.99658	2.6
209.01469	0.7
214.03844	1.9
215.02209	0.7
219.01765	1.9
224.08029	5.3
232.08542	2.6
233.03299	1.9
236.98994	1.0
237.02899	1.1
242.03357	0.5
242.15015	1.4
242.18616	1.6
243.13396	0.8
243.17073	5.9
245.05603	0.9
250.09572	1.8
255.00131	1.9
259.99948	0.6
260.04425	0.6
260.07938	1.5
260.10550	1.1
260.16116	1.7
260.19693	17.0
261.02835	1.3
261.14496	0.6
278.00891	0.6
278.09119	1.7
279.03732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91809	1.4
55.05500	1.6
56.05036	9.0
56.96564	9.9
57.03435	1.4
58.99853	2.0
61.02908	1.6
67.05500	2.9
69.03427	3.5
69.07068	4.8
69.28413	14.5
70.06582	1.9
72.08163	13.6
73.02921	2.4
82.06562	2.7
83.06113	35.4
84.03036	3.3
84.04507	42.6
84.08147	100.0
85.02907	10.4
86.09712	77.4
97.02911	3.5
98.03230	2.1
98.97575	7.5
101.00890	9.0
101.07135	3.8
101.10782	3.7
102.04053	13.2
102.97011	2.2
112.07554	1.9
115.02421	2.1
116.98609	4.2
119.01928	19.7
120.05110	3.6
121.01550	1.7
126.04022	3.5
128.98651	3.5
129.06596	3.2
129.10240	22.1
130.05046	12.6
130.08647	18.3
131.00163	3.8
132.10225	9.4
133.03383	1.9
137.02945	4.8
143.11850	7.7
144.05072	14.3
145.04938	1.8
146.02985	2.1
146.99651	3.2
147.07669	19.3
147.11287	21.2
149.01202	5.2
158.99649	3.2
160.95068	1.8
162.06187	3.7
170.02995	12.0
171.11346	3.7
174.04405	6.1
175.98615	1.7
176.00546	2.0
176.34572	1.8
181.01643	2.0
182.08420	1.5
188.04059	24.8
189.00876	2.0
191.02283	6.0
192.05435	2.5
196.14470	3.2
197.12891	15.8
201.00763	2.2
216.11703	2.0
218.03378	4.0
219.01680	2.1
225.12451	1.6
236.04456	3.2
237.02861	4.9
242.15010	33.1
243.13405	16.5
243.17056	5.3
260.03851	6.7
260.10526	3.9
260.16766	2.6
260.19714	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	260.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
56.05039	0.3
58.99579	0.9
61.51766	0.2
65.03941	0.5
67.05482	0.5
70.06586	0.9
70.06973	0.2
70.15356	0.8
74.06065	0.3
79.05475	0.6
80.05012	0.5
82.06577	0.3
84.04491	0.3
84.08147	3.0
85.01132	4.6
86.09709	1.2
91.05463	0.9
93.07058	0.2
94.02918	0.3
94.06550	0.7
95.04974	0.3
99.02662	1.5
100.07629	0.5
104.04990	1.7
106.06531	1.1
107.07324	1.0
108.08117	0.6
109.01082	0.3
110.01856	0.4
110.06029	0.7
110.07166	0.3
111.02652	0.9
112.02198	0.5
117.05779	1.4
118.06544	22.7
119.07332	11.8
120.08126	1.5
123.02637	0.6
124.03889	0.2
126.03721	1.0
127.02128	0.9
128.02919	0.9
129.10229	0.8
130.06557	0.3
130.08693	0.3
134.06032	1.0
135.06789	0.6
136.02202	1.2
136.07620	0.4
137.02901	0.5
138.03720	0.3
140.05257	1.4
144.04446	0.4
145.05179	1.1
146.06003	0.2
147.11305	0.3
149.02901	0.3
150.03729	14.7
151.04510	4.4
152.05309	3.4
162.05508	2.6
163.06285	8.7
164.07076	5.1
168.04771	1.0
178.03223	1.2
179.04012	3.3
196.04285	100.0
197.05055	9.9
197.06891	0.5
260.12872	0.9
260.19711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2431
Annotation	Andrachamine
Peak:m/z	Relative Intensity
52.28977	0.3
53.00287	0.3
55.05515	7.2
56.05029	0.4
57.07079	9.3
58.06611	1.2
66.40250	0.3
67.05517	0.4
69.07072	9.2
70.06589	1.2
70.07024	1.3
71.08640	3.8
72.08159	21.2
80.86162	0.3
83.08621	6.4
85.10199	1.3
88.07640	1.4
90.09199	17.1
97.10159	2.7
140.18059	0.3
169.03458	0.4
212.23744	92.1
213.24081	0.6
214.25214	0.8
214.31398	0.3
230.75941	0.4
233.69012	0.4
258.24442	7.5
258.27933	100.0
261.74274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02929	0.3
56.56411	0.3
56.96571	8.7
64.46175	0.3
69.58170	2.1
71.95265	2.1
98.20734	0.4
98.97591	100.0
100.97227	0.4
100.98011	0.4
109.90715	0.3
116.98631	51.6
117.42290	0.3
134.99663	13.1
140.00223	1.1
143.50494	0.3
153.00694	1.0
157.90497	0.3
174.97647	0.3
216.98817	0.5
219.02005	0.7
234.99797	0.5
240.98631	3.2
258.99783	44.5
260.00058	0.6
273.01407	0.4
277.00839	50.0
278.01120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05519	8.6
55.05751	1.5
57.07074	2.8
67.05501	10.0
69.03439	1.5
69.07071	25.8
69.91461	8.0
71.05003	23.6
79.05493	5.1
81.07062	15.8
83.04974	3.8
83.08614	6.8
85.06552	19.5
91.04984	2.0
91.05479	10.8
93.07064	12.6
95.04978	2.3
95.08610	16.6
97.06535	3.1
99.72218	1.5
105.07038	27.6
107.08601	14.1
109.06541	5.8
109.10175	13.4
111.08092	11.6
117.07024	7.4
119.08591	44.5
121.10147	14.8
123.08091	2.4
123.11717	20.7
129.06989	2.1
130.07784	3.7
131.08578	11.7
133.10144	31.2
135.08066	10.7
135.11688	4.9
137.09645	4.8
142.07822	3.7
143.08580	6.2
144.09341	3.3
145.10132	28.6
147.11702	16.5
149.09625	3.4
156.09369	4.0
157.10115	11.1
159.11705	25.8
160.12566	4.3
161.09647	2.2
161.13283	31.6
163.11153	2.1
171.11716	17.4
173.13260	7.9
175.11166	3.1
175.14842	82.4
176.15517	3.2
177.12772	2.9
185.13234	13.2
189.12727	6.1
189.16399	6.7
190.13660	2.8
198.14056	1.8
199.14816	6.0
201.16405	22.8
203.14326	7.7
213.16248	2.3
215.18027	6.0
217.19537	4.0
229.15889	2.0
241.19516	13.4
259.20602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.8
56.05027	1.5
56.96566	14.7
57.03414	2.1
58.06601	25.5
58.99581	3.0
61.01160	20.9
61.03396	1.3
69.03428	7.3
69.84942	1.2
70.06596	11.7
70.99557	2.5
71.29287	1.5
72.08146	5.0
72.81891	1.2
73.02917	16.3
74.00665	15.3
81.03408	1.6
82.06572	5.2
84.04487	5.4
84.07682	2.0
84.08153	24.1
84.95999	1.5
85.02905	11.5
86.09711	9.9
88.03992	1.4
90.03785	2.2
92.94899	1.2
97.02924	7.2
98.97570	13.3
104.98325	100.0
107.99417	3.0
108.04484	2.8
110.07175	2.4
110.97553	3.4
112.07599	3.0
112.08688	1.4
116.07067	1.5
116.98618	5.4
119.01808	2.3
120.01170	21.6
122.53679	1.5
126.05511	4.6
127.03902	2.4
128.02325	1.3
128.07094	3.0
128.98630	2.8
129.10252	9.7
130.08684	2.3
130.99866	4.9
132.04362	1.9
134.02704	1.5
134.99635	1.8
136.97282	2.5
137.05984	1.2
143.02011	1.6
145.04880	1.4
146.01276	1.8
146.97861	2.2
146.99658	1.5
148.02473	4.6
156.03316	7.8
158.99602	1.3
164.98891	6.1
168.03337	1.7
170.99681	1.4
172.97688	1.7
173.05681	1.6
174.04396	7.1
177.00478	5.8
177.03372	2.7
177.05867	1.3
182.03407	2.6
186.04425	11.4
188.98891	1.7
189.00745	1.9
190.98775	2.6
191.00507	2.3
191.03937	3.1
194.03070	77.5
200.04434	2.2
204.05472	9.0
205.74049	1.3
205.84904	1.5
206.99986	3.0
208.99702	2.0
232.99718	1.6
234.99228	5.7
251.94127	1.4
253.00586	2.9
258.00555	2.2
258.07181	1.4
258.09805	10.4
258.14487	4.1
276.07520	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	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05511	4.7
57.07073	2.4
61.12010	0.8
65.03944	0.8
67.05499	5.4
69.06786	0.7
69.07082	6.4
70.06579	1.4
71.05016	6.5
78.16042	0.8
79.05497	6.5
81.07065	4.5
83.05002	1.3
83.08614	1.8
85.06529	3.6
88.07639	1.9
91.05490	7.9
93.07050	13.0
95.04977	5.4
95.08616	9.4
97.06508	1.1
99.08074	2.1
103.05484	1.5
105.07030	19.9
107.08606	14.9
109.06516	5.5
109.10159	9.7
111.08110	1.8
117.07018	4.5
119.08590	19.4
121.06470	1.5
121.10153	62.6
123.08089	3.4
123.11739	1.8
127.01145	0.9
128.06236	1.9
129.07007	6.2
130.07820	1.3
131.08575	11.9
133.07626	1.3
133.10141	9.4
135.08076	14.3
135.11674	2.7
137.09621	5.8
141.07005	2.2
142.07773	7.7
143.08577	16.6
144.09377	2.7
145.10132	20.0
147.11667	5.4
149.09660	5.1
151.11176	0.9
153.07080	1.1
154.07776	1.6
155.08563	4.1
156.09319	5.9
157.10139	18.5
158.10915	4.8
159.08005	1.8
159.11703	22.6
161.09648	2.3
161.13261	1.9
163.11212	4.9
168.09387	2.6
169.10144	9.1
170.10921	1.5
171.11713	13.5
172.08923	1.0
172.12457	1.0
173.09598	3.0
173.13269	24.3
174.14003	2.9
175.11223	2.4
175.14873	2.2
177.12782	2.9
177.97293	0.8
182.10986	1.7
183.11696	10.5
184.12511	3.4
185.13246	2.5
187.11229	7.4
187.14828	3.8
188.11945	1.1
189.12746	3.0
195.11661	2.1
197.13260	8.7
198.13977	1.9
199.12964	1.5
199.14835	32.2
201.12750	8.8
209.13280	1.8
210.14098	1.9
211.14751	2.2
213.16414	10.1
214.17143	3.3
215.14360	3.6
215.17958	9.1
224.15604	2.0
239.17964	15.8
257.19031	100.0
257.26657	23.0
258.19382	1.5
258.27972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87305	1.0
53.08784	1.1
55.01878	1.9
55.05505	1.5
56.96575	1.5
57.07065	2.8
58.06602	1.3
59.06100	1.7
66.92678	1.2
67.05500	1.7
69.03419	1.6
69.07076	2.5
70.02918	1.3
70.06599	9.8
71.54467	1.8
72.08149	5.2
75.01456	2.8
76.02238	6.8
76.04012	3.1
76.38407	1.1
78.96783	1.5
83.06120	2.0
84.04507	3.0
84.08155	10.7
85.02912	3.6
85.04034	36.9
86.09698	6.0
88.17117	1.1
88.95221	3.2
90.94850	1.2
92.36784	1.2
98.06062	2.8
98.97630	1.3
101.08517	1.2
105.97843	79.1
107.04964	3.7
110.07178	8.5
110.93959	100.0
112.07604	1.2
113.03512	11.2
116.98604	1.6
117.29389	1.3
129.10239	3.6
130.05006	4.0
130.92268	1.5
131.04536	54.9
134.06029	1.4
135.04395	4.4
141.50537	1.2
142.15089	1.2
143.04518	3.3
145.03188	1.7
152.07091	3.8
153.98154	9.6
156.07678	1.8
162.05798	1.8
163.03947	6.3
177.03281	3.0
180.35530	1.5
191.03963	1.9
191.05724	1.3
209.00516	8.6
239.98232	8.6
240.12361	1.2
256.26379	4.7
257.00812	3.8
257.08121	3.2
257.12152	1.3
257.14975	1.8
257.18829	2.9
257.26797	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98629	0.4
56.96569	14.1
59.33033	0.3
60.60587	0.3
70.03947	1.5
70.04282	0.3
70.18211	0.3
71.95267	3.7
95.19721	0.3
98.97589	100.0
116.98628	50.0
119.01929	0.7
130.93311	1.6
131.00136	0.4
134.99670	13.4
140.00217	1.3
147.31087	0.3
153.00749	1.1
158.01196	0.3
172.94353	5.2
176.94217	0.3
190.95387	3.7
208.96506	0.9
214.95341	1.6
232.96468	5.1
250.97507	2.9
251.49373	0.6
251.99309	0.4
256.96442	9.3
263.02682	0.7
274.97522	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	256.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01868	0.9
55.05515	6.3
57.03449	2.8
57.07092	1.0
62.06094	100.0
65.03943	0.7
67.05508	15.0
69.07079	5.2
70.06599	1.6
70.51700	0.7
70.52056	1.9
71.04997	1.5
73.01158	0.9
73.02919	0.8
79.05498	9.6
80.05039	0.8
81.07063	22.4
81.70700	0.7
82.06580	0.8
83.04989	2.2
83.08626	4.0
84.08147	1.6
85.02924	1.4
85.06567	1.2
91.05478	5.9
93.07046	12.3
95.04981	1.3
95.08607	4.6
96.08156	0.7
97.06549	2.6
97.10175	0.6
98.06090	1.7
98.98477	1.1
103.95802	0.6
105.07042	2.8
107.08591	5.9
109.06535	1.0
109.10178	1.3
111.08101	1.4
117.07021	3.1
119.08585	0.7
121.10162	2.3
123.11714	1.1
126.03736	1.2
131.08575	2.7
133.10164	2.6
135.11710	2.8
136.42986	0.6
149.13275	4.9
151.11198	0.7
159.11716	3.2
167.28003	0.6
177.12766	0.9
194.62088	0.7
195.13853	1.4
200.09439	1.1
210.05919	0.9
210.18558	1.2
211.08543	0.9
212.10774	0.8
220.16875	0.8
228.08833	0.7
229.09821	1.1
229.13438	2.8
238.18033	83.4
239.16423	11.2
239.18643	1.0
241.09735	0.9
242.10568	1.6
256.06473	1.2
256.19226	6.8
256.21619	1.9
256.26328	3.3
257.12787	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	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39432	0.3
55.01633	0.3
55.01880	1.8
55.97853	0.2
57.03441	3.1
59.49041	0.2
61.02929	0.7
69.03428	1.8
69.38119	2.1
71.01347	1.0
73.02924	2.4
78.03474	1.5
80.05017	3.1
85.02908	2.2
87.04465	0.3
87.98108	0.3
93.04561	0.3
94.93000	0.3
96.04507	0.9
97.02892	0.8
103.03969	0.5
106.02924	6.8
109.91717	0.6
110.07183	3.6
115.03928	1.4
123.05563	100.0
124.05888	0.3
133.04977	2.5
158.73808	0.3
163.95145	0.8
164.93636	0.3
164.95438	0.3
254.94720	0.3
254.97093	0.6
255.06322	0.3
255.14543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Nardosinanol H
Peak:m/z	Relative Intensity
51.71024	0.2
53.03945	0.3
55.01875	0.8
55.05516	3.9
56.96577	0.2
57.03453	0.2
57.35622	0.2
67.01881	0.3
67.05504	1.0
68.99789	0.8
69.03429	0.7
69.07060	1.2
69.82665	0.9
70.06590	0.2
71.05000	0.5
73.01147	0.3
77.91038	0.2
79.05491	1.2
81.03434	0.6
81.07049	1.1
83.04482	0.3
83.04986	5.1
83.08636	1.5
85.01135	1.0
85.02930	0.9
85.06537	0.4
91.05489	0.6
93.07051	0.8
95.04990	0.5
95.08601	0.5
97.06538	0.3
97.10162	1.5
98.98476	5.8
98.99118	0.3
99.00822	0.5
100.98884	0.3
105.07019	0.4
107.08603	1.2
108.05717	0.2
109.06517	0.8
109.10142	0.4
111.04449	1.0
111.08087	0.5
113.04260	0.4
113.06016	6.7
117.06992	0.4
117.82478	0.2
119.08566	0.3
121.06525	0.4
121.10136	0.2
124.01555	0.3
125.05997	0.6
125.09653	1.4
126.03754	0.7
127.02179	0.2
131.08585	0.3
135.04572	0.2
135.08095	0.4
135.11696	0.6
136.05283	0.2
137.06004	1.3
139.03909	100.0
140.04219	0.5
142.99884	0.5
143.08633	0.2
143.10632	0.3
145.10129	0.3
151.02284	0.2
151.07547	0.2
153.09135	0.7
155.07024	0.5
155.08334	0.3
158.02213	0.2
159.11713	0.3
163.11183	0.4
165.09221	0.3
167.07056	3.1
176.98958	0.2
177.12798	0.4
179.10707	0.5
180.23483	0.2
181.08636	0.3
189.97876	0.7
193.08759	0.2
195.13774	0.5
196.12283	0.2
207.98892	0.7
214.55817	0.2
219.13722	0.3
231.98929	0.4
237.14861	34.6
255.11192	0.2
255.13548	0.3
255.15744	2.2
255.21048	0.6
256.06363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01870	3.1
55.05514	4.3
59.92306	1.0
65.03913	1.3
67.05501	4.0
68.99839	1.3
69.03425	3.0
69.07056	5.2
69.84949	4.7
69.90739	1.1
73.01132	3.7
75.02713	1.7
79.05064	1.7
79.05500	27.1
81.07063	47.1
83.04979	4.1
83.08606	1.2
84.04469	2.9
85.02921	1.2
91.05493	6.8
93.07059	5.4
95.04968	4.8
95.08596	2.6
97.06507	4.0
97.10168	2.3
98.98473	8.6
105.07038	3.1
107.04964	1.6
107.08546	1.3
109.06522	65.2
111.08076	2.3
113.06032	1.6
119.04905	1.1
119.08598	1.3
119.34044	1.1
121.02916	1.4
121.06501	4.5
123.08115	1.4
125.06000	3.0
126.03747	1.8
127.03866	1.3
130.05013	3.2
130.85231	1.0
130.99898	1.3
135.04372	3.3
135.08031	1.9
137.05988	100.0
139.03914	47.6
145.10168	1.3
147.11693	2.4
149.06039	2.0
151.07608	1.4
153.05450	3.0
157.05020	2.1
165.09085	1.6
167.07059	39.8
181.05032	2.4
181.08591	1.2
193.08662	6.6
211.09709	2.0
227.09145	29.7
237.14880	17.9
244.74428	1.1
255.08662	13.9
255.21194	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	255.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01873	2.0
55.05505	1.8
57.03431	1.0
61.01157	1.0
65.03951	1.9
67.05499	3.5
69.03419	2.3
69.07065	1.3
69.59637	3.4
69.60049	1.7
73.01140	3.7
75.02713	1.8
75.90624	0.9
79.05494	27.9
81.03432	1.2
81.07057	45.0
82.53041	0.8
83.04972	1.0
87.04433	0.8
91.05480	7.3
93.07027	6.3
95.04987	4.2
95.08588	1.2
97.06528	3.0
98.21433	2.0
98.98470	5.4
104.98335	1.0
105.04535	1.2
105.07039	1.2
107.04945	2.3
107.08579	1.4
109.02880	1.1
109.06519	68.3
111.04475	2.3
111.08089	3.4
113.02332	1.0
119.04932	1.2
119.08564	1.4
121.02886	1.8
121.06504	7.3
123.04411	1.6
125.06001	1.8
135.04448	4.0
135.08064	1.3
137.05981	100.0
139.03870	4.4
139.07487	1.3
147.08035	0.9
149.05923	1.2
151.07535	1.6
153.05493	2.4
157.05014	1.5
159.11696	0.9
163.03920	1.2
163.07570	1.2
164.08275	0.9
165.05527	1.9
167.07050	48.9
168.27028	1.0
171.06499	1.1
177.05515	1.4
181.04956	2.6
181.08609	1.3
193.08656	5.5
211.09636	2.5
227.09154	39.7
255.08632	15.1
255.21042	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	255.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01863	2.7
55.05512	2.1
57.03426	1.1
65.03944	1.8
66.04721	0.9
67.05514	5.0
69.03425	2.0
69.07060	2.6
70.01730	1.7
70.02121	2.0
71.01352	1.2
73.01150	1.6
75.00758	0.7
77.03927	1.4
79.05497	25.3
81.03413	1.6
81.07062	46.2
83.01356	0.9
83.04996	1.6
83.08611	1.1
84.04519	1.8
84.42225	0.7
85.02901	2.5
91.00267	0.7
91.05478	8.7
93.07046	9.2
95.04956	4.7
95.08629	3.9
97.06531	3.4
97.48759	0.7
98.98477	10.3
101.02348	0.9
103.05479	1.5
104.98352	1.2
105.04498	0.9
105.07029	3.3
106.97937	0.8
107.04960	2.1
107.08594	3.2
109.02882	1.9
109.06522	67.9
109.10142	2.7
110.06839	1.0
111.04431	3.4
111.08096	4.0
113.02345	1.1
113.04234	1.3
113.05985	0.8
117.07042	1.5
119.04948	2.7
119.08611	2.8
121.02861	2.3
121.06532	5.2
121.10120	1.2
123.04460	1.4
125.06009	2.3
126.03765	2.0
130.05014	4.3
131.08577	2.8
133.10120	1.3
135.04434	5.0
135.08051	1.5
135.11674	1.3
137.05983	100.0
137.35027	0.8
139.03905	2.1
139.07561	1.1
144.04805	1.0
145.10110	3.2
147.08020	1.8
147.11734	3.9
149.05957	1.4
151.03931	1.3
151.07549	1.2
153.05490	4.1
157.04967	0.9
157.10123	1.0
159.11707	4.3
161.13292	1.8
163.07619	1.0
165.05476	1.8
165.09082	0.8
167.07045	47.3
171.06563	0.8
173.13277	3.3
181.04977	3.2
181.08635	1.4
185.13283	1.1
191.07054	1.6
193.08638	3.4
197.04446	1.1
199.14919	2.1
209.08128	1.4
211.09660	3.5
213.16420	1.0
227.09157	43.2
255.06323	1.1
255.08669	12.9
255.18149	1.5
255.21097	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	255.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23240	0.9
53.03939	3.2
54.94703	1.0
55.01875	1.2
55.05510	3.0
57.03425	1.7
57.07037	1.2
58.99582	1.7
61.01150	4.7
65.03938	1.9
67.05501	4.1
69.03410	3.0
69.07067	3.2
70.67574	2.3
70.99567	1.0
72.93784	0.9
73.01144	18.1
75.02699	4.2
79.05497	27.4
81.03425	1.3
81.07063	45.9
83.04984	1.3
83.08609	1.2
84.08134	3.4
85.06571	1.2
89.00579	1.4
91.05486	6.5
93.07048	6.1
95.04955	3.7
95.08593	4.0
97.06541	3.7
97.10161	1.2
98.21378	1.4
98.98473	23.6
99.02682	1.1
100.98876	2.1
104.98323	7.1
105.07033	3.7
106.97909	1.7
107.04938	2.2
107.08601	2.9
109.06525	68.0
109.10172	1.5
110.07044	1.0
111.04441	2.2
111.08073	3.0
113.04243	4.9
115.05386	1.0
115.82648	0.9
116.98276	2.1
119.04913	1.7
119.08558	2.9
121.02892	2.2
121.06469	4.8
121.10153	1.6
123.04395	1.2
123.08125	1.9
125.05994	1.7
127.07546	1.0
129.03699	1.4
131.08598	1.1
135.04434	4.4
136.08800	1.2
137.05988	100.0
139.03902	1.6
143.08586	1.2
145.06451	1.5
147.08075	1.6
149.05991	2.0
151.03847	1.4
153.00040	1.8
153.05470	3.9
157.04980	1.4
159.11700	3.3
163.02449	1.1
163.07591	1.5
164.08208	1.3
165.04051	1.6
165.09137	4.3
167.03491	1.2
167.05626	2.0
167.07053	35.9
171.11674	1.2
173.13234	1.3
180.99654	2.0
181.04976	3.3
182.00340	5.0
185.13268	1.5
191.07045	1.3
193.08617	26.0
193.10295	1.7
194.10011	1.2
213.16414	1.3
227.09143	25.5
237.07661	1.7
255.08609	9.9
255.11163	2.1
255.17484	2.0
255.21127	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	255.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01875	6.3
55.05515	11.6
57.03437	3.7
57.07072	1.9
58.58075	0.6
58.99584	1.9
59.05000	1.2
61.01157	6.8
65.03932	1.7
67.01861	0.7
67.05506	5.9
68.99783	1.1
69.03436	3.1
69.07072	4.8
69.78120	0.6
70.06592	1.2
71.01334	1.1
71.04992	0.9
71.55907	1.0
72.04491	1.1
73.01146	35.0
75.00713	0.7
75.02712	8.7
78.96761	0.7
79.05498	37.2
81.03421	2.3
81.07061	54.7
82.06573	0.8
83.01368	0.8
83.04979	5.1
83.07040	0.7
83.08622	6.1
84.04514	6.8
84.08142	1.0
85.02918	1.4
85.06534	1.9
86.99078	1.1
89.00621	2.1
91.05485	10.1
93.07054	11.6
94.04202	0.8
95.04987	6.0
95.08625	5.0
97.06522	3.8
97.10184	7.0
98.98469	9.7
99.02675	0.9
100.11259	11.4
101.02298	0.7
101.04206	1.5
104.98323	11.3
105.04533	1.0
105.07012	5.5
106.97922	0.9
107.04958	2.5
107.08604	5.8
108.05743	0.9
109.02900	0.9
109.06525	74.5
109.10162	2.9
110.07107	0.7
111.04460	3.5
111.08060	3.5
113.02385	1.6
113.04250	2.0
113.06019	6.7
117.07011	3.2
119.04956	1.8
119.08594	3.8
120.97822	1.6
121.02875	2.6
121.06515	6.9
121.10166	2.6
123.04427	1.5
123.08102	1.4
125.02403	0.9
125.06029	3.7
125.09648	5.8
126.03766	1.4
127.07592	0.9
129.03717	2.0
130.05011	2.4
131.08598	4.1
133.06483	0.9
133.10135	2.5
135.04446	4.3
135.08076	1.9
135.11668	1.6
137.05984	100.0
138.06430	0.8
139.03912	54.5
139.07544	1.6
142.12291	2.6
143.08569	2.1
143.10741	1.2
145.01463	1.0
145.06441	0.8
145.10115	5.0
147.08038	1.0
147.11699	5.8
149.05983	1.4
149.13243	1.0
151.04004	1.0
151.07555	2.0
153.05487	5.0
153.09143	1.4
154.12294	5.9
157.05037	0.9
157.10133	1.9
159.11713	8.3
161.13225	4.6
163.02505	2.5
163.03877	0.8
163.07622	1.4
164.08362	0.7
165.04065	1.6
165.05402	1.5
165.09149	1.4
167.07059	51.1
168.07407	0.7
168.13895	1.7
170.11748	1.5
171.06570	0.8
171.11772	1.3
171.14941	14.9
173.13284	6.0
181.04939	4.1
181.08568	1.1
182.15460	0.8
184.17012	1.1
185.13295	1.9
190.78888	0.7
191.07043	1.2
193.08603	7.0
195.06528	0.7
196.13281	1.2
197.04425	1.0
199.14893	2.3
209.08188	0.9
210.10062	0.7
211.09645	3.1
213.16406	1.2
219.13907	0.8
227.09160	43.7
227.17859	0.7
237.14803	5.5
255.08635	14.3
255.11299	1.1
255.15891	12.8
255.21059	41.7
258.28021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.3
55.01867	2.2
55.05509	2.5
57.03428	1.1
57.58601	0.6
61.01147	0.9
61.02938	0.9
65.03938	2.4
67.05518	3.2
69.03423	4.7
69.07061	2.0
71.01370	1.0
71.05002	0.9
73.01154	3.7
73.02925	1.2
75.02703	1.4
79.05501	27.1
81.03416	3.0
81.07064	48.4
83.01310	1.2
83.04984	8.0
85.02901	2.1
88.03089	0.6
91.05489	7.5
93.07059	7.3
93.67671	0.8
95.04960	5.8
95.08613	2.2
97.02905	1.3
97.06548	3.4
98.98483	6.9
99.04459	1.4
104.98341	1.6
105.04446	1.0
105.06998	0.9
106.97901	0.7
107.04966	2.6
107.08551	1.1
109.02883	1.9
109.06529	75.4
109.10173	0.7
111.04446	7.1
111.08121	3.6
113.02416	1.3
117.06988	1.0
119.04975	1.1
119.08597	1.9
121.02860	3.3
121.06519	8.0
121.78221	0.7
123.04459	1.3
125.02387	1.2
125.06008	2.7
127.03926	0.9
135.04395	3.7
135.08058	1.9
137.05991	100.0
138.06526	0.9
139.03928	1.5
139.07504	1.5
147.08035	1.1
149.06018	1.7
151.03906	1.3
151.07565	1.4
153.05498	3.6
153.06673	0.7
157.04958	1.6
163.03920	1.0
163.07570	1.3
165.05476	2.4
165.09152	1.2
166.66985	0.6
167.07063	52.4
171.06552	0.7
177.05493	0.9
181.04961	3.6
181.08617	1.0
191.06961	0.8
193.08617	6.1
211.09648	3.6
227.09166	42.4
255.08636	15.1
255.11206	1.1
255.17436	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44134	0.6
53.03949	4.4
55.01871	2.2
55.02667	0.6
55.05501	1.1
56.33012	0.6
57.03434	0.6
65.03932	2.0
67.05497	2.2
69.03428	1.4
69.07060	1.2
71.01339	0.9
71.10914	1.5
73.01115	1.3
77.49888	0.7
79.05497	27.9
81.07063	43.9
83.05004	1.0
84.08190	0.6
85.02901	0.8
91.05499	6.0
93.07054	5.5
95.01298	1.1
95.04967	5.1
95.08613	0.8
97.06528	2.7
98.98472	3.0
105.04547	1.0
105.06967	0.7
106.24066	0.7
107.04961	1.5
107.08603	0.8
109.02852	1.0
109.06525	69.3
111.04423	1.5
111.08060	2.5
113.02389	1.0
119.04941	1.2
119.08524	1.0
121.02863	1.4
121.06519	5.4
123.04443	1.2
125.06008	2.3
135.04420	4.0
135.08087	1.2
137.05984	100.0
139.03835	1.3
139.07578	1.1
147.08060	0.8
149.06000	1.9
151.03897	0.7
151.07515	1.3
153.05476	3.5
157.04935	1.4
163.07607	1.3
165.09126	0.6
167.07056	43.6
177.05446	1.0
181.04987	2.8
181.08604	1.8
191.06987	0.9
193.08649	5.0
193.93289	0.6
204.27643	0.6
209.08093	0.9
211.09660	2.1
227.09152	37.8
234.05661	0.6
234.70840	0.7
255.08638	14.1
255.39948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01859	2.7
55.05495	4.7
57.03424	1.4
65.03941	2.2
67.05515	9.4
68.37080	1.0
69.03432	3.5
69.07068	5.1
70.06585	1.3
71.01334	1.3
71.56007	1.7
73.01136	5.7
74.21499	1.0
75.02673	1.0
77.47094	1.1
79.05495	40.4
81.03433	1.7
81.07062	58.9
83.04985	3.2
83.08624	4.4
84.08147	1.6
85.02872	1.4
85.06512	1.4
86.09701	1.4
91.05479	15.1
93.07057	15.9
95.04973	6.7
95.08596	11.7
97.06526	4.0
98.98473	14.4
104.98315	1.1
105.04548	1.4
105.07035	11.3
107.08621	8.2
109.06527	79.1
109.10165	5.0
111.04441	2.6
111.08075	3.2
113.04279	2.7
116.98399	1.3
117.07021	4.4
119.04970	1.4
119.08618	7.8
120.04321	1.0
121.02881	2.2
121.06503	7.6
121.10143	4.0
123.04479	1.6
125.05970	2.5
125.09620	1.2
129.06998	1.7
131.08580	9.1
133.10138	7.0
135.04414	4.2
135.08041	1.9
135.11661	3.6
137.05986	100.0
139.03922	9.9
139.07588	1.8
143.08554	4.1
144.09334	1.6
145.10146	14.7
147.08061	1.3
147.11707	15.8
149.06006	1.7
151.03975	1.3
151.07552	1.9
153.05530	5.6
157.10104	3.7
159.11714	19.4
161.13261	9.2
164.08328	1.5
165.05542	1.3
165.09146	1.9
167.07054	46.3
171.11717	3.7
173.13289	12.3
177.05482	1.6
181.04980	4.2
185.13263	5.8
186.14078	1.6
187.14771	1.7
193.08652	15.6
199.13222	1.4
199.14844	7.0
200.15681	1.3
213.16348	2.7
227.09174	32.8
233.66350	1.3
237.07613	1.2
237.14795	2.1
255.08708	11.4
255.21092	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01870	1.2
55.05507	2.8
56.98579	0.6
57.03435	1.1
58.99581	1.4
61.01160	3.5
61.01403	0.7
65.03936	1.9
66.04690	0.9
67.05511	3.3
69.03426	2.4
69.07062	1.4
70.06596	0.8
70.81351	1.3
70.81704	0.7
71.01357	0.7
73.01146	17.7
75.02709	3.6
79.05497	27.7
81.03433	1.1
81.07063	44.3
83.04989	1.6
83.08639	0.6
91.05494	6.1
93.07043	5.8
95.04975	5.2
95.08603	1.8
97.02882	0.9
97.06551	3.8
98.98479	5.1
104.98328	5.7
105.07014	1.4
107.04970	2.0
109.02838	0.7
109.06525	66.9
111.04415	1.8
111.08073	2.8
112.81525	0.6
113.02372	1.2
117.06991	0.9
119.04926	1.6
119.08575	1.4
120.08133	1.0
121.02864	2.3
121.06522	5.2
123.04442	1.8
123.08064	0.9
125.05999	2.8
135.04440	4.7
135.08063	1.1
137.05988	100.0
139.03912	0.8
139.07541	1.2
144.26314	0.7
146.79062	0.7
149.05980	2.3
151.03914	1.3
151.07483	1.4
153.05478	3.8
157.04967	1.6
163.02530	1.0
163.03879	1.1
163.07539	1.2
165.04114	0.8
165.05583	0.9
165.09160	1.2
167.07054	48.1
171.06540	1.7
181.04991	2.6
181.08612	1.1
193.08569	4.8
209.08003	0.7
211.09615	2.1
227.09160	42.4
228.09462	0.7
236.62578	1.0
237.12599	1.5
245.63142	1.1
246.13065	1.2
254.63593	3.8
255.08626	15.3
255.13412	4.2
255.63483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
51.02382	0.6
53.03941	2.5
53.72556	0.5
55.01883	2.7
55.05515	7.5
55.05758	1.0
57.03428	2.1
57.07073	1.5
58.99575	1.4
61.01150	1.4
65.03941	1.4
66.54124	0.6
67.05510	14.7
67.32271	0.5
69.03429	4.3
69.07069	6.1
70.06611	2.7
71.04987	6.6
71.55266	0.6
73.01129	4.2
77.03930	1.0
79.05497	18.1
79.05957	0.9
81.03417	1.8
81.07063	34.6
83.04986	3.8
83.08617	4.8
84.08149	1.3
85.02898	1.3
85.06541	3.9
86.09696	0.9
89.00605	1.0
91.02192	0.7
91.05484	20.9
93.07050	31.1
95.04975	11.6
95.08610	16.3
97.02906	1.7
97.06538	11.4
98.06058	1.0
98.09702	0.8
98.98470	100.0
99.04460	5.3
100.11256	8.1
100.98896	1.0
101.04256	0.8
103.05477	0.8
104.98333	6.0
105.04568	0.7
105.07035	22.6
107.04952	4.8
107.08594	12.8
109.02900	0.7
109.06522	23.6
109.07259	1.3
109.10160	5.1
110.07169	1.8
111.02675	0.9
111.04445	1.6
111.08105	3.4
112.03438	1.3
113.04253	2.4
113.06049	2.9
114.09154	0.6
115.05768	1.3
116.98302	2.6
116.99513	2.5
117.05492	0.7
117.07021	2.8
117.13892	0.8
118.06537	0.7
119.04944	1.2
119.08588	13.7
120.08089	0.6
121.06511	69.4
121.10158	4.1
123.04460	3.9
123.08077	4.2
123.11730	0.9
125.05980	3.7
126.09149	1.2
127.03934	0.8
127.07574	8.6
128.06229	1.6
129.03769	0.8
129.07018	4.6
131.05238	0.8
131.08549	4.5
131.79877	0.6
133.06512	2.9
133.10135	20.3
135.04428	4.4
135.08063	6.8
135.11662	1.6
137.05997	2.6
137.09587	1.4
139.03915	5.9
139.07539	12.3
140.01048	0.9
141.05478	1.7
141.07027	1.3
142.07761	3.4
143.07074	1.3
143.08565	7.6
145.01378	1.2
145.10104	5.0
147.08026	3.4
147.11699	19.0
149.09673	0.9
151.07590	1.3
151.11235	1.7
153.05464	1.4
155.08559	2.4
156.09366	2.9
157.06499	0.7
157.08665	1.8
157.10130	12.6
159.08061	2.0
159.11729	1.6
160.08846	0.6
161.00955	1.1
161.05951	1.2
161.09659	3.3
161.13271	8.8
163.02458	2.0
163.11162	1.1
163.14828	0.8
165.05640	0.6
165.06985	2.2
165.12788	2.6
166.07793	3.2
168.13828	2.7
169.06445	0.8
169.10188	1.5
171.08058	0.7
171.11690	11.3
173.09650	1.5
173.13272	1.4
174.99226	2.1
175.11191	10.3
176.98906	1.6
179.00203	1.1
179.10721	0.6
179.14284	0.9
181.10130	4.4
182.07230	0.6
183.11711	1.2
184.08815	1.5
185.16466	3.2
189.12764	14.1
191.10666	0.9
191.14308	0.6
193.12265	9.5
195.10190	1.9
196.04245	1.5
197.09529	0.6
197.11679	1.5
197.13318	1.5
199.11206	22.8
207.13849	5.9
209.13330	0.6
211.13054	0.8
211.14812	1.2
217.12250	51.2
235.13312	23.3
238.06166	0.6
253.08884	1.6
253.14374	18.8
253.19511	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	254.9758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62930	42.7
51.23530	38.6
51.84477	40.5
53.20177	42.5
71.53594	45.0
73.59863	48.0
77.82777	47.4
89.82458	43.9
104.07019	47.3
112.89601	96.2
148.14508	44.4
176.78328	58.0
189.00069	55.9
255.06258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
56.96562	1.3
57.03440	4.0
61.02919	1.3
65.27492	0.4
66.99638	0.4
69.03442	2.3
69.99021	1.1
71.01356	0.6
72.08158	0.8
73.02927	3.9
76.80553	0.5
76.84178	0.4
78.03458	1.0
78.26468	0.5
79.38360	0.5
80.05029	3.1
81.65034	0.6
83.06112	0.8
84.08150	0.6
85.02922	3.5
87.04468	0.8
93.04528	0.8
96.04526	0.7
97.02916	2.4
98.98486	2.5
101.00919	0.5
106.02931	6.5
109.91715	0.5
110.07176	7.3
110.97587	0.5
115.03934	1.7
119.01916	1.0
123.05564	100.0
131.01933	0.7
133.05008	2.7
143.01961	0.8
145.03412	0.5
156.07730	1.9
167.01935	0.6
173.03094	0.6
174.04501	1.1
183.05107	0.6
185.02924	0.8
212.54190	0.5
237.13568	0.6
244.31276	0.4
245.05232	1.1
255.06390	1.6
255.14528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	23.5
55.05520	0.4
57.07061	0.2
58.02963	0.5
58.06608	0.4
58.99586	0.4
59.06120	1.1
60.04517	0.5
60.39222	0.2
61.01167	0.3
67.05512	0.7
69.03434	0.6
69.07078	0.4
69.68267	1.3
70.06598	1.8
71.08640	0.2
72.08141	0.3
73.01146	25.5
74.00668	52.9
75.01455	0.4
76.04008	2.1
78.96783	0.8
79.05492	1.8
81.04551	0.2
81.07077	1.1
83.06110	1.6
83.08626	0.3
84.04508	20.0
84.08152	1.1
85.04031	36.5
86.02403	0.4
86.09692	0.4
91.05478	0.7
91.63995	0.2
92.01708	12.7
93.07027	0.5
95.04980	0.6
95.08599	0.7
97.06572	0.3
98.98470	25.7
100.98930	0.3
102.05543	0.3
104.98315	1.1
105.07069	0.4
106.99884	4.7
107.04951	0.9
107.08623	0.3
109.02872	0.3
109.06513	1.4
109.10147	0.4
110.07152	1.5
111.05595	0.4
112.03970	22.8
113.03501	10.9
113.04204	0.5
116.07099	0.4
116.99535	0.6
119.08588	0.3
120.08135	1.1
121.06542	0.2
123.08073	0.2
125.06028	0.3
128.03412	0.4
128.39763	0.2
129.06578	1.4
129.10272	0.6
130.05009	100.0
131.02811	0.8
131.04527	24.9
133.10001	0.3
135.04437	0.3
150.04071	19.8
150.12798	0.3
151.07567	0.3
153.04308	0.4
153.05482	6.9
156.07684	0.8
159.02290	0.3
160.00650	3.2
163.02460	0.2
165.10295	0.2
166.08667	0.5
174.99234	0.5
177.03297	81.7
179.03430	0.3
197.11894	0.2
217.12222	0.3
235.11681	0.4
236.04089	5.4
253.06976	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	253.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01625	1.8
55.01879	24.6
58.06597	1.3
59.06120	2.2
60.01122	1.0
62.12215	0.9
62.55834	1.0
62.83356	0.9
66.84286	1.0
67.05517	1.0
68.01631	1.0
70.06588	3.3
70.73772	3.0
71.04997	1.2
73.00781	1.7
73.01152	22.9
74.00674	50.1
76.04022	2.6
78.96759	1.3
83.06097	1.5
84.04510	19.2
84.08126	3.6
85.04038	39.7
86.09682	1.6
92.01701	12.4
98.98476	36.5
106.99883	5.3
110.07178	1.9
112.03983	22.5
113.03505	9.6
116.07056	1.4
119.08617	1.0
129.06595	1.1
130.05019	100.0
131.04544	26.3
133.39467	1.3
136.07564	1.1
150.04085	19.6
160.00659	3.0
177.03316	84.9
190.89304	1.0
236.04167	6.3
253.06729	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1185
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
56.05016	0.5
60.04529	63.1
61.79473	0.5
62.06653	0.4
70.02938	0.6
70.06593	1.3
70.47954	1.2
70.48282	0.7
71.43825	0.5
79.05465	0.6
84.08144	1.9
86.09747	0.7
87.05588	2.8
91.05490	1.4
92.72355	0.5
93.07051	1.3
98.98473	12.7
103.05459	3.1
105.07053	0.6
107.04951	1.6
110.07156	0.6
119.04985	0.7
120.08112	100.0
121.08450	0.9
131.04941	1.6
132.08159	0.7
136.07564	1.2
144.08072	2.8
144.68170	0.5
149.06004	2.1
162.09148	3.2
164.26613	0.6
166.08649	67.7
185.12332	0.5
206.08086	1.0
207.11298	17.9
235.10704	3.5
253.11806	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	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01867	0.8
55.05518	2.4
57.03428	1.5
57.07079	13.2
57.58229	0.4
67.05509	4.7
69.08565	0.4
69.85655	0.5
69.99867	2.1
71.04987	0.8
72.82296	0.5
79.05498	1.5
81.03423	1.6
81.07063	19.4
85.02912	16.3
85.03310	0.3
85.03432	0.6
85.06546	10.5
87.04493	0.6
91.05497	0.7
93.07045	1.6
95.08611	33.0
98.21423	0.8
98.98473	15.8
98.99120	0.8
99.04462	1.7
99.08095	1.8
102.98502	0.5
105.07010	0.7
111.45990	0.5
111.84692	0.5
113.09663	6.4
123.08085	9.0
139.03969	1.0
141.09113	100.0
155.56215	0.5
253.14351	3.4
256.58636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
55.05510	2.2
57.03435	2.4
57.07075	1.2
58.99585	5.7
59.96728	0.6
60.37751	0.4
61.01158	12.5
65.03945	0.6
67.05518	2.6
69.03418	0.6
69.07082	2.9
70.06606	0.7
70.16872	0.4
70.69200	1.3
70.99570	0.8
71.04999	0.7
73.01146	35.8
75.02710	2.3
78.96781	0.4
79.05504	4.2
80.06259	1.1
81.07056	3.8
83.08611	0.9
84.08139	1.1
85.01128	1.2
85.04086	0.5
85.06529	1.2
86.09714	0.5
86.99049	2.2
87.02699	1.6
89.00624	4.0
91.02188	0.7
91.05452	1.0
92.98340	0.6
93.07037	1.1
95.04973	1.5
95.08610	1.9
96.05783	0.9
97.02916	0.5
97.06532	4.1
98.07310	0.5
98.98472	100.0
99.02671	2.9
100.98887	1.8
101.00657	0.5
101.04237	4.3
102.96777	0.7
103.97529	1.0
104.98322	20.0
105.03416	4.4
105.07016	1.6
107.08607	1.2
108.92410	0.8
109.06514	1.0
109.10204	1.0
111.02689	2.0
112.03464	2.5
113.04239	13.1
114.05028	1.6
115.05787	1.4
116.98303	3.3
116.99493	2.5
117.99059	0.7
118.99882	3.1
119.08570	0.9
120.08138	0.7
120.97838	2.6
121.10143	0.7
129.03703	4.2
129.07019	0.7
131.05252	0.8
131.08516	0.7
133.10167	1.2
136.95526	0.7
140.01106	0.6
141.05502	0.8
141.46396	0.4
142.07872	0.4
143.08571	0.9
145.01427	3.8
145.10152	1.0
147.11703	1.0
152.94965	0.6
155.03413	0.5
155.08594	0.7
157.10175	2.3
159.11691	1.0
163.02502	2.8
169.10136	0.6
171.11621	0.6
174.99261	1.3
176.07086	1.1
176.98959	0.8
179.00169	0.6
183.11746	0.8
185.13216	0.5
197.11749	0.7
197.13344	0.7
225.16536	0.5
253.04767	0.6
253.16197	0.4
253.19626	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	253.021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
53.16578	0.9
55.05511	19.1
55.89283	0.9
58.99593	11.3
61.01156	26.5
67.05498	4.5
69.07063	8.2
69.80357	1.4
69.80656	6.2
70.99579	3.8
73.01144	24.6
79.05489	7.0
80.03240	1.0
81.07057	11.5
82.07834	2.0
83.08139	2.1
83.08621	35.2
85.01153	6.6
87.02694	23.0
92.98277	1.1
93.07044	1.2
98.20897	1.4
98.98470	95.9
99.02682	6.5
101.04252	9.8
102.96722	1.6
104.98322	100.0
106.97857	1.2
112.03449	3.4
113.04237	47.4
114.05009	14.4
115.03826	1.5
115.05798	16.1
116.98306	18.6
116.99510	2.9
118.99870	49.5
119.08658	1.3
133.01369	1.5
136.95467	1.3
145.01418	12.3
146.02139	5.3
147.02979	87.9
170.03386	1.1
176.98820	1.7
179.00188	73.3
197.11757	1.8
220.68860	1.1
224.08156	1.1
253.02116	2.6
253.19525	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55370	0.5
55.05506	3.6
57.07073	1.3
58.99579	2.1
61.01151	4.0
62.02658	0.6
67.05503	2.0
68.93135	0.6
69.07056	1.7
69.79382	3.1
71.39505	0.5
72.63776	0.5
73.01143	4.2
77.72189	0.5
79.05492	1.4
81.07064	3.5
82.07836	0.7
83.08172	0.8
83.08617	5.2
85.01131	1.2
87.02699	3.0
91.69560	0.5
92.98321	0.6
93.07022	0.8
95.04966	0.6
95.08606	1.3
95.83901	0.6
97.42789	0.6
98.98473	100.0
99.02673	1.1
100.98898	1.2
101.04260	1.1
104.98327	14.3
105.07018	1.0
106.16671	0.6
107.08572	0.5
109.10201	0.7
112.03453	0.6
113.04240	7.7
114.05025	2.0
115.05785	2.3
116.98296	3.6
116.99521	3.1
118.99870	7.0
133.10083	1.1
140.01102	0.9
141.05426	0.6
145.01433	2.3
146.02141	1.1
147.02977	14.1
155.08577	1.0
157.10153	1.5
174.99286	1.3
176.98950	1.2
179.00209	10.0
197.11713	1.0
197.13330	1.1
198.53307	0.6
211.14804	0.6
235.20482	0.6
253.14177	0.7
253.19656	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	253.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
55.05513	5.0
56.96553	0.6
57.07069	1.4
58.99582	2.6
61.01152	6.4
61.20615	0.5
67.05515	1.8
69.07081	3.3
70.73746	0.8
70.74081	1.3
70.99544	0.8
71.93536	0.5
73.01147	7.4
79.01303	0.6
79.05486	2.0
81.07062	3.9
82.07859	0.6
83.08624	7.3
85.01157	1.5
87.02687	5.2
95.08611	1.8
98.98472	100.0
99.02711	1.5
100.98879	1.1
101.04243	1.7
104.98323	23.5
105.07056	0.6
107.08602	0.8
109.10143	1.0
111.02676	0.6
112.03454	2.1
113.04234	14.9
114.05034	2.8
115.03802	1.5
115.05796	4.7
116.98329	3.9
116.99517	2.7
118.99876	11.1
126.67014	0.5
140.01080	1.0
141.05508	0.6
141.09137	0.9
145.01414	4.5
146.02199	1.3
147.02983	19.7
151.11096	0.6
174.99297	1.8
176.98871	1.7
178.98380	1.5
179.00189	16.5
197.11749	1.1
206.98923	0.9
211.38307	0.6
221.26825	0.6
253.02242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01869	1.1
55.05513	7.5
57.03445	6.7
57.07055	1.0
58.06579	1.1
58.99588	18.8
59.96731	1.4
61.01154	30.5
65.03945	0.9
67.05508	9.8
69.07071	7.0
70.06581	1.9
70.99564	3.5
71.04990	1.1
71.54824	1.2
73.01144	87.6
75.02695	5.2
75.17683	0.9
78.96780	1.2
79.05489	11.6
80.06264	1.6
81.03410	1.1
81.07061	15.8
83.04967	2.1
83.08621	6.6
84.08160	1.4
85.01115	2.9
85.06531	3.6
86.99061	4.4
87.02686	4.4
89.00630	9.2
91.05468	5.3
91.10464	0.9
92.98342	2.1
93.07027	5.7
95.04965	2.8
95.08636	5.6
96.05731	0.9
97.01112	1.2
97.02914	0.8
97.06539	13.1
98.98470	100.0
99.02673	7.8
99.08093	1.6
99.27876	0.8
100.98881	1.4
101.00600	1.1
101.04241	13.3
102.96758	2.1
103.97551	5.1
104.98320	51.3
105.07033	8.5
107.08593	4.1
108.92401	1.4
109.02867	1.0
109.06506	1.3
109.10178	4.6
111.02672	5.6
112.03439	5.5
113.04236	35.5
113.05952	1.2
114.05016	6.3
115.05806	13.0
115.36972	0.8
116.07041	0.9
116.98301	5.5
116.99526	1.8
117.06989	2.3
117.99117	1.6
118.99873	8.4
119.08631	4.0
120.08076	1.2
120.97827	5.2
121.10120	4.4
123.11720	1.0
128.06226	1.4
129.03706	13.7
129.07013	3.4
130.07764	0.9
131.05252	2.4
131.08568	4.5
133.10109	4.8
135.11717	1.7
136.95461	2.9
137.09531	1.1
141.07039	1.5
142.07794	3.8
142.99834	0.9
143.08601	6.2
144.99451	1.6
145.01425	9.6
145.10095	6.8
147.04823	1.1
147.11693	5.0
152.95027	1.1
155.08577	3.9
157.10123	19.1
159.11685	9.6
161.00940	1.8
161.09677	0.9
163.02484	8.7
167.08542	1.2
169.10129	4.4
171.11703	7.0
173.13295	1.5
174.99257	1.4
176.98868	2.0
179.00183	1.4
179.01872	1.7
182.10880	1.3
183.11751	6.7
185.13268	3.5
195.11604	1.1
197.11699	1.5
197.13248	6.2
199.14905	1.4
209.13289	1.3
211.14743	6.1
223.14780	1.3
224.15529	1.9
225.16362	3.3
236.35490	0.9
238.17177	1.7
246.13364	1.0
250.04625	1.0
253.19537	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.1
57.07066	1.9
57.96619	0.8
61.01154	1.9
67.05495	2.5
69.07074	1.8
69.56100	5.6
73.01125	3.7
79.05496	2.0
80.24081	1.0
81.07046	3.2
83.08620	3.5
87.02699	2.8
91.05515	1.0
95.08603	2.2
98.20655	1.2
98.98478	100.0
100.98898	1.1
104.98322	8.1
109.10149	2.2
113.04244	5.2
114.05003	1.5
115.05810	1.1
116.98309	3.0
116.99490	1.9
118.99877	3.4
133.10146	1.7
140.01068	1.3
145.01378	1.2
147.02975	9.9
174.99255	1.8
176.98918	2.2
179.00238	9.0
183.11707	1.0
197.11728	1.1
253.11911	1.5
253.14116	1.8
253.19653	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	252.1092
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
53.03934	0.3
55.01898	0.2
56.96560	0.4
57.03417	0.2
62.98320	0.2
64.35637	0.2
69.03426	0.5
69.07066	0.2
69.71899	0.4
69.72313	0.5
69.73522	0.2
70.06599	0.3
71.04986	0.8
72.08149	0.7
72.46770	0.2
73.02921	1.2
81.03430	0.4
84.04491	0.6
84.05003	0.2
84.08152	1.7
84.76673	0.2
86.09701	1.0
94.04044	0.4
98.97591	0.4
98.98464	1.9
99.04478	1.0
102.05536	0.2
110.07183	0.2
116.98603	0.3
117.05498	1.9
119.03548	1.4
129.10255	0.6
129.81798	0.2
130.04924	0.2
136.06192	100.0
137.04590	0.7
137.06541	0.3
137.44582	0.2
160.09798	0.2
179.08612	0.3
207.08072	0.5
246.95647	0.2
252.10941	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	252.1021
Annotation	Arboricine
Peak:m/z	Relative Intensity
52.22588	0.2
55.01873	0.9
55.05507	0.5
56.05039	1.1
56.96572	1.4
57.03442	0.4
58.06601	1.3
58.32679	0.2
59.06908	0.4
60.04530	0.8
61.02940	0.2
67.05498	0.4
68.05030	0.7
69.03429	0.8
69.05373	0.3
69.07071	0.9
70.02959	0.3
70.06601	2.6
71.05006	1.3
71.55083	0.4
72.08157	2.9
72.93785	0.3
73.01129	0.3
73.02914	1.1
73.06522	0.3
74.00665	0.6
74.06083	0.6
79.05521	0.3
81.03410	0.4
84.04513	3.0
84.08150	8.3
85.02906	0.8
85.04040	0.7
85.06575	0.4
85.08479	0.7
86.09715	4.8
86.10213	0.2
87.10062	0.3
88.03993	1.6
93.92978	0.3
94.04037	0.5
95.04936	0.3
97.02969	0.3
98.97581	2.2
98.98473	13.1
98.99123	0.6
99.04443	1.3
101.04287	0.3
101.95072	0.4
102.05557	0.5
103.05514	0.3
106.06548	1.6
109.06453	0.3
110.07183	1.1
112.04066	0.3
112.08794	0.3
114.99848	0.2
116.07104	0.8
116.98628	1.3
116.99454	0.4
117.05486	2.6
117.07504	0.3
119.01880	0.5
119.03564	0.8
120.04478	0.3
120.08127	0.7
127.03869	0.2
128.98657	0.4
129.10239	3.4
130.05023	1.3
130.08659	1.0
131.05362	0.8
134.99689	1.0
136.06192	100.0
137.04630	0.6
143.11806	0.4
144.10190	0.3
147.04477	0.3
147.11365	0.4
148.02411	0.4
158.99724	0.3
160.43884	0.3
163.97902	0.3
165.06961	0.3
171.04335	0.6
171.09215	0.6
177.00714	0.3
177.03343	0.8
177.07144	0.4
178.03624	0.7
178.05142	0.3
178.07767	7.3
179.08563	14.2
181.06485	1.8
181.97214	0.4
189.06990	2.9
191.07280	0.3
195.08109	0.7
205.06511	0.4
205.08952	0.3
205.98801	0.6
206.07184	0.6
206.09709	1.0
207.08064	33.4
208.08414	0.5
209.06027	0.4
217.06516	3.0
217.09822	0.3
221.05965	0.8
222.70280	0.3
234.04041	0.4
234.07570	0.3
235.07559	8.8
252.10236	26.1
252.15950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01618	1.2
55.01874	17.4
55.05517	1.4
56.05043	4.9
56.96560	3.3
57.05806	0.7
57.07079	1.0
58.06604	44.6
58.99571	1.1
59.06117	0.9
60.04513	1.3
61.01155	7.0
63.00732	0.6
67.05512	6.5
68.05034	22.9
69.05820	0.6
69.07066	1.0
69.15002	0.6
70.06595	19.7
70.57961	1.7
72.08165	6.0
73.01140	1.5
74.00671	28.9
74.06072	0.7
75.01457	0.6
76.04009	1.7
81.03462	0.6
82.06575	4.3
83.06107	1.5
83.07369	16.7
84.04513	17.1
84.08149	41.8
85.02934	1.4
85.04031	30.3
86.09724	3.1
88.02208	0.6
88.04027	0.7
89.06013	0.6
90.03777	3.9
90.96769	0.6
91.05504	0.7
92.01708	11.4
94.06567	0.7
97.02840	0.7
98.98473	100.0
104.98325	20.3
106.04898	1.7
107.99422	2.2
110.07169	2.0
112.03972	12.9
112.58936	0.7
113.03510	10.0
114.03779	2.4
116.01665	0.6
116.07099	40.7
116.98642	1.6
116.99507	2.4
121.02886	1.3
129.06618	2.2
129.10252	2.7
130.05011	56.6
130.99846	0.6
131.04533	23.3
134.99661	0.8
136.06187	7.4
146.06047	1.0
147.04712	1.5
148.02501	30.1
155.52803	0.7
160.00658	3.4
163.07565	1.3
174.99326	3.6
176.02008	2.3
177.03302	77.8
185.09198	1.1
188.01990	4.9
207.08118	0.7
209.20212	0.6
217.06424	1.8
227.97520	0.9
234.02501	1.3
251.05199	26.7
251.12785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79756	0.4
55.01874	23.1
56.05035	2.1
57.03428	0.7
57.07060	0.4
58.02952	0.5
58.06603	28.4
58.99591	5.6
59.06131	1.3
61.01156	33.3
67.05516	3.3
68.04666	0.7
68.05033	13.9
69.68890	2.5
70.06245	0.7
70.06599	9.8
70.99567	2.9
71.13651	0.4
72.00375	0.4
72.08141	0.5
73.01150	0.5
74.00671	58.7
74.13799	0.4
75.01431	0.4
76.04001	3.2
82.06596	3.4
83.06116	2.1
83.07367	11.1
84.04510	19.9
84.08149	30.2
85.04034	42.8
86.02405	0.4
86.09718	1.4
87.02696	1.1
88.02236	1.1
88.07627	0.5
88.46930	0.4
90.03784	2.8
92.01711	15.2
95.04946	0.5
97.01088	0.5
98.98474	30.5
99.02698	0.4
104.98323	78.7
107.99418	1.0
110.06055	1.6
111.05595	0.5
112.03974	20.5
113.03496	13.3
113.04273	0.9
114.03767	2.6
114.28291	0.4
115.02178	0.6
116.07101	27.0
120.08101	0.4
122.06007	0.4
123.06858	0.5
129.06616	1.8
130.05011	89.9
130.99852	1.7
131.02864	1.1
131.04535	30.0
134.21167	0.4
136.07587	0.9
145.06189	0.4
148.02507	32.7
159.02071	0.4
160.00644	4.8
160.42445	0.4
167.08295	0.7
169.07378	0.7
174.99219	1.1
176.01988	1.9
177.03304	100.0
178.03419	0.6
188.00342	0.6
188.02010	10.4
217.06422	1.3
233.04149	0.8
234.02498	2.3
251.05232	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	251.128
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
51.85484	0.5
52.87912	0.4
53.03936	0.9
55.01874	22.6
55.05261	0.8
55.05513	11.5
57.03434	0.6
57.07069	1.0
58.06606	4.3
58.99580	0.8
59.04998	5.8
60.04528	0.6
61.01150	0.9
65.03921	0.6
67.05508	4.0
68.05039	2.8
68.99807	3.6
69.03428	1.5
69.07071	9.5
69.32744	2.1
69.33176	2.4
70.06593	2.0
70.99573	0.5
71.04990	0.8
74.00666	3.0
79.05496	9.7
81.07071	2.5
82.06560	0.7
82.51546	0.5
83.01359	1.5
83.04983	7.5
83.07361	1.5
83.08624	12.2
84.04521	2.4
84.08157	4.8
85.02906	1.2
85.04041	2.9
85.06548	0.8
86.09717	1.3
91.05485	5.9
92.01698	0.8
93.07053	15.2
95.04970	10.3
95.08602	1.1
96.05761	0.6
97.06538	12.2
97.21067	0.5
98.98471	100.0
99.02686	1.2
99.04485	0.8
104.98334	2.9
105.07039	1.9
107.04963	1.0
107.08620	1.3
107.33897	0.5
109.06525	2.2
110.77428	0.5
111.02670	1.8
111.04446	5.3
111.08086	90.3
111.55023	0.7
112.02762	0.6
112.03446	2.0
112.04099	0.7
113.03506	1.1
113.04227	5.0
113.06024	1.0
114.03754	1.0
115.05433	0.6
115.07567	1.2
116.07083	4.8
116.99493	2.1
117.07053	1.9
117.09126	0.8
117.68867	0.5
119.04910	0.7
119.08572	1.0
121.02869	0.5
121.06516	7.4
121.10189	0.5
123.08104	1.0
124.09970	0.6
125.05996	18.1
129.03709	0.7
130.05031	4.9
131.04492	3.0
131.08583	2.2
135.04448	0.6
135.08041	1.6
137.06017	1.1
139.03912	14.5
139.07547	49.7
142.99881	4.2
145.10103	0.8
148.02509	4.2
149.05936	0.6
149.09665	1.2
151.07564	1.2
153.05479	9.7
154.33470	0.5
158.09425	0.5
159.08076	1.5
161.00929	0.6
163.02480	1.2
163.03839	0.8
163.07555	0.7
163.11201	0.9
167.07031	4.0
173.09604	1.8
173.84949	0.5
174.99283	3.4
175.07645	0.7
177.03291	8.8
177.05003	0.7
177.05492	0.8
177.09125	1.0
178.06377	1.0
187.11206	0.5
188.02126	0.6
189.08958	0.5
191.07127	1.2
191.10678	3.9
195.06549	15.7
195.11610	0.6
201.09100	0.6
205.12138	0.8
209.11761	1.4
209.13495	0.6
215.10628	0.8
219.10120	2.6
223.13368	1.3
226.22766	0.6
228.61050	0.5
233.11673	4.2
238.08656	0.8
251.05435	2.6
251.12802	85.0
252.13161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	25.5
56.05026	3.1
58.06344	1.9
58.06606	30.7
58.99576	5.9
61.01157	35.6
65.45060	1.3
67.05490	5.5
68.05023	15.0
70.06598	11.2
70.60574	2.5
70.60909	1.8
70.99572	3.0
72.08147	1.4
73.01148	1.5
74.00671	62.7
76.04006	3.1
82.06559	4.6
83.06097	2.7
83.07365	10.0
84.04510	24.3
84.08151	38.9
85.03540	2.3
85.04034	42.9
85.04550	2.7
86.09711	7.1
90.03744	3.1
92.01708	17.0
96.90881	1.4
98.84438	1.5
98.98475	100.0
104.98325	88.3
107.99395	2.3
110.06044	1.5
112.03989	22.6
113.03493	15.9
114.03743	2.9
116.06335	2.2
116.07098	29.7
122.06003	1.3
127.32448	1.5
129.10222	2.7
130.05013	96.9
130.99828	2.5
131.04532	31.1
141.83749	1.5
148.02510	35.7
160.00648	3.7
167.72322	1.4
174.99231	2.9
176.02058	2.0
177.03307	99.4
188.02014	10.3
215.26080	1.5
217.06390	2.2
251.05190	16.5
251.16415	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	251.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
55.05507	0.5
57.07064	0.5
58.99572	0.7
59.05008	0.6
61.01151	2.0
67.05492	1.3
69.07072	1.2
70.51460	1.3
71.04981	0.6
73.01136	1.4
75.02699	0.6
77.01594	0.6
79.05504	2.7
80.46492	0.4
81.03422	0.8
81.07070	1.7
91.05472	0.5
91.84565	0.4
93.07056	1.5
95.04972	1.1
95.08604	1.2
96.05731	0.6
96.92405	4.6
97.06554	0.6
98.98469	100.0
99.02668	0.6
101.04208	0.4
104.98325	11.6
105.07050	0.6
107.08603	0.7
109.06509	0.6
109.10143	0.6
111.02677	2.0
112.03455	1.7
113.04233	35.1
113.49641	0.4
114.05054	0.6
116.98325	0.7
116.99507	2.3
117.08466	0.3
118.96299	0.4
119.08579	0.8
121.10165	0.7
122.10999	0.4
123.08121	0.5
125.04252	0.7
130.99889	0.7
131.08574	0.7
138.97023	2.6
140.01077	0.5
142.99815	0.5
145.01411	3.0
145.10153	0.4
147.11737	0.4
153.07350	1.8
161.00977	0.8
163.07532	0.7
163.11363	0.4
174.99232	3.1
176.98621	17.0
187.06172	2.2
204.77881	0.4
215.10748	0.5
233.15366	0.7
251.00493	5.3
251.05270	0.4
251.12566	0.5
251.16226	0.8
251.18298	0.6
251.20238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01620	1.3
55.01878	18.7
55.05518	0.9
56.05040	2.6
57.05840	0.7
57.07091	0.7
58.02963	0.7
58.06606	52.8
58.99594	1.4
61.01160	6.6
67.05508	6.7
67.50329	0.6
68.05037	25.1
69.07067	1.2
69.94096	1.1
69.94505	2.0
70.06597	18.5
70.99578	1.0
72.08156	2.3
73.01141	1.2
74.00671	31.4
74.92517	0.6
76.04014	2.8
79.05510	1.2
82.06180	0.7
82.06592	3.9
83.06106	2.3
83.07370	19.4
84.04512	17.0
84.08151	45.2
85.04036	34.0
86.09699	5.3
88.02234	1.1
90.03793	4.6
91.05486	1.5
92.01711	14.5
93.07055	1.1
95.04955	0.9
97.06502	0.9
98.98476	100.0
104.98322	24.5
105.07053	1.3
107.99413	2.3
110.07185	2.1
112.03207	1.4
112.03975	15.2
112.04749	1.0
113.03501	10.7
113.04256	0.9
114.03767	2.7
116.07103	45.9
116.99525	2.2
121.06532	0.6
129.06624	1.8
129.10251	4.1
130.05017	57.2
130.99829	1.1
131.04533	25.8
131.05519	1.3
139.08696	0.7
148.02513	32.5
149.03784	1.3
160.00630	3.8
163.07504	0.8
174.99245	3.6
175.01570	0.6
175.36627	0.7
176.02063	3.5
177.03307	88.6
178.13318	0.6
185.09332	0.8
188.01962	3.1
217.06451	1.7
220.19118	0.6
223.15540	0.7
223.55681	0.6
226.13680	0.6
230.04118	0.7
233.11774	0.8
234.02519	2.1
251.05209	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.05513	1.0
56.96574	0.4
58.99582	1.9
59.04998	0.4
61.01158	3.8
65.03940	0.6
67.05508	2.9
69.07077	3.0
70.81479	0.8
73.01138	3.0
74.01924	0.5
75.02707	0.5
77.01608	0.5
79.05500	5.5
81.07080	2.1
81.29895	0.4
83.04958	0.4
83.08612	0.4
85.01131	1.1
86.99041	0.6
89.00620	0.9
90.01379	0.6
91.05503	0.8
93.07035	0.8
95.04967	0.9
95.08605	1.4
96.05750	0.5
96.92411	6.2
97.01111	1.0
97.06561	2.9
98.07314	0.4
98.98476	100.0
99.02682	3.9
101.04260	0.8
102.96728	0.5
103.97562	0.5
104.97617	0.7
104.98328	14.9
105.07092	0.5
107.08614	1.1
109.06548	0.4
109.10153	1.3
111.02654	2.9
112.03454	4.6
113.04240	57.8
114.05078	1.9
116.98311	2.6
116.99524	2.8
118.99865	0.4
119.08599	0.4
121.10143	1.2
123.08086	0.4
123.11687	0.6
125.04184	1.1
127.02123	0.8
129.03697	1.0
130.99863	0.6
131.08572	0.5
133.01466	0.7
134.53966	0.3
135.11664	0.4
138.97054	4.7
140.01064	0.6
142.99826	1.9
144.00644	0.9
145.01422	3.7
149.09575	0.4
153.07320	2.1
155.08925	0.5
161.00903	1.5
163.07561	0.5
174.99231	3.3
176.98636	20.5
187.06059	1.2
233.15306	0.5
233.19023	0.4
251.00333	5.5
251.02728	0.7
251.16388	0.9
251.20142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.29654	0.4
57.07078	1.1
58.99583	0.9
61.01160	2.8
67.05515	0.9
68.05017	1.7
69.07065	0.8
71.08634	0.4
71.28976	0.7
73.01137	1.1
75.02715	0.5
79.05496	4.0
80.62105	0.4
81.07066	0.9
83.04964	0.7
92.80722	0.4
93.07036	1.3
95.04987	0.8
95.08610	0.5
96.92410	6.8
97.06537	0.7
98.98475	100.0
99.02674	1.2
104.98327	15.7
105.07047	0.5
107.08587	1.0
109.10175	0.7
111.02655	2.6
112.03471	3.3
113.04240	47.6
114.05094	0.6
116.99504	2.7
121.10112	0.5
125.04193	0.4
125.06082	0.4
130.99817	0.5
138.97067	3.8
140.01118	0.5
142.99898	0.5
144.76274	0.4
145.01401	3.3
153.07379	2.3
154.08084	0.6
163.07518	0.6
174.99269	3.1
176.98631	22.4
187.06136	1.6
191.10780	0.4
196.68707	0.4
250.25319	5.0
251.00511	6.9
251.04788	0.7
251.10390	0.5
251.18120	0.7
251.23575	0.9
251.25769	1.2
252.06131	0.4
266.39560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63441	0.4
53.03943	0.6
55.05505	0.9
57.07077	0.8
58.16603	0.5
58.99585	1.1
61.01160	2.8
63.44007	0.4
63.94461	0.6
67.05495	1.5
68.05030	1.1
69.07077	1.3
70.57397	1.3
73.01141	1.5
75.02689	0.4
77.01632	0.5
79.05501	3.3
81.07050	0.7
83.04996	0.5
85.01109	0.7
91.05463	0.5
93.07031	0.7
95.04942	0.6
95.08622	0.9
96.92410	4.9
97.01125	0.7
97.06534	0.9
98.01898	0.4
98.98474	100.0
99.02687	1.3
104.98324	15.2
105.07056	0.5
107.08607	0.6
111.02669	2.9
112.03455	3.6
113.04241	56.0
116.98289	0.9
116.99516	2.1
119.08577	0.6
121.10142	1.2
122.10849	0.6
125.04282	0.5
128.19804	0.4
130.99881	2.0
138.97070	3.6
140.01129	0.9
141.07339	0.7
142.99748	0.8
144.00697	0.9
145.01407	4.1
153.07344	2.4
161.00954	0.6
174.97079	0.6
174.99208	3.2
176.98634	25.4
187.06113	7.4
190.94678	0.5
215.10701	0.4
250.25348	3.8
251.00490	9.6
251.02637	0.6
251.04794	0.6
251.20303	0.5
251.25734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46970	0.6
55.01876	0.6
55.05512	0.8
56.05038	1.2
56.96556	1.8
57.03445	1.3
58.06605	0.8
58.99580	0.7
61.02933	1.3
68.05042	0.7
69.03438	3.9
69.07084	1.5
70.06599	6.7
71.06954	0.7
71.54258	0.9
72.08157	2.1
73.01143	1.0
73.02921	1.3
74.00666	0.9
74.06064	0.5
81.03429	1.5
82.06611	0.8
83.06102	0.6
84.04510	4.6
84.08154	6.8
85.02914	20.0
85.03437	0.9
86.09718	3.6
88.04002	1.0
88.07641	100.0
93.49700	0.6
97.02911	6.2
98.98479	36.1
104.98354	1.2
107.04920	0.6
109.02892	2.6
110.07192	2.2
116.07140	1.3
116.98632	1.3
116.99462	0.9
117.98975	0.7
121.02898	1.7
121.06540	0.8
127.03957	2.7
129.10275	2.0
130.05005	1.4
136.06203	4.6
136.07582	0.7
145.04993	2.0
174.99266	0.9
191.03838	0.5
237.02876	0.6
250.09270	4.3
250.21947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.70456	0.4
55.05504	1.0
57.07079	1.9
58.99593	0.7
59.05010	0.4
61.01154	1.1
67.05505	1.3
67.09188	0.4
69.07077	1.9
69.53129	2.7
73.01139	1.4
75.02714	0.4
76.19869	0.3
77.01600	0.5
79.05500	7.2
81.07062	1.1
83.08630	0.5
85.01144	1.2
91.05453	0.4
93.06995	0.4
95.04963	0.6
95.08604	0.9
97.01098	0.5
97.10217	0.4
98.01933	0.7
98.98473	85.4
99.02679	9.8
103.97574	0.5
104.98334	2.9
105.07039	0.7
109.10165	0.5
111.02644	1.0
112.03447	1.9
113.04237	100.0
114.04385	0.5
114.05048	8.3
115.05798	0.8
116.99522	2.7
117.07067	0.5
121.10141	1.2
122.11011	0.4
130.99838	0.5
131.01105	0.4
135.11685	0.4
136.95488	1.2
138.97083	1.0
140.01097	1.2
145.01418	4.6
153.07257	0.7
174.99252	3.5
176.98615	11.0
187.06093	1.4
211.29645	0.4
251.00519	4.7
251.04799	0.4
251.16202	2.2
258.36865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.05488	0.4
58.99603	0.7
61.01138	0.9
62.63739	0.3
65.03929	0.4
67.05501	0.6
69.07079	1.6
70.61883	0.7
73.01140	1.5
75.50343	0.3
79.05501	8.1
81.07060	0.4
83.08625	0.4
85.01129	1.2
90.98222	0.4
93.07041	0.5
95.04961	1.0
95.08629	0.4
96.92422	0.4
97.01107	0.5
98.01891	0.6
98.98474	47.7
99.02686	10.2
103.97478	0.4
104.98322	3.1
107.08572	0.7
111.02656	1.1
112.03424	2.6
113.04238	100.0
114.05034	9.4
115.05819	0.8
116.99514	1.1
120.50354	0.3
126.08525	0.4
135.08130	0.4
136.95514	0.7
138.97061	1.0
145.01424	4.0
147.02914	0.4
153.07307	0.5
174.97073	0.5
174.99155	1.8
176.98633	12.1
187.06096	1.9
195.11655	0.4
251.00490	4.7
255.06310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.52580	0.5
52.73713	0.5
52.89186	0.4
53.03949	0.5
55.01868	0.8
55.05501	0.9
56.05025	0.7
57.03428	1.2
57.07073	0.5
67.05498	1.2
67.28373	0.4
69.03419	2.1
69.07069	0.6
70.06573	1.7
72.08141	0.6
74.06049	0.6
79.05490	1.5
81.03410	1.2
81.07038	1.2
83.04956	0.9
84.04511	3.5
84.08119	2.0
85.02908	1.5
86.09701	1.3
91.05481	9.2
93.07024	1.3
95.04981	3.5
95.08608	0.9
97.02881	1.7
97.06524	0.5
98.21521	1.1
103.05453	1.5
105.07040	4.7
107.04989	2.5
107.08617	0.9
109.02867	0.5
109.06483	0.6
109.10161	0.5
110.07188	0.9
110.92068	0.5
115.05451	5.7
116.06236	3.5
117.07003	3.7
119.04945	1.2
119.08569	1.3
120.08088	2.9
121.06487	1.3
121.10212	0.5
123.04417	0.8
127.03860	0.7
128.06239	10.5
129.07024	22.9
129.10255	0.9
130.04987	1.5
130.07811	1.1
131.04929	2.4
131.08580	16.8
132.05701	1.7
133.06508	4.1
133.10112	2.0
135.04434	0.8
135.08028	0.6
141.05968	0.8
141.06996	9.8
142.07787	4.5
143.04926	0.9
143.08551	4.0
144.05707	9.4
145.06500	7.2
145.10159	0.9
146.03642	0.7
146.07269	3.1
147.04408	2.0
147.08015	1.3
152.06210	1.1
153.06929	2.9
155.06044	2.3
156.05707	2.0
157.06511	8.6
158.07266	3.1
159.04402	1.4
159.08067	28.7
160.05180	1.3
160.08646	0.6
161.05981	4.5
161.09657	7.9
167.05022	0.7
167.07030	0.6
169.06441	1.7
169.07716	2.7
170.07278	8.3
171.04344	1.0
171.08049	6.7
172.05252	2.8
173.06020	4.0
174.06808	3.3
175.03984	0.7
175.07541	3.6
177.05403	0.8
178.06235	1.3
181.06334	0.7
184.05280	0.8
185.05957	1.0
185.13281	0.6
186.06805	1.0
187.07553	17.4
188.08308	1.9
189.05493	3.6
189.09125	9.8
189.10791	1.0
189.12715	0.8
190.06230	1.2
191.06993	1.5
193.06480	0.5
193.08597	0.7
198.06786	2.1
199.07503	3.4
201.05524	1.6
203.07033	6.0
203.14343	0.9
204.06082	0.9
204.07846	13.0
204.09766	0.8
205.08594	2.4
206.09439	1.2
207.06410	0.6
216.07826	4.0
217.05058	0.9
217.08633	1.0
218.09537	0.9
219.06653	0.6
219.10182	2.1
221.08203	0.8
221.11728	3.7
228.30733	0.5
229.70654	0.6
231.06488	0.6
231.10097	5.9
231.13783	1.3
234.08853	1.5
249.11237	100.0
260.95767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.076
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
55.01870	1.9
55.05508	1.5
56.05036	0.9
57.03444	0.8
57.38403	0.8
59.05010	0.8
61.01162	1.2
67.05504	1.5
69.03416	1.8
69.07066	2.5
69.74704	0.6
70.06604	5.9
70.56381	0.7
71.54195	0.6
72.08157	2.3
73.01144	1.1
74.06073	1.1
79.05502	1.4
81.03428	3.0
81.07060	2.3
83.04971	0.7
83.06121	1.7
84.04509	2.4
84.08150	5.1
85.01144	1.2
85.02904	2.4
86.09719	8.2
88.04010	0.9
91.05480	4.5
93.07058	1.3
95.04978	1.0
95.08614	1.2
97.02888	0.9
102.05579	1.1
103.05479	0.8
105.07032	5.6
107.04926	1.2
107.08613	1.4
109.02885	3.0
110.07170	7.3
113.03014	0.7
114.03739	1.7
115.05463	32.5
116.07053	0.8
117.07033	4.7
118.06555	0.8
118.99857	1.9
119.04954	4.2
119.08594	2.4
120.08131	4.2
121.06550	0.9
121.10125	0.9
122.07117	1.4
127.03916	1.1
129.10246	1.7
130.05017	1.1
130.06531	3.1
131.04935	1.8
132.05707	2.9
133.06488	3.6
135.04431	1.5
135.08061	1.3
136.07603	4.0
137.05963	1.7
142.08690	1.0
143.04939	61.1
144.05693	1.3
145.06497	4.3
146.00925	2.3
146.03644	7.8
147.04410	7.0
147.08066	3.2
148.95416	0.7
151.07532	0.8
160.05223	20.8
161.06004	31.0
161.09608	2.0
171.04427	36.0
174.00452	1.2
174.06798	1.1
175.04045	1.8
175.07562	55.6
175.88158	0.8
176.07956	1.0
178.06091	0.7
179.07072	3.5
181.08656	0.7
187.07463	0.8
188.04694	2.5
189.05473	13.9
189.09077	1.1
190.06236	1.1
191.69325	0.9
199.03969	1.5
199.07213	0.9
203.07050	100.0
204.07443	1.5
207.06516	1.0
213.12685	1.0
217.04987	15.3
219.13797	1.4
221.08076	5.3
231.06549	2.1
231.13808	2.4
249.03448	1.7
249.07607	54.2
249.15016	2.7
249.18301	0.7
250.10732	3.6
252.11044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81718	0.9
55.05500	2.1
56.96569	26.3
57.03437	1.1
59.39715	1.1
70.98797	2.4
71.95241	1.1
72.08161	16.0
72.91357	1.0
74.06081	1.7
77.06198	0.9
82.49634	1.0
84.04508	1.5
84.08163	1.6
84.96024	1.3
85.02898	2.0
94.93025	15.0
98.97589	100.0
100.99160	14.8
112.99120	1.3
116.98634	44.9
119.00164	4.5
119.01938	2.5
122.01379	1.2
128.98605	1.7
131.00194	2.9
133.03416	2.2
134.99669	12.4
143.00165	14.8
144.98103	1.0
146.99652	3.7
147.03177	0.9
149.01224	1.2
150.05870	2.0
151.04535	1.5
155.01910	1.2
158.99632	5.2
159.05145	1.5
161.01234	19.3
165.00748	10.3
170.99654	1.1
177.00771	6.2
179.02309	2.3
183.01749	7.6
187.04555	2.8
189.00719	20.1
191.05789	1.2
206.88686	2.8
207.01796	43.6
225.02925	4.8
230.03441	1.3
231.03357	2.2
248.89627	1.6
249.03835	5.0
267.03845	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.8969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80707	0.5
56.96564	0.9
69.26784	0.4
69.69087	2.8
71.57773	0.5
83.59525	0.5
86.74486	0.4
89.44643	0.4
94.93024	100.0
98.97613	3.2
100.99142	0.8
116.98660	0.9
128.94051	0.4
134.99678	0.6
136.94034	1.0
143.00154	0.5
150.91953	4.0
161.02892	0.5
172.13823	0.6
189.00769	0.7
202.89015	0.5
206.88618	24.0
207.01837	1.8
248.89679	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	249.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05511	1.9
56.05031	2.5
56.96570	41.9
57.03421	2.1
61.01153	1.4
61.02922	1.7
62.10510	0.7
69.03436	4.3
69.64704	3.7
70.06607	6.1
70.32844	0.7
70.98123	1.0
71.03172	0.7
71.04991	1.2
71.95253	1.6
72.08163	7.4
73.01139	0.8
73.02925	1.6
74.06077	2.9
74.97636	1.0
81.03456	1.9
81.07079	0.8
84.04521	2.8
84.08153	13.1
84.96032	3.1
85.02914	5.6
85.08485	2.4
86.09725	5.1
88.03996	1.5
88.93772	0.7
91.02224	0.9
91.05453	1.1
97.02891	5.6
98.06025	1.5
98.97591	100.0
100.99154	14.5
101.00864	1.3
102.59962	0.7
103.02438	1.6
104.05344	1.5
109.02905	1.2
110.01289	1.0
110.07176	4.8
110.97571	3.8
112.99161	4.3
114.03739	1.2
116.98631	57.4
117.98959	1.2
119.00195	3.9
119.01898	4.4
120.08131	1.9
121.01747	1.1
127.03951	1.3
127.21390	0.7
128.98599	6.2
129.10242	5.0
130.08662	1.4
130.10635	1.7
131.00174	7.6
131.01855	1.7
132.95853	1.4
133.01674	1.3
133.03429	3.4
134.06009	2.1
134.99666	21.0
136.07588	1.3
140.00200	1.8
143.00177	12.7
143.01901	0.9
144.98192	0.9
145.01691	1.6
145.03450	1.4
146.97894	1.7
146.99673	6.2
147.03093	1.0
149.01245	10.2
150.96921	0.9
151.08687	1.4
153.00706	2.3
153.05728	1.2
156.98149	1.7
157.03532	1.4
158.01294	1.1
158.99669	5.9
159.03256	2.0
159.05135	0.9
161.01242	23.7
162.06357	0.9
163.02788	1.1
164.99019	2.5
165.00746	10.8
167.02289	2.8
168.03737	1.3
168.55200	0.8
169.04401	2.7
170.05171	3.3
170.99733	1.9
173.01253	1.9
173.02998	1.3
174.04378	0.9
174.99130	6.2
175.02838	1.6
175.04457	1.6
176.98514	0.9
177.00768	7.7
177.04330	1.7
177.05969	0.9
179.02254	4.5
183.01781	5.9
185.02953	1.3
187.04550	1.5
188.99048	1.8
189.00714	20.1
189.02335	1.5
191.02284	1.4
191.03989	1.5
191.05721	2.8
193.00223	8.0
197.50606	0.8
201.00563	1.1
203.00455	0.9
203.02263	1.3
203.04082	2.0
207.00049	2.2
207.01781	48.1
219.01773	1.8
223.01405	0.8
223.04781	0.8
225.02829	5.1
226.05779	0.9
230.03496	1.6
231.01767	1.8
231.03656	1.8
231.07306	1.3
232.03712	1.5
234.99507	1.9
237.02747	0.8
248.99173	1.8
249.02782	14.2
249.08337	1.5
249.12614	0.7
249.16359	1.4
253.00685	1.5
266.54648	0.8
267.03949	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	247.1291
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
56.05033	2.7
61.01160	1.0
61.02148	0.7
62.96557	0.7
67.05530	1.1
69.07069	11.1
70.02959	7.2
70.06586	2.7
70.60165	1.2
70.60478	1.3
73.02926	2.3
73.06555	1.1
84.08148	2.8
85.04057	2.9
86.09713	100.0
87.10031	1.0
88.03998	55.7
96.08110	0.9
98.02414	5.7
99.00825	1.5
100.03920	1.2
104.05325	3.5
110.02407	13.7
113.10776	12.6
115.05050	0.8
116.07085	6.0
124.03972	1.0
132.10217	53.7
138.09155	2.4
141.10234	24.0
155.11826	1.5
156.10229	3.3
163.62628	0.8
166.08649	17.2
166.09937	1.4
169.09753	1.1
183.11307	8.2
184.09712	2.6
187.10794	13.8
187.12315	1.2
201.12355	39.3
211.10878	1.2
212.09184	18.2
229.11920	7.5
247.12970	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	247.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82277	0.7
56.05041	5.1
59.05895	0.7
60.08478	0.7
61.01144	2.6
67.05539	0.8
69.07069	12.8
69.59781	0.9
70.02953	7.6
70.06602	3.8
70.12547	0.7
71.06599	1.8
72.08152	1.7
73.02919	2.1
73.06559	1.4
83.54645	0.7
84.08155	2.6
85.04032	4.7
86.09708	100.0
88.03993	51.8
96.08128	2.8
98.02425	4.0
98.97540	0.8
100.03979	1.4
104.05338	4.6
110.02402	13.5
113.10777	11.4
116.07104	9.3
124.03948	2.8
125.64758	0.7
129.10269	1.0
132.10207	52.8
138.09186	2.4
141.10233	24.1
155.11835	1.4
156.10184	6.6
166.08643	16.6
169.09715	1.2
183.11284	7.7
184.09731	1.8
187.10805	14.6
187.12318	0.5
199.10808	0.8
201.12347	41.4
211.10658	0.8
212.09183	16.0
229.11873	7.4
247.10892	1.0
247.12988	9.3
258.40570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
56.05032	1.9
56.96572	43.3
57.02611	0.9
57.03419	1.4
60.08152	0.9
64.24788	0.8
69.03439	1.7
70.06580	2.7
71.54822	1.3
71.95257	3.4
72.08160	1.8
72.96042	2.5
73.08490	1.4
74.06064	3.3
74.97609	1.8
83.97652	1.1
84.04519	2.3
84.08154	24.8
84.96006	1.3
85.02912	13.9
86.09287	1.1
86.09720	14.0
87.10046	4.4
88.03993	1.1
98.97596	100.0
100.99156	1.0
101.00887	1.0
103.03929	1.8
110.07142	1.6
110.97534	1.2
113.86224	0.8
116.98634	53.4
119.01835	1.7
126.02296	2.6
129.10263	7.0
130.08659	3.4
130.48149	1.0
131.00191	1.9
134.01241	1.8
134.99669	18.6
140.00250	1.3
140.03874	2.7
142.01683	1.5
142.05432	1.6
143.00131	1.7
146.99644	2.0
147.11292	3.5
158.04904	4.1
158.99548	1.1
160.06421	4.9
161.01213	1.7
165.00638	1.1
170.04875	2.6
171.03308	2.9
176.06009	1.3
178.07562	1.0
188.06105	4.6
189.00676	1.2
189.04369	12.7
189.07658	1.1
202.07510	1.3
206.07079	11.2
207.01773	3.0
207.05405	6.8
216.00731	1.2
224.02596	2.5
224.08058	9.9
230.07018	35.3
231.05396	2.7
248.04182	3.5
248.08093	75.5
248.14720	4.9
248.15857	4.6
266.00143	1.4
266.09152	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	247.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.5
56.05039	1.3
56.96570	100.0
57.03442	0.9
58.06606	1.3
60.04549	0.8
64.83894	0.6
69.03426	1.6
69.07075	2.0
69.95388	3.1
70.02963	2.0
70.06597	7.4
70.98129	19.5
71.95295	1.3
72.08158	9.3
73.08514	1.2
74.06080	2.3
74.97596	5.0
75.55129	0.7
75.59672	0.7
77.22593	0.7
84.04509	4.0
84.08147	8.6
84.96036	7.8
85.02904	1.4
85.07701	2.6
85.08492	1.7
86.09713	15.3
86.97613	3.2
88.03994	7.0
88.99173	7.2
89.48744	0.7
91.05478	1.5
97.02925	1.4
97.73800	0.6
97.99224	0.8
98.20778	0.8
98.97599	11.3
100.99153	9.1
102.05586	0.7
102.97147	0.8
107.00213	1.5
110.02443	1.4
110.07162	0.8
110.97572	6.9
111.98508	0.8
112.95549	2.0
113.10776	1.1
114.95418	0.8
115.00691	0.9
116.07130	0.9
116.98620	8.6
118.08649	1.1
119.00197	5.9
119.01926	1.5
119.04963	0.7
120.08109	0.8
126.97081	2.1
128.98618	9.9
129.02222	0.8
129.06674	1.6
129.10295	2.1
130.08684	2.5
130.10631	0.7
130.96548	3.9
132.10245	5.8
132.96436	0.8
133.01755	5.0
134.99698	2.4
136.07652	2.8
141.10272	1.9
143.00214	2.4
144.98099	34.0
146.99660	7.0
147.00594	0.6
147.03276	1.4
148.97597	3.6
150.97356	0.9
155.04781	1.1
156.98279	0.7
158.99748	1.2
159.03261	3.3
161.01263	4.7
161.03036	1.0
162.99158	36.1
163.02834	1.0
165.00790	2.4
165.04379	0.8
166.08759	1.5
166.98718	0.9
174.99280	1.4
175.02852	0.9
177.00862	1.1
177.04401	2.2
179.02298	1.5
181.00217	8.0
184.09776	0.9
186.00774	0.7
186.99258	3.0
187.10832	1.5
193.00269	1.1
196.97932	1.0
199.01256	1.3
201.00720	1.2
201.12370	4.6
205.00212	37.7
205.03960	1.9
212.09277	1.5
219.00008	1.0
219.01913	1.5
223.01273	62.3
223.05009	1.9
224.01663	0.8
228.01942	1.1
229.05380	0.8
229.12099	0.7
237.03017	1.0
241.02242	5.1
246.02975	1.8
247.01393	1.9
247.04947	1.6
247.13379	2.2
247.16107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.145
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
55.01858	2.9
56.05040	3.1
56.96565	6.1
60.04540	2.8
69.03436	2.3
69.07072	62.8
69.76508	9.6
70.02957	21.2
70.06594	12.2
72.08162	14.0
73.02926	4.2
73.04069	1.8
73.06570	3.6
82.02944	1.7
84.04530	4.3
84.07693	3.3
84.08147	38.0
85.02901	2.8
85.04030	18.9
85.16424	1.8
86.09710	92.1
87.05592	78.1
88.03986	6.4
96.08119	3.8
97.06504	3.8
98.02420	21.9
98.33881	1.9
98.97560	3.1
101.28350	2.0
110.02407	83.1
112.08656	1.9
112.11225	2.2
113.10770	50.0
115.05013	2.0
115.08649	2.2
116.07067	2.2
124.03955	16.7
129.10236	8.5
129.61058	1.8
130.08649	5.6
132.10213	19.3
136.03963	5.0
138.09163	4.4
141.10228	98.3
143.11790	13.3
146.16376	1.9
147.11284	8.3
148.07751	2.2
155.11732	9.0
158.09122	2.3
164.03429	2.0
166.08644	97.1
169.09732	10.3
175.11862	5.0
182.04501	3.4
183.11282	18.6
187.10786	75.1
200.13963	29.9
201.12424	3.1
211.10783	9.8
212.09189	100.0
228.13481	5.0
229.11855	39.9
246.15488	5.9
246.18163	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	246.1704
Annotation	2-Methylbutyroylcarnitine
Peak:m/z	Relative Intensity
57.03445	1.8
57.07082	3.1
58.06629	0.2
60.08170	7.8
60.72969	0.2
69.42440	0.2
70.06604	0.5
70.80841	0.3
70.81166	0.4
84.08157	0.7
85.02914	100.0
85.06551	2.6
86.03239	0.4
86.09715	2.2
87.10046	0.9
128.80136	0.2
129.07909	0.2
137.12897	0.2
143.03598	0.4
144.10199	1.7
145.28299	0.2
184.04228	0.3
187.09671	10.9
246.17032	31.2
247.17285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83827	0.2
57.95525	0.2
69.07082	0.5
70.06572	0.3
70.68141	0.6
80.37086	0.2
83.46378	0.2
84.08109	0.3
86.09709	100.0
132.10216	3.2
142.03186	0.3
190.02562	0.2
199.18105	1.4
231.89720	0.2
245.18614	3.9
264.19601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77991	1.8
55.05520	9.3
56.81995	1.3
57.07074	5.1
60.93985	1.8
61.82806	1.4
67.05522	8.6
69.07072	13.4
69.40697	3.2
69.41097	10.6
70.04301	1.3
79.05492	5.6
79.56966	1.3
81.07065	21.7
83.08616	6.8
91.05471	5.6
93.07045	13.5
95.08620	25.8
95.40022	1.5
97.10168	5.4
105.07045	14.4
107.07972	1.8
107.08610	23.0
109.10169	18.0
114.03789	1.9
119.08584	21.4
121.10147	17.5
123.11703	11.0
131.08556	1.8
133.10159	14.0
135.11699	13.6
137.13263	7.1
142.03181	2.4
147.11688	12.9
149.13284	16.3
161.13271	11.4
163.14864	17.7
164.39099	1.6
171.33568	1.3
175.14822	22.8
177.16331	1.5
180.48840	1.6
187.14865	2.6
189.16376	23.4
203.18008	8.4
245.13300	3.7
245.22664	100.0
246.22935	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.8
56.05026	6.1
56.96315	2.2
56.96560	15.3
57.03415	2.3
57.17931	1.6
58.06588	1.7
60.04515	2.3
60.05641	5.3
68.01092	1.3
69.03409	2.9
69.07068	21.3
69.15653	1.3
70.02937	6.0
70.06591	24.0
71.06411	2.0
71.06727	1.6
72.08155	28.8
73.02935	2.4
73.04047	1.8
73.06544	2.2
74.06078	3.0
78.70844	1.3
84.04487	5.1
84.08144	100.0
85.02910	2.4
85.04031	6.3
86.09216	2.6
86.09707	31.1
87.05596	17.7
87.10024	1.7
88.04002	4.0
96.08140	4.2
97.02901	2.7
97.06540	1.4
98.02440	8.0
98.06059	2.1
98.97572	7.5
100.07579	2.2
101.10770	2.2
102.05534	2.5
107.04941	1.6
109.02874	1.5
110.02399	12.4
110.97599	3.1
111.01439	1.9
112.07600	5.0
112.08730	2.5
113.10792	7.4
114.06635	2.1
115.07523	2.7
115.08662	5.2
116.07066	5.8
116.98586	4.6
117.10212	2.1
117.97979	5.5
118.08605	2.7
119.01834	2.2
124.03936	5.4
128.98604	4.1
129.10260	23.4
130.08632	14.3
130.09550	2.3
132.10194	6.7
132.95821	1.6
141.10233	22.7
143.11856	1.5
146.01157	2.4
146.99593	2.7
147.11308	15.0
156.03314	34.0
158.09232	3.7
166.08653	21.1
168.03284	9.3
174.00615	15.7
174.04382	30.2
175.11954	6.9
183.11266	2.7
186.00578	1.7
186.04393	49.9
187.10789	19.8
192.01662	5.5
192.05457	4.7
200.06010	2.7
200.14073	8.2
202.10187	2.2
204.01697	5.1
204.05466	37.1
209.06111	2.2
211.11095	1.6
212.07304	2.4
212.09192	25.6
212.11127	1.4
218.06998	1.6
223.04948	1.5
228.05426	31.3
228.16969	1.5
229.11702	11.6
229.15454	5.4
241.00137	1.7
246.02788	3.0
246.06567	22.4
246.13747	1.6
246.15591	13.8
246.18137	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	245.1862
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
56.05047	0.3
57.05825	0.4
58.06597	0.3
69.07073	10.7
71.07642	0.6
74.29255	0.2
75.02740	0.2
85.02877	0.2
86.09711	100.0
87.10033	0.3
117.69548	0.2
132.10207	1.8
142.77031	0.2
195.10712	0.3
199.18036	0.5
233.03328	0.2
244.20117	0.3
245.18645	3.8
253.44197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
54.03393	1.0
55.05511	3.6
56.05034	4.7
56.96569	16.6
58.34509	1.0
58.99876	1.3
59.99922	1.1
60.04523	2.6
60.52000	1.0
61.02927	1.3
67.05486	1.8
68.05007	1.7
69.03419	2.7
69.07079	2.8
70.02946	3.1
70.06597	19.3
70.57341	3.3
71.06940	1.3
72.08167	15.3
72.35657	1.1
74.06071	2.8
81.03432	1.7
81.69126	1.2
84.04516	11.7
84.08150	84.8
85.02912	3.3
85.04047	1.1
85.08475	3.4
86.06065	2.0
86.09712	100.0
87.05567	1.7
87.10029	2.8
88.03991	6.6
89.78006	1.2
93.07076	1.5
97.02888	2.7
98.97592	10.8
101.00903	10.4
101.10774	3.2
102.05558	2.9
103.02469	1.8
110.07153	1.3
110.97581	1.9
112.08721	1.9
113.00909	1.5
115.08710	1.5
116.07104	1.6
116.98642	6.5
118.08690	2.1
119.01934	20.7
121.01651	2.1
128.98642	2.5
129.10249	89.4
130.04947	1.3
130.08673	3.3
130.10576	3.6
131.00139	2.4
131.01888	4.3
133.03458	3.2
134.04503	1.7
134.99658	3.3
137.02921	3.0
139.08675	3.3
141.10237	5.1
143.01891	7.9
143.11812	46.6
143.68460	1.3
144.12175	1.3
145.03461	4.4
146.99614	2.1
147.11320	1.8
149.01207	3.0
152.07118	1.3
155.01900	4.5
156.07733	1.6
157.03485	9.2
158.99632	1.3
159.03322	2.7
161.01416	1.9
161.02963	21.6
163.04523	1.5
167.02026	2.2
168.02412	1.9
168.11264	1.7
169.09727	5.6
171.11235	1.4
172.95229	1.3
173.03011	7.9
175.04576	6.8
175.12032	2.0
177.00781	1.9
177.06082	1.3
179.04025	1.2
180.96564	1.2
184.04507	1.2
185.02951	11.7
186.12392	17.0
187.04495	2.4
188.97086	1.5
193.00220	1.3
193.03821	2.9
194.03970	4.8
195.55286	1.4
197.02986	4.6
198.97580	6.2
199.04564	2.4
202.98706	1.3
203.02293	2.9
203.04044	9.7
204.13425	1.5
215.03999	2.1
216.62613	1.4
216.98654	6.1
217.00513	2.0
217.05658	6.8
221.03217	2.4
221.05121	4.1
221.99107	6.0
227.03998	2.4
240.00308	3.1
241.06490	1.1
245.02907	1.7
245.05132	23.6
245.11548	1.2
245.16911	1.5
246.15607	2.5
262.14114	1.7
263.06171	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
54.03393	1.0
55.05511	3.6
56.05034	4.7
56.96569	16.6
58.34509	1.0
58.99876	1.3
59.99922	1.1
60.04523	2.6
60.52000	1.0
61.02927	1.3
67.05486	1.8
68.05007	1.7
69.03419	2.7
69.07079	2.8
70.02946	3.1
70.06597	19.3
70.57341	3.3
71.06940	1.3
72.08167	15.3
72.35657	1.1
74.06071	2.8
81.03432	1.7
81.69126	1.2
84.04516	11.7
84.08150	84.8
85.02912	3.3
85.04047	1.1
85.08475	3.4
86.06065	2.0
86.09712	100.0
87.05567	1.7
87.10029	2.8
88.03991	6.6
89.78006	1.2
93.07076	1.5
97.02888	2.7
98.97592	10.8
101.00903	10.4
101.10774	3.2
102.05558	2.9
103.02469	1.8
110.07153	1.3
110.97581	1.9
112.08721	1.9
113.00909	1.5
115.08710	1.5
116.07104	1.6
116.98642	6.5
118.08690	2.1
119.01934	20.7
121.01651	2.1
128.98642	2.5
129.10249	89.4
130.04947	1.3
130.08673	3.3
130.10576	3.6
131.00139	2.4
131.01888	4.3
133.03458	3.2
134.04503	1.7
134.99658	3.3
137.02921	3.0
139.08675	3.3
141.10237	5.1
143.01891	7.9
143.11812	46.6
143.68460	1.3
144.12175	1.3
145.03461	4.4
146.99614	2.1
147.11320	1.8
149.01207	3.0
152.07118	1.3
155.01900	4.5
156.07733	1.6
157.03485	9.2
158.99632	1.3
159.03322	2.7
161.01416	1.9
161.02963	21.6
163.04523	1.5
167.02026	2.2
168.02412	1.9
168.11264	1.7
169.09727	5.6
171.11235	1.4
172.95229	1.3
173.03011	7.9
175.04576	6.8
175.12032	2.0
177.00781	1.9
177.06082	1.3
179.04025	1.2
180.96564	1.2
184.04507	1.2
185.02951	11.7
186.12392	17.0
187.04495	2.4
188.97086	1.5
193.00220	1.3
193.03821	2.9
194.03970	4.8
195.55286	1.4
197.02986	4.6
198.97580	6.2
199.04564	2.4
202.98706	1.3
203.02293	2.9
203.04044	9.7
204.13425	1.5
215.03999	2.1
216.62613	1.4
216.98654	6.1
217.00513	2.0
217.05658	6.8
221.03217	2.4
221.05121	4.1
221.99107	6.0
227.03998	2.4
240.00308	3.1
241.06490	1.1
245.02907	1.7
245.05132	23.6
245.11548	1.2
245.16911	1.5
246.15607	2.5
262.14114	1.7
263.06171	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.6
58.99854	0.3
60.95838	0.4
69.03418	0.4
71.37006	0.4
77.00899	0.3
81.03416	0.4
82.99857	0.6
83.08638	0.2
86.99315	0.5
94.39483	0.2
97.02853	0.7
98.97579	1.1
99.04455	0.2
101.00885	6.4
102.96885	1.9
102.97469	0.4
103.00661	1.3
103.02427	0.5
105.00365	0.5
105.33059	0.2
113.00857	0.9
115.02423	0.9
116.98600	0.8
119.01924	21.2
120.01995	1.8
120.97898	2.3
121.01672	5.9
121.02364	0.2
121.03491	0.3
123.48415	0.3
127.02448	0.3
127.03894	0.7
129.00304	0.3
131.01912	4.0
133.03494	1.3
134.99661	0.5
136.99670	0.6
137.02962	4.3
138.98946	1.1
139.02704	1.7
139.93745	0.3
142.03448	0.5
142.98570	0.3
143.01907	6.5
145.03461	2.9
147.01369	0.8
147.04953	0.3
149.02950	0.7
149.06642	0.5
151.04518	0.3
155.00728	0.5
155.01881	1.6
157.03482	5.1
159.04994	0.3
160.99678	1.6
161.02965	23.7
163.04535	0.6
167.01936	0.5
167.99405	0.3
169.03476	1.0
171.04967	0.3
173.02963	3.9
175.04530	4.9
175.20534	0.2
177.00940	1.6
177.02531	0.4
177.09705	0.6
178.01059	1.0
179.00706	24.7
179.03906	1.6
180.00861	0.4
184.04597	0.6
184.99562	0.4
185.02979	7.4
187.04510	1.6
189.06133	0.5
191.04010	1.5
191.99336	0.2
195.03891	0.3
197.03049	1.2
199.04524	0.8
199.11310	0.3
203.00815	1.6
203.02269	0.4
203.04010	8.0
203.11333	0.4
215.04013	1.6
217.05609	0.7
219.01964	1.5
219.03900	3.4
220.02139	0.8
221.01787	26.8
221.05156	1.5
222.01865	1.4
227.00635	1.9
227.03970	1.6
233.05045	1.2
239.98482	0.4
244.03473	0.5
244.98221	0.3
244.99112	0.4
245.01822	8.1
245.05060	12.2
245.12289	2.5
246.05142	0.3
261.03088	0.5
263.02878	100.0
264.03033	1.7
265.03290	0.5
268.03366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59316	2.2
53.03943	3.1
55.01846	2.1
58.99587	18.2
59.96728	6.8
60.97393	1.9
61.01148	11.4
67.05499	8.3
69.64030	13.1
70.06578	2.7
70.99561	3.9
73.01147	68.9
74.74715	2.0
79.05489	9.8
80.72530	2.0
85.01094	3.0
86.09699	3.4
91.05473	8.2
92.06281	2.7
97.01104	7.0
98.99029	2.6
99.02671	4.5
104.98326	21.6
105.07021	3.4
106.97913	3.3
107.04979	3.6
107.08585	2.9
110.01907	4.9
111.02673	94.6
112.03448	19.8
112.93512	2.5
113.04224	4.7
116.98270	3.0
121.01101	8.9
122.01901	15.2
123.02665	12.6
125.04208	2.6
133.10168	2.7
139.02124	8.4
139.97501	9.4
140.02924	30.9
140.98282	12.3
141.03729	3.5
142.00832	8.7
142.03215	8.1
142.99854	29.5
144.00629	39.6
150.96826	2.9
153.03767	2.5
153.99034	3.9
154.99855	51.1
156.00642	7.9
157.01437	6.0
166.99866	3.2
168.97859	2.3
170.99352	57.3
171.00810	2.9
172.00169	3.5
173.00932	100.0
180.00687	3.7
187.14774	2.2
195.02965	2.9
197.04541	19.4
198.97061	86.9
204.98129	99.5
212.98628	72.6
213.00665	4.7
224.04352	2.2
228.00975	3.9
244.26341	4.3
245.01228	45.9
245.11682	4.3
245.15465	4.3
245.18941	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	245.0062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27418	1.4
56.96570	17.6
57.03449	1.8
58.99855	2.2
61.02914	2.7
69.03416	3.9
70.02968	1.6
70.06591	11.4
70.99858	1.4
71.28035	2.8
71.95264	2.4
72.08148	3.6
72.96062	1.5
77.00905	3.3
80.47239	1.3
81.03409	1.9
82.99842	2.6
84.04494	5.6
84.08150	14.0
85.02911	3.3
85.08451	1.8
86.06067	2.7
86.09682	4.4
86.99323	3.0
88.03968	1.8
89.00847	2.1
97.02883	3.5
98.97588	11.5
101.00271	2.6
101.00894	35.8
101.03387	1.4
103.02435	3.9
104.10735	1.5
105.00365	2.9
105.23788	1.4
109.02871	2.2
112.05091	7.5
112.72203	1.4
113.00853	6.3
113.03507	1.9
113.04729	1.9
113.05399	6.8
115.02434	4.7
116.07079	2.4
116.23074	1.3
116.23856	1.3
116.98640	8.4
118.01081	1.6
119.01929	100.0
121.03451	2.8
127.02398	3.3
127.03951	1.6
128.98592	1.5
129.03969	4.4
129.10228	3.0
131.00182	1.3
131.01907	25.7
133.03468	7.9
134.99644	4.9
137.02979	11.3
139.02408	3.4
142.03500	1.6
142.96544	4.0
143.01912	20.5
145.03477	22.6
146.99696	2.7
147.01373	6.1
147.05016	3.7
149.01230	2.3
149.02937	3.6
155.01923	31.3
156.02628	1.7
157.02188	2.6
157.03474	29.7
160.97606	3.1
161.02969	32.4
163.04489	5.1
165.00650	2.5
167.01924	14.4
169.03468	5.7
170.96075	2.0
171.05040	6.9
173.02974	35.1
173.04486	2.0
174.99110	2.1
175.04532	11.0
179.01883	8.7
180.29704	1.3
185.02975	90.0
187.04564	10.0
188.97102	11.4
189.00638	1.4
190.98712	2.5
191.03986	3.7
193.00244	1.6
196.04509	1.3
197.02997	29.2
199.04538	2.7
199.33435	1.3
202.98663	2.2
203.02278	1.8
203.04025	20.6
206.98169	5.2
208.04645	1.9
215.04150	9.2
220.99640	2.5
221.05112	10.1
226.05693	1.5
227.04010	5.4
227.10338	1.7
233.05101	1.4
245.05074	48.7
245.11639	2.2
245.14862	3.1
263.06155	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	244.0934
Annotation	Cytidine
Peak:m/z	Relative Intensity
52.21173	0.4
55.01894	0.5
56.05037	0.7
56.96574	6.2
57.03432	1.2
57.56369	0.4
60.08158	0.9
61.02921	0.6
69.03424	1.0
69.04555	0.7
70.06596	5.3
70.09962	1.5
71.04963	0.5
71.95263	0.6
72.08169	3.4
73.01122	0.4
83.06094	0.5
84.02988	0.4
84.04504	1.6
84.08155	7.7
84.96046	0.7
85.02961	0.9
85.04844	0.7
86.09706	1.9
88.03999	0.8
95.02454	2.2
97.02914	1.0
98.06049	0.4
98.97605	3.8
101.00900	1.3
101.10806	0.6
102.04053	1.9
103.04114	2.6
104.03812	0.8
110.07192	0.6
110.25972	0.4
110.97575	0.4
111.05555	0.5
112.05100	100.0
112.99152	0.6
113.03514	1.1
113.05448	0.4
114.79500	0.4
116.00298	0.4
116.07095	1.6
116.98669	2.0
118.02831	0.5
119.01936	2.4
121.05159	0.6
124.95512	0.6
127.03238	2.5
129.10240	2.2
130.01733	0.4
131.00156	0.5
131.01935	0.9
134.99696	0.8
135.01344	0.5
141.04831	1.3
142.96533	0.5
143.00186	0.4
145.03568	0.7
146.99763	0.5
149.01263	2.1
150.01328	3.9
151.00874	0.8
155.01926	0.5
161.02963	1.2
163.04445	2.2
167.02182	0.7
168.02361	2.6
173.03003	0.7
173.09224	0.9
174.04424	0.6
175.04555	1.2
177.04422	0.7
177.06061	2.9
185.03009	0.8
185.07501	1.2
188.97061	2.3
193.01945	0.4
193.05457	1.0
194.07036	1.2
195.05457	0.7
195.07166	6.3
196.06516	0.5
198.04393	0.5
198.06134	0.6
202.98753	0.5
206.98172	1.2
210.96339	0.5
216.05498	0.9
221.05164	1.5
226.11823	0.5
226.32681	0.5
239.06224	1.6
244.06747	1.0
244.14748	1.8
244.16866	0.9
245.05122	1.1
262.06027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	11.4
58.99860	4.6
64.15081	3.1
69.03421	3.7
69.38290	3.0
69.66547	3.1
70.06585	13.4
71.05372	7.0
71.95251	3.7
72.08154	7.2
77.00872	4.5
81.03398	4.6
82.99830	4.0
84.04507	6.1
84.08132	15.3
86.99318	5.0
97.02887	8.7
98.97576	6.6
100.11250	3.4
100.55720	3.4
101.00272	6.6
101.00883	65.0
103.02456	3.7
104.10722	11.0
109.16161	3.0
112.05093	11.5
113.00883	13.5
113.05426	4.9
115.02416	5.0
116.07139	3.5
116.98569	4.7
119.01928	100.0
121.03440	3.6
124.07583	3.1
127.02413	5.8
129.03983	4.8
129.10210	6.1
131.01918	44.1
132.37285	2.9
133.03471	13.8
137.02948	11.4
137.86472	3.1
139.02409	7.1
143.01898	29.8
145.03470	32.7
147.01350	4.3
147.05048	3.8
149.02957	4.6
155.01903	36.2
157.03476	53.0
159.05040	3.2
161.02954	45.7
163.04575	5.5
163.59607	3.4
167.01953	17.4
169.03474	8.0
171.05008	6.8
173.02956	39.0
175.04520	18.1
179.01857	5.3
185.02951	91.3
187.04543	9.9
188.97119	4.2
197.02934	32.8
199.04446	4.2
203.03996	35.0
203.05791	4.5
215.03995	12.7
217.05748	4.2
219.27115	2.9
221.05058	17.9
227.04025	10.5
230.29218	3.3
245.05092	76.2
266.95822	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
55.01858	8.2
55.05496	8.5
55.23122	2.5
57.03429	6.6
57.07076	5.3
58.87016	2.6
59.04999	14.0
67.05485	11.1
69.03412	3.2
69.06725	3.9
69.07076	61.9
69.68408	12.4
71.04713	2.6
71.05000	31.2
73.06564	7.1
77.37658	2.9
78.37508	2.3
79.05484	19.8
81.07063	27.6
83.04979	10.9
83.08609	8.7
85.06524	3.5
91.05492	4.9
93.07037	12.8
95.04981	5.7
95.08591	28.7
97.06537	100.0
98.97609	4.8
99.04460	2.7
99.08101	4.5
105.07037	17.0
107.08610	41.5
109.06516	19.4
109.10157	44.0
111.04443	18.7
111.08092	25.5
115.07573	8.8
119.08583	14.1
121.10149	45.1
123.08081	37.4
123.11681	6.9
125.05984	7.5
125.09635	11.4
127.07525	4.8
129.09109	22.1
130.42529	2.8
131.08537	4.5
132.00494	3.0
133.10109	9.4
135.11690	5.9
137.09607	18.4
137.13286	3.6
141.09091	14.8
145.10129	4.2
147.11694	29.8
149.09631	28.8
151.07547	15.6
151.11154	8.5
153.09074	3.2
155.10712	3.5
161.13260	14.5
163.11169	13.1
165.12781	16.0
167.10677	9.9
169.08647	18.6
169.12244	92.3
179.14229	7.2
181.12196	9.8
187.09729	3.2
189.12749	13.3
207.13780	18.5
218.07004	2.7
225.14874	24.4
243.13441	4.2
243.15912	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92370	0.2
55.01878	0.4
67.05492	0.4
68.05043	0.3
69.46063	0.2
70.06594	0.6
70.31722	0.9
73.01135	0.2
77.03969	0.3
78.04718	1.1
79.05502	2.1
80.05019	1.0
81.07020	0.3
84.08135	0.7
85.01112	0.3
86.09708	0.4
87.03195	0.3
91.05463	0.9
93.05793	1.2
93.07051	0.7
94.06579	3.4
95.04986	0.4
103.05454	0.7
103.97520	0.2
104.05002	2.2
106.06568	2.7
108.08115	0.3
110.06056	0.4
116.41699	0.3
118.06551	27.7
119.07340	3.7
120.08117	18.9
120.08783	0.3
121.08961	0.3
122.06059	0.6
124.07558	0.3
134.06015	3.0
142.03212	0.8
146.06001	1.9
147.06792	3.0
148.05270	0.3
150.03673	0.6
150.05515	7.5
151.04517	0.3
152.05333	0.4
163.06302	0.3
164.07083	39.6
165.07869	100.0
166.08208	0.8
168.04947	0.2
170.08192	0.3
178.03258	0.4
183.78354	0.3
196.04294	7.1
223.94452	0.2
244.04640	2.4
244.13841	0.2
244.22791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83164	0.1
53.63115	0.1
56.96571	1.9
58.96179	0.1
62.96405	0.1
63.15712	0.1
65.78912	0.1
67.85463	0.1
71.53831	0.1
71.95264	0.3
82.99469	0.1
82.99914	0.4
84.95998	0.1
98.97590	6.6
99.97961	0.2
100.97208	0.2
100.97971	0.1
101.00889	3.6
116.98634	5.2
117.98956	0.2
118.98214	0.2
119.01930	14.0
120.02074	0.2
122.97803	0.1
133.03494	0.2
134.99704	3.4
136.99228	0.2
137.02968	3.2
140.00186	0.2
140.98875	0.3
142.03519	0.2
143.00200	0.3
148.02937	0.1
153.00859	0.6
155.00162	0.4
156.97452	0.1
158.01228	0.2
158.99892	1.8
161.01228	0.2
161.02936	0.2
165.99677	0.3
170.99680	0.2
173.01239	0.5
175.03032	0.4
177.00967	25.6
177.93378	0.1
178.01100	0.8
178.94226	0.2
179.01387	0.2
182.99825	0.7
189.00696	0.6
191.02516	0.2
193.04092	0.4
195.02116	0.5
197.00659	0.2
199.03067	0.1
200.02542	0.3
201.00887	2.1
201.02538	0.4
207.01831	0.2
209.98680	0.1
215.01762	0.2
217.04112	3.7
219.02017	29.0
219.94568	0.6
220.02147	1.9
221.02420	0.1
224.02298	0.1
225.00851	2.4
233.03467	0.3
234.00713	0.3
236.95453	0.2
237.02884	0.3
237.95613	0.3
237.98814	0.2
238.03337	0.1
242.01323	0.1
242.03552	0.6
242.96135	0.5
243.01990	10.2
244.02167	0.2
257.03412	0.2
260.04718	0.1
261.03073	100.0
262.03244	2.3
263.03503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.7
57.03431	2.8
57.07071	0.9
58.99590	10.3
59.96746	1.6
61.01156	41.7
62.99076	0.8
63.40172	0.7
63.94440	2.9
67.05515	5.7
69.07067	2.9
70.06590	2.4
70.99578	4.9
71.04990	1.0
71.17074	1.7
72.00362	1.7
73.01151	17.3
77.95997	1.0
79.05492	3.3
81.07069	14.8
83.08626	13.4
84.08168	1.5
85.01125	4.2
85.06549	0.9
86.09717	1.4
87.02706	1.3
89.04285	1.0
91.05482	1.9
93.07047	0.8
95.08604	2.4
97.06537	0.8
99.02717	4.0
99.35390	0.7
101.04263	1.4
103.97539	1.6
104.98325	100.0
105.07015	1.5
105.99115	8.5
106.99880	2.9
107.08617	1.4
109.10181	1.0
110.07198	0.8
110.93961	90.7
111.02694	1.1
112.03465	2.8
113.04246	14.8
114.04996	3.5
115.05800	8.1
116.98328	6.7
117.06947	0.7
118.99879	24.0
119.00727	1.2
119.08556	0.8
121.10136	0.8
123.11701	1.5
128.93195	0.7
129.07021	1.1
133.10150	2.1
136.95528	1.4
140.01765	0.8
145.01401	6.6
146.02209	3.2
151.11182	0.9
159.11717	2.0
168.98129	26.0
173.13252	0.8
179.00215	3.4
187.14859	1.0
201.12837	0.8
243.10165	1.2
243.13728	1.0
243.15952	3.4
243.21158	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.8
56.19439	0.6
56.96560	0.8
57.03439	1.5
58.99589	8.8
59.96739	1.9
61.01154	39.7
63.94416	3.1
67.05505	1.4
69.07067	1.9
69.33743	0.7
70.06595	1.6
70.26301	0.6
70.99571	4.1
71.55796	0.6
72.00355	1.6
73.01146	17.9
75.02724	0.6
77.96000	1.2
79.05509	2.8
81.07059	4.3
83.08622	13.1
84.04516	0.8
84.08133	0.9
85.01124	3.3
86.09740	0.9
87.02692	1.3
89.04263	1.4
91.05505	1.4
93.07048	0.8
95.08601	1.1
95.32973	0.7
97.06551	0.7
99.02686	4.5
102.96772	1.4
104.98323	100.0
105.07023	1.2
105.99115	10.4
106.99910	3.1
110.93957	93.2
111.02660	1.8
112.03439	2.6
113.04237	19.2
114.04992	3.9
115.03814	0.7
115.05816	8.0
116.98312	7.9
118.99873	22.8
129.10196	0.7
130.99834	1.0
133.10146	1.4
136.95490	2.4
140.01622	1.3
145.01408	5.9
145.10124	1.1
146.02194	1.4
159.84645	0.7
168.98126	25.9
173.13358	0.7
177.26843	0.6
179.00188	3.4
179.14310	0.8
183.11591	0.7
184.60991	0.8
187.14748	1.2
196.96124	1.4
219.96652	0.7
241.69363	0.7
243.10149	1.4
243.13727	1.5
243.17340	0.9
243.21095	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05518	3.6
57.07093	1.1
58.06599	1.2
58.99593	18.4
59.96727	0.8
61.01163	4.7
62.99089	5.4
65.03944	1.3
67.05515	2.6
69.07074	12.7
70.99578	1.9
71.16579	1.6
73.01151	4.8
74.09715	0.8
78.96770	1.7
79.05498	7.2
80.06280	0.8
81.07065	21.5
82.07836	1.4
83.04996	1.0
83.08627	4.9
84.08171	0.7
85.01145	1.4
85.06549	4.3
86.09676	0.7
87.02696	2.3
91.02185	1.5
95.04989	1.0
97.01109	1.2
97.06532	1.7
99.02695	11.7
99.08107	2.1
100.11277	4.9
101.04251	10.4
104.98314	1.7
105.07040	0.8
110.93980	4.6
111.02679	3.0
112.03464	7.1
113.04243	52.2
114.05032	5.7
115.05801	100.0
116.06168	0.8
117.03722	1.5
129.03725	4.5
130.04489	7.9
130.15942	1.4
131.05284	19.9
133.01433	9.0
136.02126	0.7
136.95551	0.6
142.15929	11.1
142.99808	0.7
143.16275	1.5
145.01465	4.1
147.02988	1.3
161.04567	1.0
163.02487	11.4
164.03244	5.5
169.10173	0.7
183.11713	0.8
184.20602	1.5
186.22217	3.0
194.99701	13.3
195.91437	2.2
197.13403	0.7
242.28447	26.5
242.90948	2.1
243.00052	10.2
243.13855	1.0
243.17567	1.0
243.21161	1.0
243.28738	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	243.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28783	0.7
53.90382	0.7
55.05509	1.2
55.38102	0.7
56.05028	0.8
57.03420	1.5
57.07080	2.4
57.20415	0.7
57.82938	0.7
58.99588	3.8
61.01149	1.0
62.99074	0.8
67.05504	1.4
69.07055	0.9
70.99581	100.0
71.55589	1.0
72.00362	36.5
73.00728	1.6
73.01142	24.1
73.01532	1.6
78.96756	1.1
81.07038	1.0
87.02706	2.5
88.07632	19.8
89.07974	1.2
91.02185	13.7
92.02983	3.7
95.08603	1.4
97.06549	0.8
100.11266	1.3
102.96752	10.9
104.98325	3.5
111.02698	0.9
111.55276	0.9
113.04235	2.5
115.05791	1.4
116.98320	2.4
117.99089	17.5
119.08577	1.1
135.94737	0.8
136.00142	1.1
136.62512	0.8
142.15971	2.3
150.97060	11.0
155.53806	0.8
169.10106	0.9
170.99629	4.9
242.24841	6.8
242.28427	6.2
243.00040	0.7
243.13626	0.9
243.21353	1.0
243.25305	2.2
243.28741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.05517	10.3
56.04784	0.3
56.05040	4.3
56.96559	0.2
57.03426	0.8
57.07080	5.8
58.06595	0.4
60.04257	0.3
60.04531	4.0
67.05509	11.3
69.07074	12.6
69.66693	0.4
69.67107	0.8
70.06597	2.5
71.05000	4.9
71.08643	2.7
73.01140	0.3
74.06065	0.2
79.05497	1.6
81.03434	0.3
81.07064	12.8
83.08146	0.4
83.08626	7.0
84.08144	0.8
85.06554	0.3
85.10174	0.7
88.07639	3.2
93.07034	0.6
95.08613	13.2
97.10180	2.9
99.08124	0.2
100.11272	0.3
104.98326	0.2
109.10169	4.7
111.11731	0.5
121.02715	0.2
123.11716	1.3
123.12444	0.2
130.15929	0.2
137.13272	0.3
142.15921	0.7
147.11665	0.2
154.99649	0.2
156.86377	0.2
157.19392	0.2
166.44328	0.2
198.22151	0.2
212.23724	0.8
224.23767	3.3
242.24805	100.0
242.28276	4.7
243.25160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01867	3.8
55.05498	15.0
57.03446	17.0
57.07064	3.3
59.05001	5.4
67.05505	15.7
69.03411	5.4
69.07057	12.1
69.47217	23.3
70.06565	4.5
71.04637	4.6
71.04990	40.0
73.01116	12.2
78.96776	3.1
79.05492	19.2
80.94678	6.8
81.03404	4.2
81.07056	48.3
83.04982	16.7
83.08595	7.5
85.02885	4.6
85.06547	20.4
91.05480	15.5
93.07038	34.3
95.04949	15.1
95.08606	81.5
97.02876	6.3
97.06516	13.8
97.10146	5.1
99.03836	6.0
99.04458	90.8
99.08070	10.5
101.00584	8.4
105.07032	75.9
107.04965	4.5
107.08593	44.3
109.06506	24.0
109.10131	12.5
109.67951	3.5
110.39037	3.5
111.04436	7.9
111.08083	24.8
113.06008	55.6
113.09672	16.5
115.03932	3.8
117.07003	10.2
119.04910	6.0
119.08556	24.4
121.01517	3.8
121.09315	5.9
121.10148	94.0
122.99361	5.0
123.08073	68.4
123.11717	5.0
125.02327	9.1
125.05984	9.6
125.09636	27.0
130.07784	9.5
133.10118	4.6
135.08006	4.5
135.11679	27.9
137.09593	11.0
139.07556	4.1
139.11198	27.9
139.89252	3.3
141.09077	12.5
143.08586	5.6
143.10652	21.3
145.10121	91.3
147.04454	6.1
147.08034	10.1
149.09639	5.9
150.98753	4.0
153.12741	9.9
159.11688	4.8
161.09583	9.1
163.11188	100.0
165.09093	5.6
167.06984	3.6
167.10722	19.0
171.10124	5.3
177.12810	7.9
181.12222	58.5
195.13737	3.7
205.12222	21.1
209.37343	3.3
223.09737	4.6
223.13245	17.3
223.16882	4.0
241.09103	4.2
241.14421	22.0
241.17894	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53125	0.3
56.41948	0.3
58.06603	16.9
69.49403	1.9
70.06589	2.8
72.08152	0.3
81.03426	0.5
84.08145	9.8
98.06070	0.5
98.09698	1.2
100.11259	0.6
104.10738	1.7
104.11316	0.3
116.07092	0.4
116.10793	0.3
128.10721	3.2
144.10190	1.3
162.35616	0.3
168.10217	1.1
196.09685	5.2
213.15921	0.4
241.15479	100.0
242.15881	1.0
245.10106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.155
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.19883	0.2
55.05511	0.3
56.96558	0.5
57.07067	0.3
58.06606	18.0
59.02166	0.2
69.98228	0.2
70.06596	2.9
70.78294	0.4
72.08160	0.5
81.03417	0.6
83.06113	0.2
84.04529	0.3
84.08149	10.3
95.09973	0.2
98.06081	0.3
98.09698	1.4
98.97568	1.0
100.11284	0.6
105.45100	0.2
110.07156	0.4
114.05548	0.4
116.07108	0.4
116.98639	0.4
117.32107	0.2
126.05455	0.5
128.10721	4.1
144.10182	1.2
158.08177	0.3
168.10199	0.6
173.01247	0.3
191.02248	0.5
196.09703	5.5
213.16020	0.5
214.03862	0.4
219.01918	0.3
237.02934	0.3
241.15488	100.0
242.15768	1.1
258.99716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.7
57.07064	2.9
58.99591	14.6
61.01152	5.5
63.99857	7.7
67.05502	2.8
69.07063	5.4
70.99583	90.1
71.55412	3.6
72.00365	54.2
73.01149	100.0
75.02707	3.3
78.96793	3.3
79.05501	11.4
81.07043	4.9
83.08639	2.5
87.02713	4.0
88.03470	2.6
89.00602	3.9
89.04278	3.0
90.01395	13.4
91.05428	3.0
92.98306	6.5
95.08603	3.9
102.96764	27.2
103.97536	19.8
104.98315	12.3
105.07077	3.2
111.02655	16.1
112.03433	5.8
113.04248	31.3
116.98309	47.8
117.07050	2.4
117.99104	16.0
130.99828	5.2
131.08559	2.6
134.99336	11.9
136.00122	20.7
136.95520	24.0
142.99863	5.1
144.00653	12.1
150.97064	6.4
167.97375	15.9
168.98123	3.5
176.98619	2.7
187.61975	2.2
240.98347	13.3
241.15889	3.4
241.19589	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	240.9846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.2
56.21176	1.2
57.07083	20.9
58.06598	3.4
58.99586	6.9
61.01155	8.4
66.92269	1.3
67.05499	5.3
69.07064	4.9
70.99568	4.5
71.08642	12.4
71.12733	1.6
71.13061	2.2
72.00349	4.9
73.01149	10.8
74.64040	1.5
75.02697	1.8
79.05499	13.0
81.07052	5.5
83.08604	6.3
85.01123	2.8
85.10179	7.8
87.02703	2.4
95.08613	10.2
97.01149	8.0
97.06541	2.1
97.10205	1.9
99.02679	4.0
101.04244	1.9
102.96783	1.9
104.98317	14.9
105.07056	2.6
107.08588	1.4
109.10162	6.9
110.93960	4.9
111.02663	11.7
112.03450	14.7
112.57066	1.3
113.04235	27.7
116.98299	2.7
121.06530	1.3
123.11679	1.2
129.03722	3.3
134.99373	1.4
142.99864	12.8
143.08588	2.4
144.00644	36.2
145.10143	2.1
157.06451	1.5
157.10141	2.4
159.11726	2.2
159.94107	1.3
168.98178	2.5
171.11665	2.8
183.17390	6.9
185.13269	1.9
186.20782	1.5
215.59508	1.6
226.06210	1.7
240.23247	100.0
241.08757	1.7
241.15842	3.3
241.19554	5.7
241.23569	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	240.9845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.05509	0.4
57.07073	0.2
58.99586	2.9
65.03928	0.7
67.05508	2.2
68.06276	0.3
69.07070	2.7
70.07848	0.2
70.99572	0.2
71.02056	0.5
71.02406	0.2
71.09127	0.2
72.00346	0.4
73.01143	0.4
78.96781	0.6
79.05062	0.4
79.05499	6.1
80.06276	0.6
81.07054	0.3
83.08616	0.4
85.01134	1.9
85.06538	0.6
87.02681	0.3
93.07059	0.2
95.04984	1.7
95.08593	0.2
96.05242	0.2
96.05754	1.4
97.01112	1.5
97.06538	1.5
98.01909	0.8
99.02676	2.1
101.00606	0.4
101.04246	5.7
105.99094	0.7
110.01881	0.2
110.93961	8.6
111.02675	15.7
112.03461	7.2
113.04235	100.0
114.04573	0.7
115.02173	1.7
116.98312	2.8
125.00601	0.5
127.02153	0.8
128.02940	0.6
128.95032	0.2
128.98291	0.4
129.03711	11.2
130.04494	4.1
130.99892	1.0
142.99847	4.0
144.00638	18.4
145.01411	2.5
146.02177	0.7
157.10213	0.3
158.99335	0.4
161.00908	3.1
162.01700	0.6
174.97070	1.3
176.03296	0.2
192.98039	0.9
199.14696	0.2
230.89195	0.2
240.98462	4.5
241.15863	0.3
241.19547	0.5
261.16037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9845
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99585	9.2
62.29304	1.9
63.47456	1.9
66.05184	1.7
67.05509	7.9
69.07084	6.4
69.73306	8.9
69.73713	3.3
70.20321	2.0
71.04990	2.9
72.00376	2.2
73.01151	3.8
74.60378	2.0
78.13868	1.9
79.05505	6.6
81.07070	3.0
85.01134	7.1
87.02709	4.3
91.05474	3.0
93.07073	4.0
95.05000	3.3
97.01131	7.1
97.06557	4.1
98.01915	2.2
99.02691	22.3
101.04253	3.9
102.96755	6.3
103.97562	14.7
104.76421	2.0
104.98339	2.0
109.83648	2.3
110.93967	18.1
111.02676	100.0
112.03459	70.8
113.04243	35.2
120.08107	2.4
128.98309	7.3
129.03725	3.7
130.99857	18.1
142.99860	74.0
144.00645	71.4
145.01439	5.3
146.99352	5.8
160.00076	4.1
160.03795	3.1
161.00914	56.6
162.01706	8.3
174.97066	7.9
185.04849	2.1
185.13271	2.4
192.98143	8.1
228.84103	2.0
235.19147	2.2
240.98450	7.3
241.15935	4.9
241.19569	10.3
241.21645	2.7
256.94342	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.3
55.05515	21.2
57.07079	100.0
59.05008	1.0
65.03942	1.5
67.05508	50.4
69.07070	26.6
70.06604	0.6
70.07073	3.0
71.04999	1.2
71.08635	65.2
75.22100	0.6
76.10104	0.6
79.05494	4.2
81.07062	54.4
83.08624	29.8
85.06548	4.3
85.10185	29.8
89.06040	3.3
91.05505	1.7
93.07073	2.7
95.04989	0.8
95.08611	75.0
97.10172	14.3
97.10760	0.7
99.04464	4.1
99.08112	2.6
99.11764	1.2
104.98338	0.7
105.07045	1.2
109.06538	0.6
109.10162	27.2
109.75752	0.6
109.98144	0.7
111.11749	2.5
116.28029	0.6
119.08593	1.3
123.11703	8.2
133.08626	1.4
137.13306	2.2
137.45416	0.6
151.14903	1.1
155.08640	0.8
169.10252	1.6
181.10216	0.8
182.07474	0.7
183.11761	1.2
197.13390	1.2
221.22533	0.9
237.50861	0.7
239.08888	4.5
239.11029	0.8
239.14389	1.6
239.18187	3.7
239.23788	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05508	0.6
57.07083	0.4
58.99591	4.2
59.96711	0.3
61.01159	1.6
63.00726	0.9
65.03937	0.5
67.05506	2.5
68.06277	0.6
69.07064	2.6
70.99583	0.4
71.54795	0.3
72.00349	0.7
73.01141	2.1
75.00721	0.7
75.02718	1.5
77.02283	0.5
78.96767	0.5
79.05058	0.5
79.05498	6.5
80.06281	0.4
81.07058	0.6
83.08620	0.5
85.01123	1.5
87.02700	0.7
91.05487	0.4
95.04969	1.4
96.05745	1.7
97.01122	1.5
97.06544	1.7
98.01923	0.7
99.02697	2.0
100.03481	0.3
101.00598	0.4
101.04248	5.7
101.91745	0.3
104.98328	2.3
105.99091	0.7
106.97906	4.2
110.93960	7.5
111.02673	16.2
112.03468	7.3
113.04235	100.0
114.04578	0.6
115.02145	1.9
116.98309	2.8
125.00544	0.4
127.02145	0.8
128.02933	0.5
128.98235	0.3
129.03717	11.9
129.07036	0.4
130.03577	0.5
130.04498	5.0
130.99878	1.0
134.99335	1.0
142.99861	4.4
143.08592	0.7
144.00636	18.3
145.01434	2.1
146.02249	0.7
147.02979	0.5
149.02582	0.6
158.99338	0.4
161.00922	3.3
162.01711	0.7
166.96539	0.4
167.03596	0.3
171.11728	0.5
173.13390	0.3
174.97086	1.3
185.13286	0.4
192.98103	1.1
199.14862	0.5
240.98447	4.9
241.15874	0.4
241.19649	1.4
249.96745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03930	0.8
55.05513	22.4
57.07077	100.0
60.74942	0.5
63.17252	0.4
65.03955	1.0
67.05505	46.5
69.07069	23.5
69.49484	0.5
71.05007	1.2
71.08633	59.8
71.55611	0.4
71.56049	0.8
72.04515	0.8
74.33475	0.5
79.05491	4.1
81.07058	54.0
83.08618	27.4
85.06542	3.0
85.10185	30.5
88.02242	0.6
89.06033	0.8
91.05479	1.1
93.07056	2.1
95.08610	70.3
97.06512	0.5
97.10173	11.7
99.04505	0.6
99.08086	1.5
99.57487	0.5
109.10159	25.6
111.11726	2.0
123.11714	7.0
137.13231	1.7
151.14874	0.9
221.22617	0.7
239.08817	1.5
239.14313	0.8
239.16164	0.8
239.18190	1.0
239.23621	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05504	1.8
57.07071	1.7
67.05508	2.2
69.07059	1.4
69.72846	2.9
69.73259	2.1
71.05022	1.1
79.05511	1.8
81.07069	4.1
83.04958	0.8
83.08641	1.9
83.19683	0.8
85.06538	0.9
89.06020	3.6
91.05497	2.9
93.07068	2.0
95.04997	0.8
95.08610	3.3
98.20814	0.9
99.04465	100.0
105.07056	2.1
107.08627	2.5
119.08598	3.3
121.06532	3.5
121.10138	3.5
121.25331	0.8
125.09671	1.3
131.08531	0.8
133.08601	1.5
133.10146	1.6
147.08057	11.7
149.09680	4.0
157.10103	1.0
161.09666	1.2
161.13226	1.3
165.09071	1.0
174.10423	1.1
183.11748	1.2
189.12781	17.2
192.91321	1.2
197.13376	1.5
210.92212	1.0
221.15352	3.9
239.08888	7.2
239.10956	0.9
239.14226	1.1
239.16484	12.5
241.43398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1644
Annotation	Dihydrocuspidiol
Peak:m/z	Relative Intensity
53.03943	0.8
53.86131	0.3
55.05503	1.5
57.07064	1.4
59.04996	0.7
63.12458	0.3
67.01836	0.4
67.05504	1.1
69.03432	0.9
69.07085	0.8
71.04974	0.4
71.08630	0.8
71.82950	0.3
79.05497	2.1
81.07054	2.0
83.04987	0.8
83.08619	0.7
85.06547	0.7
89.06042	1.2
91.05486	1.6
93.07051	2.3
95.04969	0.7
95.08608	1.5
99.04462	100.0
100.04732	0.4
105.07031	2.8
106.80912	0.4
107.08591	2.0
109.06503	0.4
109.10164	0.7
113.09666	0.3
119.08587	2.1
121.06505	4.0
121.10156	3.4
123.11764	0.5
125.09648	0.4
132.79897	0.3
133.06517	5.9
133.07553	0.6
133.08565	0.5
133.10153	0.9
135.08099	0.5
137.62521	0.3
141.07027	0.4
145.06548	0.4
145.10146	0.5
146.07249	0.4
147.08057	12.0
149.09627	3.5
156.09355	0.8
157.07755	0.3
158.03671	0.3
158.57495	0.4
160.08897	0.8
161.09648	1.0
161.13313	0.7
169.10188	0.3
171.11664	0.5
174.10503	1.0
182.10716	0.4
183.11676	0.6
189.12761	14.4
191.14281	0.6
197.13336	0.8
209.13229	0.4
217.14070	0.4
221.15384	3.7
232.71457	0.4
239.08998	2.5
239.14253	2.0
239.16283	9.0
239.23859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84542	0.8
53.03953	0.9
55.05523	1.8
57.07079	2.2
63.30750	0.8
67.05489	2.2
69.03431	1.0
69.07060	2.1
69.22233	8.5
71.04993	1.0
71.08641	0.8
79.05494	1.7
81.07070	4.3
85.06541	1.3
88.71053	0.7
89.06045	3.2
91.05488	1.7
93.07053	2.7
95.08627	2.6
99.04463	100.0
105.07037	2.9
107.08607	1.8
109.10165	1.2
119.08607	2.9
121.06499	4.2
121.10156	3.1
122.78593	0.7
123.11717	1.2
124.01181	0.8
133.01190	0.7
133.08632	0.9
135.08040	0.9
144.95787	0.8
147.08058	11.1
149.09621	4.1
160.08911	1.2
161.09695	1.0
161.13310	1.5
169.10181	1.6
171.11696	0.8
174.10497	1.0
174.96918	0.8
181.10051	0.9
183.11691	1.8
189.12769	14.5
191.14380	1.0
195.11761	1.3
197.13275	2.0
210.92148	0.8
221.15436	4.4
239.08904	6.1
239.14153	0.8
239.16187	10.8
239.18449	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1642
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
52.44884	0.2
53.03930	0.5
55.05524	1.4
57.03427	0.7
57.07079	9.4
59.05000	0.4
61.75234	0.2
63.60521	0.2
67.05506	3.1
68.02633	0.2
69.03414	1.0
69.07068	0.5
71.04984	0.5
74.42677	0.2
75.02732	0.2
79.05482	1.0
81.03402	0.6
81.07057	2.8
83.04974	0.8
83.08611	0.4
85.02900	0.6
85.06535	0.5
85.10178	0.5
89.06038	0.6
91.05498	2.0
93.07040	0.5
95.04969	2.9
95.08605	1.4
98.03664	0.4
99.04380	0.3
99.08048	0.3
105.07011	1.1
107.08602	0.3
108.05762	1.9
109.06501	0.5
109.10146	0.9
111.04449	1.2
111.17462	0.2
113.06036	1.3
119.04942	0.2
119.08574	0.5
121.06512	0.3
121.10181	0.5
123.08065	2.5
123.11735	0.5
125.02340	0.9
125.06001	5.4
126.03090	0.3
127.07572	1.3
131.08565	0.4
133.06551	0.4
133.10049	0.3
136.05214	0.8
137.06007	1.6
139.03920	2.0
139.07533	0.6
139.27820	0.3
140.04675	1.1
141.05473	8.2
147.08055	0.3
147.11702	0.6
149.05927	0.4
151.07550	9.5
153.05392	0.6
155.07031	1.4
169.08586	1.0
169.10011	0.3
170.28432	0.3
183.10178	0.6
183.11665	0.3
239.16420	100.0
240.16733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04625	0.5
51.51597	0.5
55.05503	1.4
57.07069	1.1
58.99148	0.6
58.99591	17.2
61.01157	20.8
67.05489	2.0
68.05391	0.6
69.07061	2.6
70.74503	1.6
70.99577	4.0
72.00349	0.9
73.01145	13.5
75.02695	1.1
79.05487	4.0
81.07069	2.3
83.08608	1.4
85.01135	1.8
87.02708	1.0
89.06030	1.5
93.43154	0.6
95.08613	2.2
99.04475	0.7
101.04266	1.4
102.96774	1.8
103.05816	14.1
104.98322	100.0
105.07014	0.7
106.99924	0.7
107.51485	0.5
109.10142	0.8
111.02698	0.6
113.04226	6.9
116.98305	2.4
119.97021	3.7
120.97808	2.5
138.91420	0.5
146.02205	1.7
147.02979	3.9
163.02463	0.7
169.10141	0.6
189.00706	0.5
192.91235	0.6
197.01117	0.7
217.00720	0.6
238.25334	0.6
239.05978	22.5
239.08948	4.9
239.14297	1.3
239.18040	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45670	0.4
51.88889	0.4
53.03939	0.5
53.61524	0.4
55.05505	1.0
57.07076	1.1
58.99595	5.6
59.96714	0.5
61.01155	26.5
67.05504	0.9
69.07070	2.3
70.99583	12.2
71.16240	0.4
71.16566	0.5
72.00352	1.9
73.01149	12.2
75.02697	2.4
79.05507	2.3
81.07072	2.4
83.08637	2.7
83.09058	0.5
85.01109	0.5
85.06525	0.4
87.02702	2.6
89.06028	1.3
95.04976	0.4
95.08610	1.0
99.02698	0.6
99.04458	1.7
101.04269	2.9
103.05811	100.0
104.98324	15.8
105.07058	0.4
106.99890	1.5
109.06493	0.5
109.10137	0.7
113.04249	3.9
114.05054	0.6
119.08559	0.5
147.02977	25.0
167.05611	5.4
169.10188	0.8
181.10031	0.4
183.11661	0.6
197.13181	0.5
210.92265	0.8
215.02278	0.4
216.94055	0.4
224.06551	0.4
238.25244	0.7
239.06467	0.7
239.08910	3.6
239.14427	0.6
239.18237	1.9
239.25497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31693	1.0
53.03936	2.8
53.04704	1.1
54.23264	0.9
55.05268	1.7
55.05516	27.9
56.96547	1.6
57.07064	3.6
58.99591	28.2
61.01144	3.9
62.99083	9.9
65.03947	2.0
67.05167	1.7
67.05508	18.6
69.07070	16.6
70.80716	2.2
70.81046	1.1
70.85609	1.0
71.04985	1.6
71.94587	0.9
72.46071	1.1
73.01148	21.3
75.68560	0.9
78.96790	2.2
79.05497	19.5
80.06271	1.1
81.07062	26.4
82.07834	2.5
83.08624	71.6
85.01111	2.7
85.06545	12.8
86.99061	1.1
87.02702	2.0
89.06035	1.5
91.02214	1.4
92.98363	1.0
95.04963	2.1
95.08614	4.3
96.05750	1.1
97.01129	2.5
97.06547	6.6
98.96181	1.0
99.02682	9.3
99.04452	2.0
99.08098	4.8
101.04251	59.1
104.98318	2.4
105.03391	3.4
109.10136	1.5
111.02668	10.6
112.03454	31.5
113.02267	2.6
113.04240	47.3
114.03021	2.2
114.05047	8.0
115.03805	7.8
115.05812	12.6
116.98286	2.0
117.03763	2.3
118.99840	1.1
129.03716	17.8
130.04449	1.2
131.05280	11.9
133.01407	1.9
135.98787	1.1
142.99843	2.6
143.08899	1.2
144.99435	4.6
145.01421	13.8
149.02391	1.3
155.08813	1.0
157.10452	16.6
163.02478	100.0
164.02686	1.3
167.05292	1.3
167.08401	1.1
189.07721	2.7
197.86919	1.1
211.14684	1.2
216.83458	1.0
227.29398	1.1
230.27515	1.1
239.03760	2.0
239.05940	12.5
239.08900	5.3
239.18161	2.2
255.65915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92852	0.3
55.05521	2.6
57.07069	0.4
58.99583	6.6
59.04993	0.4
59.96724	1.1
60.99174	0.5
61.01154	31.0
63.00730	1.3
67.05508	1.2
69.07058	2.0
70.44913	0.9
70.99587	2.6
71.05016	0.5
72.00352	0.6
73.01146	34.4
74.01926	4.8
75.00724	1.5
75.02709	31.7
79.05500	1.8
81.07065	2.6
82.07787	0.3
83.04967	0.4
83.08624	6.4
84.08144	0.4
84.78959	0.3
85.01120	1.5
87.00678	0.3
87.02700	3.8
89.00620	0.9
89.06038	0.4
91.02196	0.6
91.05462	0.6
93.03720	0.4
93.07055	0.5
95.08607	0.7
96.92390	0.6
97.06537	0.6
99.02686	1.3
101.02318	0.6
101.04247	6.6
103.03851	0.4
104.98322	100.0
105.07035	0.6
106.97891	4.6
106.99857	0.8
109.10169	1.0
111.02695	0.5
112.03458	0.8
113.04237	7.4
113.04962	0.6
114.03066	0.4
114.05007	1.4
115.03825	1.8
115.05772	0.5
116.98241	0.5
118.97886	0.5
118.99879	1.1
119.08597	0.5
120.99432	1.6
127.02126	0.3
133.10265	0.3
138.97050	0.7
142.99898	0.4
144.99434	0.4
147.01056	1.0
147.02977	25.3
148.03693	0.4
149.02554	0.6
149.04544	0.8
155.08569	0.4
165.04042	12.4
167.05325	0.6
181.19084	0.3
183.08125	0.4
183.11697	0.6
196.04321	0.4
197.04521	0.6
197.13229	0.4
201.52153	0.4
221.15553	0.4
226.94949	0.4
239.08939	1.5
239.18112	1.0
259.70126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29353	0.4
55.05520	3.1
57.03428	0.8
57.07067	0.5
58.99592	6.0
60.99165	0.7
61.01157	27.5
63.00721	1.4
65.38080	0.5
67.05494	0.9
69.07066	2.0
70.73990	1.1
70.74331	0.5
70.99582	2.6
72.00359	0.8
73.01147	33.9
74.01925	4.2
74.51057	0.4
75.00717	1.7
75.02710	29.4
78.96761	0.6
79.05499	1.7
80.94726	0.5
81.07059	2.5
83.08624	5.9
85.01134	1.5
87.00742	0.5
87.02695	3.6
89.06014	0.6
95.08616	0.9
96.92407	0.7
99.02678	2.0
101.02245	0.5
101.04262	6.6
104.98324	100.0
106.97917	5.2
106.99890	0.8
109.10143	0.8
110.91994	0.8
113.04235	8.3
114.05032	1.0
115.03841	1.8
115.05791	0.7
116.04626	0.7
116.98301	0.7
118.97893	0.5
118.99899	1.1
120.99460	2.7
126.38965	0.5
138.97124	0.5
145.01402	1.1
145.14375	0.5
147.01100	1.0
147.02977	26.3
149.02521	0.6
165.04056	12.5
197.04408	0.6
197.13301	0.7
239.07024	0.7
239.08990	1.8
239.18245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23211	0.4
55.01874	0.7
55.05510	4.4
57.03436	0.7
57.07049	0.6
58.99593	5.4
59.96722	1.4
60.99181	0.7
61.01154	28.6
61.21061	0.5
63.00731	1.5
67.05508	4.5
69.07076	3.4
70.52959	0.5
70.61191	0.6
70.61529	0.9
70.99590	3.0
71.05004	1.0
72.00362	0.7
73.01146	35.1
74.01937	3.7
75.00706	1.5
75.02708	31.4
78.96813	0.6
79.05521	2.6
81.07061	4.1
83.04981	1.1
83.08621	7.3
84.08137	0.6
85.01134	0.8
85.06538	0.8
87.00747	0.5
87.02692	4.2
89.00616	0.8
89.06064	0.8
91.05489	1.1
93.07072	1.4
95.04961	1.2
95.08612	4.9
96.04496	0.5
96.08978	0.8
96.92413	0.5
97.04836	0.6
97.86980	0.5
99.02661	0.8
99.08091	0.7
101.04248	6.5
101.06046	1.1
103.03878	0.5
104.98321	100.0
105.07034	1.4
106.97898	5.5
106.99837	0.5
107.08582	1.3
109.10156	1.7
110.92017	0.6
111.02662	0.7
111.04436	1.2
112.03458	0.9
113.04238	8.7
114.05016	1.4
115.03825	2.8
115.05809	0.5
117.07049	0.6
118.99847	0.8
119.08574	1.3
120.99459	1.8
121.06518	0.5
121.10128	0.6
133.10118	1.3
138.97070	0.9
139.11160	0.6
147.02979	26.8
148.01852	0.6
149.02611	0.6
149.04512	0.8
157.10245	0.9
165.04045	11.6
167.05377	1.3
169.10115	0.6
180.99629	0.5
183.11668	1.0
197.13234	0.8
221.15485	0.5
227.73164	0.6
239.07323	1.8
239.09064	1.7
239.18129	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	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
56.38874	0.4
57.07078	1.1
58.99590	5.1
59.96733	0.6
61.01155	28.1
63.00719	0.4
67.05502	1.8
69.07079	1.6
70.36411	0.4
70.80006	0.9
70.99592	2.3
73.01145	33.3
74.01929	3.9
75.02708	29.8
79.05494	1.4
81.07061	2.4
83.04987	0.4
83.08624	4.8
84.08125	0.4
85.02905	1.0
85.06544	1.0
87.02708	3.6
89.06024	0.4
90.64705	0.4
91.02223	0.4
91.05456	0.4
92.02947	0.5
93.07052	0.5
95.08609	2.4
96.92397	0.8
98.20867	0.5
98.81626	0.4
99.02682	0.7
101.04252	5.9
104.98321	100.0
106.97896	0.9
106.99833	0.4
113.04228	4.6
113.09731	0.6
114.05067	0.7
119.08648	0.6
122.44231	0.4
123.08120	0.8
141.09128	4.7
147.02980	27.2
147.09294	0.4
148.03722	0.7
149.04575	1.1
149.34503	0.4
161.64207	0.4
165.04048	11.7
183.11714	0.8
190.05061	0.4
200.07068	0.4
204.05405	0.4
237.39401	0.4
239.07425	1.2
239.18021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00330	0.3
55.05260	0.4
55.05516	4.0
57.03418	0.4
57.07084	0.4
58.99594	6.8
59.96724	1.1
60.99182	0.7
61.01158	32.8
63.00733	1.3
63.94395	0.3
67.05510	1.8
69.07075	2.8
70.06582	0.5
70.99593	2.9
71.04995	0.7
72.00367	0.5
73.01150	36.1
74.01524	0.7
74.01926	3.6
75.00730	2.0
75.02712	30.7
78.96799	0.5
79.05506	2.9
81.07065	3.7
81.64108	0.3
83.08631	7.0
85.01138	1.6
87.00705	0.7
87.02205	0.6
87.02701	5.1
89.00632	0.8
89.02329	0.3
89.06047	0.4
91.02204	0.6
91.05497	1.1
92.02969	0.4
93.03745	0.3
93.07059	0.8
95.05005	0.7
95.08599	2.0
96.04553	0.5
96.92427	0.5
97.04829	0.6
97.06536	0.4
99.02693	2.1
101.02290	0.8
101.04252	7.6
102.96768	0.6
104.98327	100.0
105.07049	0.6
106.97900	7.4
106.99901	0.5
107.08583	0.5
109.10220	0.4
110.91977	0.6
111.02657	0.4
112.03490	1.0
113.02256	0.6
113.04245	9.9
114.03030	0.6
114.05059	2.0
114.40210	0.3
115.03807	2.4
115.05799	1.6
116.04601	0.7
117.05398	0.6
118.97883	1.0
118.99918	1.6
119.08578	0.9
120.99481	1.9
123.08045	0.3
129.07031	0.8
131.05263	0.4
131.08557	0.4
138.97029	0.9
141.06992	0.6
143.08621	0.7
145.01430	0.6
145.10152	0.5
147.01047	1.0
147.02983	25.6
148.01787	0.7
148.03810	0.5
149.02579	1.4
149.04588	1.0
155.08533	1.7
157.10175	0.5
163.14885	0.3
165.04060	13.1
166.05077	0.4
167.05426	0.7
169.10172	1.5
171.11723	1.2
176.48804	0.3
181.10281	0.3
183.11673	1.2
197.13290	1.6
211.14871	0.4
212.66472	0.3
221.15575	0.6
239.07126	0.7
239.09126	0.7
239.14388	0.4
239.18047	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	239.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37988	0.4
55.05510	0.9
57.03418	0.4
58.99593	5.2
59.96729	1.0
61.01156	27.3
63.00743	0.6
67.05505	1.3
69.07060	1.5
70.99560	2.2
73.01148	32.9
74.01922	3.5
75.02711	29.4
78.96779	0.5
79.05491	1.7
81.07062	2.2
83.04995	0.6
83.08630	5.2
85.01123	0.6
85.02917	0.4
87.02695	3.1
91.02126	0.5
95.08598	1.2
96.92446	0.6
98.21513	1.0
101.04253	6.4
102.96752	0.4
104.98324	100.0
106.97899	1.7
106.99860	0.7
109.10173	0.5
111.02699	0.5
113.04234	6.6
114.05055	1.0
115.03786	0.9
118.99876	0.4
120.99451	0.5
125.00813	0.4
136.61351	0.5
138.97031	0.7
147.02982	25.5
148.03459	0.4
149.04538	1.2
165.04053	11.8
166.80069	0.4
179.70866	0.4
183.11674	0.5
197.04602	0.8
239.07285	1.0
239.18216	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	238.1803
Annotation	Piroctone
Peak:m/z	Relative Intensity
55.01882	0.4
55.05519	3.1
57.03444	5.0
57.07071	0.9
57.70302	0.4
67.05177	0.5
67.05511	6.9
69.07078	2.7
70.06580	0.5
71.55898	0.4
76.36938	0.4
79.05502	3.7
80.04990	0.5
81.07061	8.6
82.06577	1.3
83.04987	1.5
83.08619	1.3
84.08167	0.7
85.05305	1.3
86.66099	0.5
91.05475	2.7
93.07048	4.6
94.06542	0.4
95.08598	2.1
96.08131	1.6
98.06061	6.7
98.09731	0.5
99.04448	1.7
105.07034	2.4
107.08596	1.8
108.08106	1.0
110.09673	0.9
112.07632	0.7
113.86550	0.4
117.07033	1.5
119.08556	0.7
120.08074	0.5
121.10151	0.8
122.09662	0.5
126.09241	0.4
131.08595	2.3
133.10104	0.9
134.09598	0.7
135.11720	0.4
138.12764	1.4
148.11224	2.7
159.11685	1.6
174.12794	1.4
176.14342	1.9
182.15399	0.6
210.18558	3.6
220.16898	0.5
238.18033	100.0
239.08864	0.4
239.18260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70357	0.7
53.03934	1.0
54.12064	0.8
55.01862	2.9
55.02108	0.8
55.05500	1.6
55.20226	0.7
58.99605	0.9
61.01144	0.9
65.03945	1.0
67.05498	2.8
68.05026	3.2
69.07088	1.0
73.01140	2.1
79.05502	7.9
80.05016	2.1
81.03416	0.9
81.07039	1.7
82.06575	2.4
83.04995	3.8
83.08629	1.0
83.54291	0.8
84.04519	1.0
91.05486	1.3
93.03432	1.2
93.07008	0.9
94.06567	4.8
95.04969	2.4
95.08585	1.1
96.04496	38.0
96.08109	3.3
97.02860	1.0
101.04253	1.2
104.98308	1.4
106.06558	4.6
107.04945	5.3
108.04477	1.5
109.02871	1.5
110.06018	4.8
111.04440	2.5
112.03985	4.3
113.04265	1.1
118.06525	2.0
119.07299	0.9
120.08078	3.5
122.06042	11.1
123.04428	1.8
124.03951	1.3
124.07610	4.1
125.02342	1.1
133.02864	4.2
134.06024	6.0
135.04408	1.2
136.03954	2.1
137.02332	2.0
138.05505	3.7
139.03864	1.1
148.07550	3.4
150.05539	6.8
150.93088	0.9
151.03880	3.6
152.07053	4.1
160.03885	0.8
161.05908	0.7
164.07144	1.2
165.07854	2.8
166.05011	63.3
168.06496	1.2
169.04912	1.5
176.07124	5.6
178.05011	15.8
179.03403	6.5
181.10017	1.0
182.04445	4.0
182.44450	0.8
194.04517	2.3
196.04280	3.2
196.06056	15.0
197.04460	31.7
197.12830	0.9
202.04941	1.3
210.07538	0.8
220.05930	3.6
238.07103	100.0
238.16498	3.7
239.07352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78693	0.8
53.03939	1.2
55.01862	2.8
55.05504	0.9
56.58895	0.7
65.03937	1.7
67.05496	2.8
68.05041	4.0
69.03428	1.3
69.52541	4.8
79.05502	7.9
80.05011	1.2
81.03408	1.3
81.07041	1.5
82.02940	1.1
82.06565	2.0
82.33370	0.6
83.04986	4.4
84.04530	0.7
84.08142	1.1
85.02925	0.6
86.09748	0.7
91.05469	1.3
93.03417	1.1
93.07032	1.5
94.06576	4.5
95.04965	2.6
95.08640	1.6
95.76891	0.7
96.04496	43.7
96.08124	3.5
97.02866	0.7
98.21450	1.5
105.03368	2.0
105.07060	0.7
106.06557	6.3
107.04955	5.4
108.04513	1.5
108.08099	0.9
109.02889	1.3
110.06046	5.7
111.04456	3.1
112.03941	3.4
120.08072	3.2
122.06034	12.2
123.04412	2.5
124.03918	2.4
124.07610	5.3
125.02380	1.1
125.04710	0.8
133.02893	4.6
134.06023	8.2
135.04393	1.9
136.03926	1.4
136.07578	0.9
137.02318	2.1
138.05501	4.5
140.07002	1.1
148.07523	3.3
149.04610	0.7
150.05501	8.3
151.03914	2.5
152.07097	4.4
152.25221	0.6
154.04926	0.8
166.05011	65.1
168.06601	1.3
169.05016	1.0
169.08812	0.8
174.05469	0.8
176.07063	7.2
178.05009	15.5
179.03386	7.0
182.04483	4.0
190.55814	0.8
192.06570	1.6
194.04543	1.6
196.06059	19.5
197.04474	32.2
202.04926	1.7
210.11284	0.7
220.06006	2.2
238.07109	100.0
239.07347	1.4
253.04268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01863	3.2
55.05512	1.6
65.03944	1.4
67.05505	3.1
68.05038	4.6
68.99754	0.7
69.03429	0.8
69.07057	3.2
70.07392	2.0
71.55531	1.1
72.08158	0.8
79.05497	8.4
80.05007	1.5
81.07031	1.3
82.02933	1.0
82.06573	2.4
83.04977	5.4
84.08124	0.8
91.05502	0.9
93.03386	2.1
93.07047	0.8
94.06570	4.9
95.04965	3.3
96.04494	42.0
96.08129	2.7
98.06028	0.7
105.03425	1.1
106.06566	6.0
107.04967	4.8
108.04465	1.1
109.02866	1.9
110.06023	4.9
111.04424	2.8
112.03979	3.8
120.05352	0.7
120.08102	4.0
122.06032	11.1
123.04429	2.6
124.03954	1.7
124.07578	4.7
125.02393	1.2
125.05902	0.7
132.04431	1.0
133.02888	5.0
133.96867	0.8
134.06029	5.6
135.04417	1.8
136.03947	2.1
137.02336	2.3
138.05490	3.3
140.07076	1.1
148.07579	1.9
149.02371	1.4
149.04689	0.9
150.05524	5.7
151.03935	4.4
152.07124	4.6
154.05045	1.0
160.03891	0.9
165.29088	0.7
166.05006	62.9
168.06563	2.0
169.05026	0.9
176.07097	5.8
178.03471	0.9
178.05003	17.2
179.03394	6.2
182.04485	3.9
192.06598	2.0
194.04457	2.6
196.06059	19.4
197.04468	31.8
202.05034	1.3
210.07574	1.3
220.06065	3.0
238.07109	100.0
238.17992	1.8
244.50945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	Placidene D
Peak:m/z	Relative Intensity
55.01873	1.1
55.05513	5.4
57.07093	0.5
58.99583	1.3
61.01157	1.5
62.99079	0.5
65.03968	0.4
67.01860	0.4
67.05503	2.2
68.02631	0.2
68.99800	0.9
69.03435	1.0
69.07073	2.1
69.78876	1.5
71.05012	0.6
73.00820	0.3
73.01152	2.6
79.05508	1.8
81.07063	2.7
83.04990	5.3
83.08619	3.6
84.08163	0.4
85.01176	0.3
85.02929	0.6
85.06539	0.5
86.09720	0.2
87.02700	0.3
89.00618	1.0
89.61774	0.3
91.05466	0.8
93.07047	1.2
95.04980	0.9
95.08606	1.4
97.02882	0.2
97.06541	1.1
97.10156	0.6
98.20771	0.3
99.00827	0.5
99.02683	0.8
101.04254	2.8
102.96721	0.3
104.98325	3.9
105.07024	1.1
106.97875	0.3
107.04999	0.3
107.08596	1.6
108.05735	0.3
109.06543	0.9
109.10177	1.3
111.02688	0.5
111.04449	1.2
111.08139	0.6
112.03468	1.1
113.04237	3.7
113.06001	0.9
114.05046	0.6
115.05788	1.5
117.07055	0.7
118.06538	0.4
118.99870	0.3
119.08608	1.1
120.08130	0.3
121.06532	0.6
121.08448	0.6
121.10167	1.0
123.08053	0.4
124.01599	0.4
125.05999	0.8
125.09675	0.4
129.03687	0.8
131.05290	1.4
131.08575	0.5
133.10075	0.2
135.08028	0.4
135.11708	0.7
137.06000	0.4
137.09601	0.4
139.03909	100.0
140.04216	0.6
145.01421	1.0
145.06522	0.2
145.10126	0.6
147.02989	0.6
147.07961	0.3
149.13254	0.3
151.07501	0.4
153.09116	0.8
155.07010	0.6
155.08943	0.4
159.11722	0.4
161.13220	0.3
163.02487	3.4
163.07591	0.3
163.11212	0.5
165.07961	0.4
166.05049	0.4
167.07056	3.6
173.09747	0.2
177.12752	0.8
179.10704	1.3
181.08640	0.5
181.10103	0.2
193.08675	0.4
195.13734	0.7
196.04265	1.5
219.06581	0.3
219.10153	0.3
219.13794	1.1
219.17514	0.3
219.21158	0.3
237.04262	0.4
237.14845	30.6
237.22083	0.8
238.06963	0.6
238.15254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
53.39083	1.3
55.05269	1.5
55.05515	25.2
57.07061	1.7
58.99593	15.5
59.02043	1.2
59.96736	1.4
61.00838	2.6
61.01152	46.8
65.03924	2.2
67.05496	4.4
69.07066	11.7
70.26849	1.2
70.74673	1.4
70.75005	3.0
70.99565	4.4
72.00349	1.5
73.01144	64.1
74.01934	1.7
75.02730	1.6
79.05486	13.0
80.01974	1.1
80.06265	1.5
81.07054	11.7
83.04961	1.2
83.08626	27.8
85.01134	12.4
87.02689	6.3
89.00617	12.8
90.01383	1.2
95.04971	1.5
97.01121	3.2
99.02686	20.6
101.04240	6.9
102.96799	1.4
103.97532	1.8
104.98319	100.0
108.92396	9.2
109.06490	1.3
111.02684	5.8
112.03435	10.2
113.04235	59.1
114.05023	21.3
115.05812	15.4
116.98307	13.5
118.99866	33.1
129.03606	1.1
131.05255	2.4
136.95470	2.2
142.99864	2.1
145.01411	14.8
145.53569	1.3
146.02194	7.4
147.02983	18.3
149.02365	4.4
163.02438	3.3
176.02672	1.4
179.00191	5.0
193.04973	4.4
227.64119	1.4
237.02351	3.4
237.04553	1.7
237.07613	3.7
237.14789	5.8
244.22675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.9
57.03439	6.7
57.07071	10.5
58.99600	19.1
61.01156	41.9
67.05496	11.0
69.07059	12.5
69.89035	14.4
70.99582	5.8
72.00334	4.1
73.01144	22.4
79.05475	14.6
81.03387	3.8
81.07047	13.0
83.04990	7.6
83.08613	11.4
85.01167	4.5
87.02708	6.0
89.00600	5.4
93.07040	5.6
95.04970	4.6
95.08598	9.6
97.06520	4.9
98.56326	3.6
99.02668	5.8
101.04232	9.6
103.05795	5.6
104.98327	100.0
107.08611	5.6
109.10141	5.2
109.43003	4.1
111.02665	7.9
111.08036	5.5
112.03458	11.7
112.22688	3.5
113.04227	28.0
116.98302	8.9
121.02892	4.7
121.10154	6.9
125.04320	4.7
131.05324	5.9
141.67278	3.8
142.99821	4.2
145.01328	6.1
147.02965	14.5
149.02353	18.5
163.02454	11.7
175.07333	3.9
192.06651	4.8
193.04956	9.6
201.71750	3.5
237.04276	11.1
237.07591	13.7
237.12785	6.5
237.22089	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	237.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
56.96564	0.5
57.03434	0.6
57.07058	0.6
58.88084	0.4
58.99588	6.8
61.01162	3.0
65.03949	1.2
67.05520	3.2
69.07076	13.2
69.23418	5.0
70.99592	0.6
72.10680	0.5
73.01149	7.3
79.05489	3.4
81.07067	2.1
83.04991	0.9
83.08627	1.9
85.01138	100.0
85.06537	0.9
85.94724	0.5
86.01450	0.5
87.08125	0.5
91.05507	0.8
93.07064	0.9
95.04975	1.5
95.08613	1.1
96.05759	3.6
97.01131	2.3
97.06535	4.5
98.07324	0.6
99.02701	4.3
101.04254	13.0
104.98326	5.1
107.08582	0.9
109.10152	0.9
110.01917	1.0
111.02673	8.3
112.03463	13.6
112.04196	1.0
113.04247	32.5
114.05045	0.6
115.02164	3.6
115.03826	0.8
115.05806	1.3
116.98357	1.0
121.10142	1.2
124.03576	0.5
125.04189	0.6
127.02176	1.2
128.03059	0.6
129.03711	8.3
130.04492	5.7
131.05290	8.0
133.01447	3.0
142.99863	84.4
144.00427	0.5
145.01408	1.8
145.10049	0.5
149.02367	0.9
157.01431	19.9
158.02214	25.2
161.00929	5.2
163.02510	6.6
188.98645	1.0
202.02776	0.5
212.50996	0.5
236.98973	8.2
237.04384	1.3
237.07591	0.9
237.14940	1.4
237.22260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01858	2.2
55.05270	1.6
55.05517	23.9
57.03438	1.5
57.07071	1.2
58.99596	12.2
59.96728	1.3
61.01156	37.4
62.84354	0.7
67.05502	3.9
69.03403	1.2
69.07077	11.3
70.06574	0.8
70.99585	4.5
71.04966	1.0
71.08646	1.0
72.00357	1.1
73.01151	45.0
74.01941	0.9
75.02702	1.7
79.05500	12.7
80.06270	2.0
81.03432	1.4
81.06635	1.3
81.07061	12.1
83.04990	5.0
83.08634	20.1
84.08146	1.7
85.01141	7.7
86.01920	0.9
87.02710	3.8
89.00628	9.9
90.01389	1.1
91.05478	1.7
93.07042	2.7
94.57332	0.8
95.04973	2.0
95.08595	3.5
96.04487	2.7
97.01105	1.4
97.06488	1.5
97.10179	1.2
99.02687	16.1
101.04253	5.7
103.97542	1.6
104.98329	78.1
105.07054	1.3
107.04945	1.1
107.08591	3.4
108.92393	6.3
109.06509	2.2
109.10139	1.9
111.02664	3.7
111.04437	1.7
111.08138	0.8
112.03438	7.3
113.04244	42.6
113.06011	1.3
114.05043	13.6
115.05810	11.6
116.98314	9.4
117.07010	1.0
118.57645	0.7
118.99876	26.8
119.08565	1.2
121.06513	1.2
121.10145	2.4
122.06061	1.4
123.04490	0.9
123.08099	1.2
125.05988	2.3
129.07088	0.8
130.99919	0.9
131.05258	1.4
133.10089	1.7
135.08070	1.2
135.11674	1.6
136.95421	1.2
139.03917	100.0
145.01434	11.4
145.10059	1.4
146.02185	3.3
147.03000	10.5
147.06842	0.9
153.09100	1.2
155.07050	1.2
159.11687	0.9
159.47153	0.9
163.02493	3.3
163.07570	1.0
163.11227	1.1
165.09102	1.3
166.05049	5.4
167.06967	4.9
177.12804	1.0
178.05075	1.2
179.00203	5.2
179.10660	0.9
192.06549	1.4
193.08629	5.1
196.04228	0.8
196.06024	1.0
197.04482	2.5
219.13780	1.4
227.79456	0.9
237.14853	31.6
237.18488	1.2
237.22162	1.9
238.07143	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	237.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05509	1.7
57.07048	1.3
57.98794	1.4
58.99593	66.2
59.05003	1.4
59.96730	1.0
61.01158	44.3
65.03936	1.9
67.05512	6.5
69.07079	9.1
70.99599	4.3
71.04945	0.9
71.08611	0.8
71.16393	1.3
72.00375	1.9
73.01144	13.1
75.02710	1.5
79.05503	7.0
80.06283	9.3
81.07055	10.3
83.04984	1.2
83.08633	1.2
84.08132	0.8
85.01138	7.0
86.99039	1.4
87.02696	8.7
89.00605	0.9
91.02163	1.0
91.05482	1.5
92.02970	4.5
92.98322	1.0
93.07030	2.0
95.04956	1.3
95.08617	5.6
97.01124	13.6
97.06551	1.4
99.02682	12.2
101.04264	2.1
102.96769	12.3
103.97524	3.4
104.98325	100.0
105.07011	1.4
107.08588	1.5
109.06507	1.1
109.10149	3.5
111.02679	30.0
112.03458	70.0
113.04272	7.7
116.98303	7.2
119.97003	3.8
120.08078	1.2
120.97808	3.0
121.10109	1.3
121.98599	5.6
129.99098	5.5
131.05151	0.9
131.08633	1.2
135.07968	0.9
135.11650	1.2
142.99821	2.5
144.00642	2.0
144.99532	1.1
145.01419	11.2
149.02390	6.4
163.02519	4.2
171.03246	1.3
177.12810	1.1
192.06506	1.3
193.05026	5.2
212.42960	0.9
219.08029	2.6
225.06996	1.0
237.04358	35.8
237.07568	4.7
237.11115	1.6
237.14691	1.7
237.18542	1.6
237.22133	3.3
238.06993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31819	0.8
53.03955	2.2
54.03345	0.8
55.05513	21.1
55.83737	1.0
57.03431	1.4
57.07096	1.5
58.99590	13.3
59.96728	1.5
61.01155	45.8
65.03951	1.1
67.05505	5.9
69.07069	9.2
69.49501	4.3
69.49906	2.3
70.99569	4.7
72.00354	1.1
73.01147	60.4
74.01911	2.2
75.02692	2.0
79.05502	12.5
81.07062	12.8
83.05009	1.2
83.08626	25.9
85.01135	9.2
85.06554	1.4
87.02699	4.4
89.00622	12.2
90.01397	1.1
91.05488	1.4
93.07049	3.1
95.04980	1.6
95.08595	3.0
97.01109	1.3
97.06548	2.9
99.02683	16.9
101.04256	9.9
102.96761	1.5
104.24583	1.0
104.98320	100.0
105.07022	1.1
107.08590	1.7
108.92390	6.9
109.10174	1.6
111.02660	4.0
112.03457	10.3
113.04237	56.4
114.05019	18.7
115.05799	18.2
116.97666	1.1
116.98330	9.7
118.99872	31.6
121.10134	1.7
131.05247	2.1
133.01407	1.6
136.95515	2.0
139.03940	2.4
145.01408	18.9
146.02214	6.3
147.02980	16.9
153.05447	1.0
163.02501	8.2
163.11157	0.9
177.12677	1.2
179.00203	5.0
195.47661	1.0
237.04396	1.7
237.14905	2.8
237.18559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31187	1.1
53.03938	1.3
53.74408	1.5
55.05513	15.4
55.14829	1.3
57.07079	2.0
57.73962	1.2
58.99594	31.9
59.04994	2.1
59.53359	1.3
61.01162	9.5
62.99084	6.4
65.03936	2.3
67.05511	11.0
69.06725	2.0
69.07072	20.1
70.73837	2.8
70.74247	2.3
70.99578	1.7
72.13019	1.1
73.01151	14.2
75.02700	2.3
77.87731	1.1
79.05501	15.0
79.05922	2.3
81.07062	10.8
83.04975	1.7
83.08138	2.3
83.08624	32.1
85.01129	5.4
85.06558	7.7
87.02701	2.5
89.00672	1.2
90.96767	1.7
91.02173	2.3
91.05487	1.8
93.07018	1.6
94.48552	1.2
95.04939	2.0
95.08587	2.2
96.05733	1.6
97.01118	5.7
97.06544	7.9
99.02687	15.4
99.08099	2.0
101.04246	43.0
102.96763	20.8
103.05798	1.4
104.98314	15.8
105.07051	2.9
106.97916	3.1
107.08615	1.8
109.10145	7.0
111.02677	17.5
112.03468	32.6
112.46676	1.4
113.04239	100.0
114.03030	3.1
114.05029	7.9
115.02152	3.0
115.03835	12.0
115.05795	9.4
116.98331	1.6
118.99868	2.9
121.10150	7.2
129.03696	14.7
130.04477	2.8
131.05280	17.8
132.06190	1.3
133.01422	2.7
142.99875	11.5
144.00644	2.5
144.99428	4.1
145.01425	11.5
147.02948	2.6
149.02385	1.6
155.08916	6.1
161.00897	6.1
162.72810	1.4
163.02483	51.3
169.28586	1.4
179.00188	3.9
185.35852	1.5
191.00220	2.5
213.94144	1.5
220.03978	1.9
237.02321	1.7
237.04384	9.6
237.14883	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
56.37386	0.6
58.99593	8.2
61.01157	30.8
69.07075	6.3
70.99589	10.4
71.09488	1.0
72.00353	1.8
73.01150	12.8
75.02704	2.8
79.05502	2.1
81.07056	1.2
83.04984	0.8
83.08648	1.8
85.01137	1.1
87.02734	3.2
89.00621	2.6
93.06953	0.8
101.04252	2.8
103.05816	100.0
104.98328	34.1
106.08887	0.7
112.03458	1.0
113.04235	4.8
114.05067	1.0
147.02989	20.8
147.04161	1.2
163.14201	0.6
165.04108	5.3
209.11736	1.0
237.04480	2.9
237.07573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.05269	1.3
55.05516	19.2
57.03445	1.2
58.99591	14.4
59.96718	1.2
61.01156	44.3
65.03947	1.2
66.81676	1.0
67.05515	4.9
69.07070	9.4
69.90723	1.8
69.91072	3.7
70.99573	2.8
72.00346	1.4
73.01147	55.2
75.02700	1.6
76.00305	0.8
79.05502	12.3
80.06271	1.2
81.06629	1.7
81.07060	13.9
81.55448	0.8
83.04981	1.7
83.08625	20.4
85.01137	11.0
87.02715	5.0
87.03142	0.9
89.00623	14.4
91.05512	1.4
91.35697	0.9
93.07024	3.0
95.04969	3.3
95.08612	2.9
96.04491	1.4
97.01146	2.1
97.06516	1.1
99.02689	16.4
101.04224	6.0
102.06390	0.9
102.96767	1.8
103.97552	1.3
104.98324	100.0
105.07042	1.5
107.08599	1.8
108.92411	8.0
109.06508	1.4
109.10171	2.5
109.12915	0.8
111.02684	5.8
111.04420	1.1
112.03452	12.0
113.04237	54.7
114.05019	16.8
115.03831	1.0
115.05802	13.7
116.98309	10.0
118.99872	27.8
121.10139	1.9
123.04406	1.3
123.06664	0.9
125.06012	1.3
128.27147	0.9
131.05280	3.9
135.11671	1.0
136.95523	1.3
139.03899	13.9
145.01427	14.4
145.10124	2.1
146.02205	3.7
147.02974	13.8
159.11739	1.0
163.02475	2.7
163.07477	1.0
165.09245	1.2
166.05011	2.2
179.00198	4.7
193.08617	2.5
196.04349	1.7
196.06050	1.1
237.02296	1.3
237.04514	1.3
237.07526	1.6
237.14578	6.5
237.18431	1.3
238.07138	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05515	24.7
58.99590	15.2
59.96716	1.8
61.01156	44.5
62.75329	0.8
65.03947	1.2
67.05532	4.3
69.06775	0.8
69.07072	9.3
69.90901	4.4
70.99582	4.5
72.00343	1.6
73.01147	62.7
74.01924	1.8
75.02701	1.4
79.05500	12.3
80.06274	1.3
81.07066	12.1
83.08625	25.2
85.01139	10.0
87.02702	5.6
89.00619	12.1
93.07049	1.5
95.04977	0.8
95.08604	1.9
97.01128	1.7
97.06544	1.8
98.01896	1.2
99.02690	22.2
101.04249	6.1
102.96747	2.6
103.97531	2.1
104.98324	100.0
107.08598	1.3
108.92400	10.6
111.02650	4.0
112.03456	10.6
113.04241	52.6
114.05022	17.2
115.05805	17.3
116.98296	10.6
118.99876	35.5
130.99860	1.1
131.05226	1.4
133.01379	0.9
136.95555	1.1
145.01427	16.5
146.02232	5.3
147.02988	14.0
149.02318	3.5
163.02539	2.2
177.12698	0.9
179.00214	4.1
193.04979	2.6
219.13756	1.7
237.02373	1.0
237.04721	0.8
237.07639	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	237.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37904	0.4
55.05509	1.0
55.32749	0.5
57.07075	0.6
57.69681	0.4
58.99586	6.9
61.01153	1.1
65.03938	1.3
66.02752	0.4
67.05510	4.5
68.06280	0.9
69.07069	7.8
69.79342	2.8
70.07849	0.9
73.00776	0.7
73.01151	8.5
79.05499	4.5
81.07062	1.0
83.08624	0.9
85.01137	1.6
85.06532	1.1
87.02769	0.4
93.07024	0.7
95.04974	2.0
95.08626	0.7
96.05751	4.0
97.01122	6.5
97.06532	3.0
98.20789	0.5
99.02683	6.8
101.04250	9.0
102.96724	0.4
104.98321	2.3
107.08620	0.7
111.02674	25.3
112.03456	39.9
113.04237	100.0
115.02158	5.4
116.98334	0.5
118.99884	0.6
121.10134	0.7
127.02143	1.7
127.25345	0.6
128.02925	0.9
129.03711	10.5
130.04491	9.3
131.05222	1.0
133.01439	1.9
142.99855	27.9
144.00607	1.5
145.01433	0.6
149.02356	1.0
161.00909	14.8
163.02592	0.6
188.25467	0.5
193.04907	0.5
237.04308	4.2
237.18639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.9894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60556	0.4
55.05508	1.5
57.07073	0.5
58.29499	0.4
58.99587	3.8
59.96732	0.4
61.01159	1.0
61.64910	0.3
62.99057	0.4
65.03949	0.4
67.05502	1.7
69.07067	5.8
69.92957	1.3
73.01142	2.7
75.02698	0.4
79.05497	1.7
81.07055	1.6
82.07840	0.5
83.08614	2.4
85.01128	100.0
89.00620	0.5
91.05475	0.4
93.07031	0.6
95.08591	0.7
96.05735	0.7
97.01109	0.9
97.06536	2.6
99.02663	1.6
101.04243	5.6
104.98316	2.0
104.98930	0.3
109.10165	0.4
110.01885	0.5
111.02666	2.8
112.03447	3.7
112.36214	0.3
113.04228	12.0
114.05057	0.4
115.03789	0.7
115.05781	0.8
116.86662	0.3
116.98328	0.5
121.10138	1.1
124.03389	0.5
125.04247	0.9
129.03705	2.4
130.04462	0.9
131.05286	4.9
142.99844	77.1
144.00110	0.5
144.99358	0.4
145.01396	1.4
149.02295	0.4
155.08920	0.4
157.01414	18.5
158.02193	25.6
161.00865	1.4
163.02454	4.7
188.98538	0.5
204.71448	0.4
207.64169	0.4
207.98932	0.4
236.98943	7.8
237.04305	0.7
237.07535	0.5
237.22061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77426	0.9
50.82703	0.9
53.03938	2.3
54.40879	1.0
55.05514	24.5
57.03432	2.1
57.07078	1.3
58.99321	1.7
58.99591	18.6
59.96744	1.6
61.01155	53.1
62.99095	1.3
65.03950	1.6
67.05511	7.3
69.07081	10.3
69.82468	5.9
70.38250	1.2
70.99575	5.9
71.04991	1.4
72.00367	1.4
73.01147	65.8
74.76734	1.2
75.02704	1.9
79.05499	13.7
80.06269	2.0
81.07066	19.8
82.07865	1.3
83.04964	1.4
83.08624	27.6
84.37798	1.0
85.01138	11.6
85.06547	2.4
87.02698	5.3
89.00630	12.4
91.05469	2.2
92.98334	1.3
93.07043	2.5
95.04986	3.6
95.08617	4.1
97.01146	1.9
97.06540	3.6
98.01942	1.4
98.20773	1.5
99.02680	23.8
101.04250	15.5
102.96758	1.4
103.97527	2.2
104.98326	100.0
105.07029	1.5
106.97917	2.2
107.08658	1.4
108.92390	9.1
109.06566	1.2
109.10172	3.5
111.02673	6.6
112.03456	17.0
113.04241	72.0
114.03041	1.8
114.05035	20.3
115.03804	6.9
115.05803	21.2
116.98299	11.5
118.99878	34.3
121.10147	2.1
129.03720	4.1
131.05272	8.5
131.08434	1.3
135.07990	1.2
136.95506	3.1
142.99875	3.3
144.99452	2.5
145.01421	16.5
146.02200	7.1
147.02997	12.4
149.02356	8.0
155.08876	1.7
158.97060	1.1
161.00867	1.1
163.02466	13.4
177.62744	1.2
179.00197	4.8
192.06662	1.2
193.05006	5.7
198.01961	1.1
219.13908	1.3
237.07599	5.7
237.18591	1.5
237.22173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
57.03431	1.4
57.07081	6.5
57.51918	0.6
58.99590	10.4
59.96707	0.8
61.01152	16.5
65.03945	1.5
67.05508	6.6
68.06286	1.1
69.07072	14.3
70.99570	2.3
71.44421	1.0
72.00359	0.8
73.01149	10.9
79.05501	7.0
81.07053	1.6
85.01128	1.4
85.06556	1.5
86.09705	1.7
87.02690	1.9
91.05491	0.8
93.07053	1.5
95.04977	2.8
95.08611	1.3
96.05750	2.9
97.01116	3.9
97.06538	7.0
98.01956	0.9
99.02683	6.6
101.04250	11.4
102.96738	1.2
103.97532	2.8
104.98318	21.7
104.99005	1.5
105.07014	0.9
107.08587	2.1
109.10148	4.0
111.02675	14.7
112.03459	18.0
113.04235	100.0
115.02132	3.7
116.98309	1.4
117.99179	0.8
118.99840	1.0
121.10184	2.3
123.04409	0.9
123.08064	1.8
127.02131	1.7
127.05799	1.9
128.02907	1.7
129.03711	15.2
130.04498	9.6
130.99878	1.0
131.05305	4.3
133.01418	2.3
136.95494	1.7
137.09619	1.7
139.05742	0.9
139.11188	0.8
141.07417	1.2
142.99847	13.6
144.00647	6.2
145.01422	1.8
158.33447	0.6
161.00932	7.6
162.01744	0.8
169.06873	2.7
170.07649	0.9
171.08418	1.5
173.04605	0.7
179.10696	3.5
201.04071	1.1
209.14954	0.7
218.05641	0.7
235.02779	7.2
235.16910	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	235.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05517	1.2
56.24805	0.4
56.96563	0.6
57.06822	0.8
57.07082	10.7
58.99593	5.2
61.01152	9.0
65.03952	0.7
67.05517	5.6
69.07073	32.9
69.98983	2.5
70.99582	1.0
73.01153	3.6
74.57726	0.6
79.05500	8.3
80.06287	0.6
81.03452	0.6
81.07045	3.2
83.08643	0.5
85.01129	1.2
85.06518	0.8
86.09721	2.2
87.02716	0.9
91.05487	3.5
93.07050	6.3
95.04985	2.5
95.08620	1.7
96.05754	1.7
97.01122	3.3
97.06528	2.1
99.02692	4.1
101.00613	0.6
101.04256	4.5
102.96719	0.9
103.97552	0.7
104.98325	15.3
105.07024	2.4
105.67287	0.5
106.03136	0.5
107.08627	2.5
108.09387	1.3
109.06520	0.9
109.10153	2.2
111.02682	15.1
112.03461	17.8
113.04237	100.0
115.02162	2.4
116.98323	1.6
117.07040	0.8
118.99874	0.7
119.08597	1.6
121.10152	3.5
123.04444	0.8
123.08115	0.8
125.04131	0.6
127.02151	1.0
129.03706	7.6
130.04536	3.9
131.05269	1.5
133.01405	0.6
133.10109	1.8
137.09680	0.6
139.05762	0.6
142.99857	13.9
144.00642	7.0
145.01428	5.8
145.10069	0.6
147.11691	0.7
151.11217	0.6
152.06480	0.7
161.00914	6.1
161.09583	0.7
169.06836	0.8
173.04582	0.5
179.10675	7.3
189.12700	0.8
193.12177	0.6
199.14656	0.6
203.10646	0.6
217.12309	1.0
217.15906	1.2
235.02811	7.1
235.05159	0.7
235.06044	0.6
235.13264	1.9
235.16924	28.0
235.20612	1.2
257.64001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05502	0.8
56.96564	0.6
57.07081	3.8
58.99593	5.5
59.40922	0.3
61.00835	0.5
61.01157	9.4
61.16755	0.3
65.03929	0.6
67.05513	3.6
69.07076	3.4
69.48641	1.8
70.99588	1.4
72.00357	0.4
72.11726	0.3
73.01148	3.3
75.72167	0.2
79.05502	6.7
80.06276	0.5
80.27155	0.3
81.07063	1.2
85.01129	1.2
85.06562	0.6
86.09708	1.1
87.02694	0.8
88.07633	0.6
91.05495	0.7
91.50046	0.3
93.07068	0.7
95.04979	1.6
95.05490	0.3
95.08607	0.7
96.05771	1.6
97.01116	3.0
97.06553	1.7
98.01888	0.6
98.21425	0.5
99.02691	4.7
101.00652	0.3
101.04251	4.9
102.96783	0.7
103.97517	0.6
104.98330	14.4
105.07036	1.1
106.99888	0.3
107.08613	0.9
109.10190	0.8
110.01855	0.3
111.02679	14.6
112.02669	0.6
112.03465	18.4
113.04240	100.0
114.04554	0.6
115.02161	2.8
116.98322	0.8
117.99078	0.4
118.99867	0.8
119.08579	0.7
121.10159	1.4
127.02169	0.5
128.95383	0.3
129.03722	5.6
130.04512	4.1
131.05283	0.7
131.08565	0.3
133.01408	1.2
133.10161	0.5
136.95544	0.4
137.09500	0.3
139.05782	0.6
142.99863	14.8
144.00650	6.8
144.01555	0.2
145.01402	1.0
147.08067	0.4
147.11705	0.6
161.00914	6.5
161.13300	0.3
169.06931	0.4
175.07640	0.3
179.10678	1.9
187.18887	1.5
189.16403	0.3
217.12393	0.3
217.19522	0.4
235.02812	8.5
235.16960	8.2
235.20773	2.9
236.03081	0.3
239.34222	0.3
241.89716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
57.07080	2.1
58.99322	0.5
58.99590	5.6
61.01155	8.4
65.03951	0.7
67.05508	2.9
69.07069	2.9
70.61264	0.9
70.99575	1.1
72.00348	0.3
73.01146	2.8
77.03909	0.5
79.05495	5.2
80.06281	0.4
81.07064	0.5
85.01132	1.0
85.06557	0.4
87.02724	0.6
91.05484	0.4
93.07058	0.7
95.04982	1.6
95.08611	0.6
96.05741	1.9
97.01102	2.8
97.06534	1.3
98.01872	0.4
98.21532	0.3
99.02695	4.0
101.04244	5.7
103.97526	0.6
104.98320	11.9
107.08585	0.6
109.10161	0.7
110.16742	0.3
111.02677	14.8
112.03452	18.8
113.04234	100.0
114.04563	0.4
115.02158	2.5
116.98304	0.6
118.99855	0.9
121.10156	1.1
125.04258	0.6
127.02176	0.4
127.05802	0.4
129.03717	7.9
130.04503	5.5
131.05255	1.0
133.01431	0.8
136.95491	0.4
139.05710	0.4
142.99849	14.9
143.08632	0.3
144.00638	7.7
145.01456	0.7
151.02307	0.3
152.06589	0.4
153.07170	0.4
161.00906	7.1
176.84534	0.3
179.10684	1.4
185.04623	0.4
201.03990	0.4
235.02792	4.0
235.16861	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	235.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05516	0.3
56.05038	0.6
56.96573	0.4
57.07085	3.0
58.06604	0.3
58.99593	4.7
61.01159	7.1
65.03922	0.7
67.05510	2.9
69.07074	4.1
69.45661	0.2
70.63023	0.7
70.99571	0.6
71.08615	0.3
72.00356	0.5
73.01154	2.5
76.88008	0.2
79.05496	5.7
80.06274	0.5
81.07055	0.8
83.17039	0.2
85.01142	1.2
85.06541	0.5
86.09695	0.4
87.02705	0.4
88.07640	1.3
88.90486	0.3
89.07956	0.4
89.27003	0.2
91.05530	0.3
93.07040	0.7
95.04983	1.1
95.08650	0.2
96.05761	1.3
97.01115	3.2
97.06535	0.6
98.01891	0.4
99.02688	4.3
101.00603	0.4
101.04244	3.8
101.51353	0.2
103.97511	0.3
104.98325	9.4
105.07050	0.7
107.08588	0.5
108.09434	0.2
109.10203	0.3
111.02676	15.7
112.03459	18.5
113.04237	100.0
114.04583	0.8
115.02148	2.1
116.98311	0.6
118.99898	0.5
119.08552	0.5
121.06564	0.3
121.10147	1.2
122.08179	0.3
122.91779	0.2
123.04443	0.3
125.04228	0.4
127.02169	0.5
129.03706	5.3
130.04504	3.1
131.05275	0.5
133.01424	0.8
136.95517	0.4
137.09679	0.3
139.50093	0.2
142.99857	14.9
144.00638	7.1
145.01405	0.8
152.06548	0.4
159.21469	0.2
160.99573	0.4
161.00925	6.6
170.01425	0.2
179.10686	1.2
186.18501	0.6
187.18849	2.5
218.37076	0.3
234.20764	0.9
235.02794	3.5
235.13292	0.3
235.16962	5.9
235.20897	4.3
256.79318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05507	0.5
57.07076	2.2
58.99586	6.1
61.01155	7.4
65.03947	0.7
67.05512	3.5
69.07070	4.9
70.73148	0.8
70.99567	1.4
72.00360	0.5
73.01144	3.2
74.83545	0.2
79.05495	5.7
80.06261	0.7
81.07058	0.5
85.01128	1.1
85.06551	0.6
86.09691	0.3
86.81077	0.3
87.02681	0.5
90.22843	0.3
91.05477	0.3
93.07032	0.4
95.04960	1.3
96.05760	1.8
97.01105	3.1
97.06548	1.4
98.01894	0.4
99.02679	4.3
101.04247	4.6
102.96770	0.4
103.97513	0.4
104.98320	12.5
105.07047	0.5
109.10143	0.6
111.02669	15.8
112.03457	18.4
113.04232	100.0
114.04563	1.0
115.02154	3.2
116.98306	0.8
118.99895	0.5
119.08578	0.3
121.10151	1.2
125.04248	0.5
127.02132	0.8
128.02931	0.3
129.03705	7.5
130.04501	4.5
130.67424	0.3
130.99915	0.4
131.05241	1.2
133.01408	1.1
136.95471	0.5
137.09654	0.4
139.05765	0.5
141.07329	0.4
142.99850	17.4
144.00641	6.7
145.01407	0.9
152.06566	0.5
157.92906	0.3
161.00911	7.5
169.06828	0.4
179.10707	1.6
185.04593	0.3
201.04086	0.4
223.33504	0.3
235.02827	3.8
235.16907	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	235.028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67049	0.3
55.01874	0.3
55.05516	0.8
55.31887	0.3
56.96571	0.4
57.03441	0.4
57.07078	5.3
57.07338	0.4
58.99589	7.4
58.99872	0.6
60.78984	0.3
61.01155	11.2
63.59760	0.3
65.03949	1.0
65.46125	0.3
65.68901	0.3
65.70297	0.3
66.18848	0.3
67.05508	5.7
68.06290	0.5
69.07073	6.8
70.07862	0.4
70.99583	1.0
72.00359	1.0
73.01148	5.9
74.01920	0.4
74.73827	0.4
79.05498	6.7
79.26736	0.3
80.06278	0.4
81.07075	0.9
84.16515	0.3
85.01152	1.8
85.06551	0.9
86.09702	0.7
87.02705	1.0
91.05476	1.0
93.07041	1.3
95.04994	1.8
95.08614	1.1
96.05775	2.7
97.01126	3.2
97.06539	3.5
98.01847	0.5
98.21587	0.7
99.02692	5.1
101.00636	0.3
101.04254	8.2
102.96732	0.8
103.97537	0.9
104.98323	15.9
105.04554	0.3
105.07040	0.9
107.08617	1.2
108.09405	0.4
109.02866	0.4
109.06492	0.4
109.10171	1.4
110.07153	0.4
111.02671	14.2
111.04406	0.5
112.03458	19.0
113.04237	100.0
114.04543	0.8
115.02172	3.8
116.98321	1.2
118.99889	0.7
119.08569	1.0
121.10159	1.0
123.04417	0.7
123.08059	0.8
125.04230	0.6
127.02197	0.9
127.05844	0.4
129.03711	9.5
130.04497	6.5
131.05263	1.9
131.08539	0.4
133.01431	1.8
133.10155	0.6
135.08044	0.4
136.95500	0.9
137.09653	0.8
139.05740	0.6
141.07329	0.6
142.99858	13.9
144.00644	6.4
145.01419	2.6
147.11731	0.4
151.05858	0.3
152.06592	0.6
157.10110	0.4
161.00919	7.1
162.01694	0.3
169.06961	0.5
179.10681	2.8
189.12784	0.3
201.04140	0.5
204.67889	0.4
210.97752	0.5
217.12230	0.5
217.15929	0.6
229.89656	0.4
229.91734	0.4
235.02800	6.1
235.09598	0.5
235.13269	1.2
235.16924	12.5
235.20442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03939	2.4
55.05519	8.3
55.16030	1.2
57.07076	3.2
58.99584	1.6
63.85340	1.3
67.05511	44.6
68.38509	1.2
69.03438	1.8
69.07082	12.2
71.54848	1.7
71.55218	1.1
76.80364	1.1
78.88481	1.1
79.05055	1.9
79.05495	23.8
79.37087	1.1
81.07063	71.4
83.04961	1.2
83.08615	6.1
86.04117	0.9
89.33247	1.1
91.05492	18.7
93.06473	2.1
93.07056	33.5
95.04969	5.6
95.08616	57.5
97.06497	2.0
97.10152	2.4
97.59608	1.1
101.58540	1.1
103.05498	2.5
105.07040	36.4
107.04961	4.5
107.08597	21.2
109.06559	2.1
109.10169	26.2
111.08113	1.2
115.05445	1.2
116.06263	1.5
117.07023	11.8
119.05026	1.2
119.08601	18.4
121.06512	2.6
121.10155	16.6
122.28999	1.4
123.11724	9.0
125.05993	2.8
127.02173	9.5
128.06210	1.3
129.06999	2.9
131.08582	33.8
133.06488	2.8
133.10120	10.4
135.08020	3.4
135.11725	9.8
137.05968	2.6
137.13245	4.2
139.07521	3.9
142.99863	2.7
143.08551	4.0
144.09303	1.7
145.06465	1.9
145.10136	37.5
147.11694	8.7
148.95479	4.9
149.06001	1.9
149.09607	3.3
149.13266	4.4
151.07565	3.5
155.08582	3.3
157.10149	2.5
158.10930	1.8
158.99355	1.8
159.08066	5.1
159.11713	16.8
161.13255	12.7
163.07568	4.7
163.14861	2.0
169.10104	2.9
171.11652	1.4
173.09642	4.3
173.13219	2.0
174.97040	1.9
175.97830	8.7
177.05507	3.6
177.09087	10.3
178.06253	3.5
182.10893	1.8
187.11343	2.5
187.14838	100.0
188.15157	2.0
189.16469	1.8
191.10658	4.4
191.14293	4.0
197.13226	8.7
205.15950	3.9
215.07126	1.2
215.14345	24.7
217.15958	1.4
219.47433	1.1
233.01233	4.4
233.08109	2.1
233.11761	7.0
233.15385	64.4
233.18982	18.2
233.22626	32.3
233.24921	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	235.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
53.28624	0.9
55.05501	2.6
56.46696	0.8
57.03421	1.4
57.06821	1.0
57.07079	13.5
58.99325	1.1
58.99589	15.0
61.01154	14.0
65.03947	8.8
67.05512	11.5
69.07069	13.8
70.07852	0.8
70.81364	2.3
70.99568	3.8
71.04967	0.9
72.00362	1.3
73.01147	8.8
79.05132	1.0
79.05502	11.3
81.07059	6.1
82.04356	0.9
85.01141	5.2
85.06538	1.9
86.09692	3.6
87.02663	2.7
91.05486	4.2
91.05953	0.8
93.07048	9.2
95.04971	4.1
95.08604	3.8
96.05743	4.9
97.01123	8.9
97.06532	8.2
98.01897	6.7
98.07331	0.8
99.02684	13.7
101.04251	13.3
101.86643	0.9
102.96706	1.0
103.97536	2.1
104.98324	23.9
105.07017	2.5
107.07922	0.9
107.08603	5.0
109.06528	1.2
109.10166	4.3
111.02673	17.1
111.07959	0.9
112.03463	23.5
113.00587	2.9
113.04239	100.0
114.04590	1.1
115.02158	7.2
116.98298	3.0
118.99789	0.8
119.08581	2.9
121.10161	7.0
123.04414	0.9
123.08041	1.3
125.00577	2.2
125.04221	1.4
126.01346	3.9
127.02143	8.3
127.05724	1.2
128.02934	19.3
129.03720	17.2
130.04486	9.5
130.99875	9.4
131.05280	4.8
133.01408	2.1
133.10107	2.9
135.11661	2.4
136.08784	0.9
137.04268	0.9
137.09616	2.1
139.05708	1.0
139.11183	0.9
140.98293	1.0
141.07344	1.5
141.99069	6.3
142.99855	24.9
144.00645	9.2
145.01378	3.5
147.11716	2.3
154.97076	0.7
158.99332	7.6
161.00919	7.2
169.06926	1.6
170.07619	1.1
171.08356	1.1
175.11142	1.1
175.97884	2.0
179.10664	10.3
189.12697	0.9
201.04135	1.5
212.79745	0.9
217.15849	0.9
217.19424	2.0
218.02544	6.6
235.02823	9.1
235.13264	1.3
235.16920	32.7
235.20349	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	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
52.67244	0.4
53.26971	0.4
54.42125	0.3
56.05038	16.8
56.96560	1.3
57.03434	2.8
58.06359	0.5
58.06603	3.6
69.07103	0.5
70.06587	0.5
70.71651	1.0
70.71985	0.4
72.08161	1.0
74.02486	0.4
74.06084	100.0
75.04494	0.8
84.04509	3.6
84.08160	0.5
86.09709	24.1
98.97609	0.6
101.07142	2.2
104.10796	0.7
132.10213	19.2
142.12263	0.6
143.11841	1.0
158.06090	0.4
169.13353	1.9
187.08731	0.9
187.14424	10.4
208.99747	0.6
215.13898	4.0
233.08232	0.5
233.14973	8.9
233.17157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05508	1.7
56.05040	17.9
56.96571	8.6
57.03445	3.3
58.06602	4.4
69.03429	0.6
69.07067	1.9
70.06590	0.9
70.40641	1.9
72.08158	16.5
74.06084	100.0
75.04495	0.6
76.02961	0.5
82.99854	1.0
84.04512	4.6
84.08157	2.1
85.02915	1.2
86.06083	1.1
86.09710	36.0
88.03992	1.0
98.97579	1.1
100.99163	1.9
101.00885	10.4
101.07141	2.7
102.04037	0.6
102.05586	0.5
103.02430	0.6
110.97614	1.5
115.02472	1.0
116.07117	0.6
118.08695	1.6
119.00203	1.2
119.01926	17.5
120.05093	0.5
121.97443	0.5
124.11309	0.5
126.09274	0.5
127.02424	3.5
127.08748	0.6
128.98619	1.9
130.08701	1.1
131.01984	1.1
132.10214	19.4
133.03491	4.8
136.52805	0.4
137.02943	2.4
142.12239	0.9
143.01891	7.5
143.11804	0.7
144.98134	1.6
145.03471	31.1
146.99644	2.3
151.04601	0.8
152.07170	0.8
157.03479	4.6
161.02985	11.5
162.99199	1.6
163.04521	8.7
165.00778	1.8
169.13391	1.6
172.97600	0.8
173.02943	7.0
175.04538	8.4
183.01799	0.6
187.04536	0.7
187.14426	13.0
187.16153	0.6
190.98694	2.8
191.04018	14.6
198.07637	0.8
208.99751	4.4
214.05670	0.8
215.13919	4.6
233.04823	4.3
233.11620	0.9
233.14972	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	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03947	1.7
55.01859	3.0
55.05499	3.9
56.96557	1.5
57.03417	1.0
57.07067	1.8
58.99592	1.6
59.05001	1.3
61.01131	1.3
65.03946	1.6
67.05506	6.8
69.03423	9.1
69.07055	4.4
70.06577	0.9
71.04979	3.6
73.01138	2.6
74.00699	0.9
76.02228	2.2
79.05503	10.3
81.03419	1.8
81.07069	7.9
83.04960	2.6
84.08138	1.2
85.01151	1.2
85.02905	3.3
85.06534	1.8
86.09721	5.5
87.00821	1.2
91.05487	16.2
93.07050	13.2
95.01315	1.6
95.04977	9.3
95.08620	4.7
97.06519	2.8
99.02667	1.3
99.04445	3.8
103.05459	2.9
105.07034	32.5
107.04966	10.3
107.08593	7.9
109.06512	5.5
109.10172	1.7
111.04474	2.3
111.08114	1.0
113.02382	1.3
113.05971	2.3
115.02157	1.6
115.05458	3.2
117.07032	14.6
119.04932	4.4
119.08587	14.5
120.08102	4.5
121.06509	11.3
121.10147	6.0
123.04441	1.2
123.08037	1.5
125.06033	1.2
127.03936	1.7
128.06201	3.4
129.07005	8.0
130.07796	9.6
131.04933	1.8
131.08578	17.6
133.06490	2.7
133.10152	10.9
135.08041	3.2
135.11687	1.9
137.05951	1.9
137.09602	4.2
139.07610	1.1
141.00009	1.9
141.06981	1.7
142.07776	2.4
142.99905	4.8
143.08560	6.4
144.00644	3.1
144.05714	2.1
144.09352	2.8
145.06505	7.3
145.10132	59.2
147.08052	3.7
147.11700	7.3
149.05991	2.3
149.09659	5.1
151.11171	1.0
153.06999	1.1
153.09073	1.5
154.07726	3.0
155.06070	1.1
155.08525	2.8
156.09360	1.3
157.06554	1.3
157.10182	1.3
158.07280	4.3
159.08078	5.8
159.11710	19.7
161.05898	1.7
163.07507	3.0
163.11174	31.9
169.10132	8.5
171.08081	1.1
171.11697	3.4
172.05194	1.6
172.08836	3.3
172.97250	1.8
173.09636	100.0
173.13141	7.4
174.09946	1.2
175.07504	2.1
175.11218	2.9
177.09102	2.8
179.08597	1.1
182.07277	1.1
183.04430	1.7
185.02704	1.2
187.05917	1.3
187.07556	2.4
187.11188	28.3
187.14816	3.7
189.12759	4.1
191.10632	6.7
191.14323	2.3
197.09650	3.8
200.04672	1.4
205.06422	1.1
205.12056	6.3
215.07011	3.9
215.10675	21.9
215.14101	5.2
232.99400	1.8
233.06259	1.5
233.08125	4.4
233.11691	24.7
233.15315	21.1
233.19002	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	233.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03986	0.6
53.50953	0.7
56.96572	9.0
59.82637	0.6
63.44387	0.6
70.19047	2.6
72.08161	1.3
80.27616	0.7
82.99869	2.3
93.21587	0.8
94.93017	2.9
98.97600	1.0
100.99148	2.3
101.00890	22.2
102.04055	1.6
110.97574	0.8
112.89649	1.4
114.89384	1.0
115.02445	4.5
116.98606	1.0
119.01931	50.9
126.97037	0.8
127.02428	11.4
128.98659	1.5
131.01926	2.3
133.03485	18.3
137.02968	9.4
143.01881	4.2
144.05087	1.6
144.98100	1.2
145.03476	100.0
146.03619	1.2
146.99637	2.1
147.01276	0.7
151.04529	2.8
155.01944	1.3
157.03487	14.0
161.02979	12.2
162.99178	1.2
163.04539	32.0
164.02298	0.8
164.04764	1.2
165.00729	1.7
168.05055	1.8
170.03030	1.4
171.97722	0.7
172.97562	0.8
173.02982	22.6
175.04541	31.2
176.04663	0.9
185.03008	0.9
187.04564	3.9
188.04042	2.9
190.91228	1.1
190.98631	2.5
191.04024	65.7
192.04208	1.8
203.04015	1.2
205.05556	1.2
208.99677	4.7
214.05597	1.5
215.04201	0.7
218.50319	0.7
232.92535	1.0
233.05069	24.0
234.02774	0.8
251.06117	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	233.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.0
56.05040	2.4
56.96569	33.2
69.03418	1.6
70.58724	2.7
70.59097	2.4
71.95258	1.4
72.08160	46.1
74.06080	12.7
76.25308	1.3
82.99855	2.8
84.04514	2.7
84.08139	2.6
84.96017	3.3
85.02932	2.6
86.09705	8.6
98.97576	4.9
100.99150	6.7
101.00884	29.9
103.02463	1.9
104.07129	2.0
110.97580	4.9
113.02371	2.7
115.02418	6.3
116.98666	3.4
119.00169	4.0
119.01926	57.2
127.02406	11.5
128.98586	6.9
131.01918	4.1
132.10219	2.9
133.03482	19.8
133.04396	2.2
137.02953	7.0
140.98714	1.4
143.01903	9.6
144.98094	3.9
145.03468	100.0
146.03633	1.6
146.99664	6.1
149.02969	1.3
151.04510	2.3
155.01857	1.8
157.03468	16.0
159.05096	1.3
161.02989	21.6
162.99161	5.3
163.04538	28.5
165.00703	6.3
172.97679	2.7
173.02972	22.1
173.04355	2.3
175.04541	38.2
183.01804	2.1
185.02908	1.4
187.04556	3.6
190.98650	9.4
191.04012	59.4
198.06116	1.6
203.03992	1.6
205.05612	2.3
208.99675	15.7
227.00694	1.3
233.05042	22.6
251.02519	3.0
251.06210	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
56.05026	2.1
56.96571	47.9
58.99864	0.9
61.02925	1.3
69.07077	1.1
70.98130	0.7
71.40666	0.7
71.41029	1.0
71.95259	0.8
72.08167	9.3
72.08545	1.1
72.44902	0.6
74.06089	10.1
74.97616	1.5
82.99839	3.7
84.04485	0.9
84.08142	2.6
84.96026	3.4
85.02926	1.5
86.09213	1.3
86.09715	19.4
88.04006	1.6
97.02902	1.0
97.15790	0.5
98.02451	0.6
98.97589	6.4
100.02462	0.7
100.99160	12.6
101.00885	32.8
102.04051	1.1
103.00636	1.0
103.02454	1.8
110.97594	5.7
113.00848	0.6
115.02435	4.8
116.98627	3.2
118.08654	0.7
119.00208	5.9
119.01929	58.8
120.01950	0.9
121.01690	1.5
126.97036	1.6
127.02407	12.3
128.02354	0.7
128.98625	10.0
130.08673	0.7
131.01907	3.9
132.10240	2.8
133.03479	18.3
134.99655	1.0
137.02979	8.4
142.03502	1.3
143.00172	1.0
143.01901	14.7
144.05083	1.2
144.98114	7.2
145.03473	100.0
146.03577	1.9
146.99669	8.4
147.05002	0.7
149.01195	0.9
151.04520	2.3
152.07062	1.3
153.07310	0.6
155.01894	1.9
157.03476	15.8
158.99619	0.7
159.03314	0.7
159.05011	1.5
161.02968	28.2
162.99158	7.6
163.03122	0.9
163.04538	26.0
165.00731	7.1
166.03810	1.2
168.05113	2.3
170.02979	1.0
172.97606	3.1
173.02977	22.0
175.04538	28.2
177.00732	1.1
183.01744	3.0
184.04501	0.7
185.03017	1.8
186.99098	0.8
187.02951	0.7
187.04501	2.8
187.14458	1.6
188.02472	0.7
188.04073	2.2
189.00723	1.5
190.98668	12.3
191.02390	2.5
191.04021	56.8
192.04205	1.3
198.06055	1.3
201.00777	0.7
203.04047	2.0
205.03897	0.7
205.05585	2.4
207.01741	1.2
208.99713	18.8
209.05179	0.9
209.98659	0.6
210.04303	0.6
214.05620	1.7
215.04054	1.4
227.00778	2.5
232.01353	0.9
233.05089	21.7
233.07686	1.0
233.12082	0.8
233.15001	1.6
251.06296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03940	0.4
55.05517	10.5
57.05819	0.9
70.07138	1.0
72.08162	100.0
73.08514	0.2
73.11342	0.3
86.09714	5.0
86.63676	0.2
87.96675	0.2
94.84161	0.2
98.21460	0.2
106.31565	0.2
127.87745	0.2
132.10213	3.7
148.13736	0.2
184.38736	0.2
185.16588	0.9
207.05260	0.2
213.65205	0.2
231.17082	3.1
249.62354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1545
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
56.63245	0.2
56.96574	0.5
57.03444	1.4
58.06603	0.4
58.14279	0.2
60.08169	7.4
61.62740	0.2
64.76151	0.2
66.34058	0.2
69.07065	0.3
70.06587	1.0
71.05008	0.8
71.12334	0.6
72.08166	1.3
73.08498	0.5
74.06096	0.4
76.44853	0.2
82.58720	0.2
84.04520	0.4
84.08136	1.3
85.02911	100.0
86.03200	0.3
86.09721	2.7
87.10031	1.8
112.08733	0.2
117.57672	0.2
144.10197	2.1
161.70680	0.3
173.08112	10.0
183.74525	0.3
186.11272	0.8
232.15463	22.4
233.15858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	9.1
56.96571	68.1
57.43475	6.6
60.08172	5.6
60.67071	6.0
61.02934	10.2
61.40012	6.9
69.54155	5.5
70.06599	37.5
70.38322	14.5
71.06937	8.3
72.08171	31.4
74.06089	16.5
74.97585	8.5
81.07458	6.3
84.04494	20.9
84.08155	34.2
84.96011	12.9
85.02899	8.7
86.09714	100.0
88.79074	7.4
93.44652	6.5
98.97588	28.6
101.00883	21.5
102.05542	7.5
103.00655	33.9
103.02483	9.5
110.97598	7.0
112.99123	16.0
116.07082	8.7
116.98631	20.4
119.01941	53.3
120.01942	7.2
121.01663	84.4
121.02406	6.2
125.72235	5.9
131.00185	14.3
131.01883	12.3
133.01691	11.9
133.03476	29.6
134.99677	9.6
135.03215	8.2
139.02701	20.7
140.07054	11.0
142.08655	9.5
145.03499	19.5
146.99635	15.1
149.01201	8.4
151.04520	8.3
155.37810	6.2
159.05020	11.9
161.01149	11.5
161.02985	24.0
163.02724	6.3
163.04501	8.9
170.99597	17.4
171.01282	9.3
177.04161	7.3
185.02942	15.9
189.00713	26.1
189.02477	20.0
189.70331	6.3
203.02264	11.0
207.01758	9.7
208.04434	7.9
217.00159	20.4
219.03479	11.2
226.00447	6.7
226.98941	9.4
231.03490	8.9
231.09840	8.2
231.13620	25.9
231.16055	44.6
248.99185	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.155
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01870	0.7
56.96569	5.7
58.06344	0.5
58.06602	6.0
59.07373	1.4
59.83343	0.3
60.07882	0.4
60.08167	7.2
67.63286	0.3
68.05009	0.9
70.06596	35.4
70.25796	0.6
70.26196	0.8
72.07804	0.4
72.08132	2.0
73.02925	0.6
83.97588	0.3
84.04502	1.1
84.08142	1.0
86.09706	1.1
94.22020	0.3
96.08154	2.0
97.02897	0.4
98.97594	8.1
101.00903	0.6
114.05542	4.4
114.09146	2.0
116.07087	0.9
116.98642	4.8
119.01915	1.2
124.07590	3.1
126.02283	0.3
126.09108	0.5
128.98584	0.4
129.10236	0.7
130.30376	0.4
134.99640	1.6
140.03847	0.6
141.07483	0.3
142.08643	32.8
158.04941	0.4
160.06451	0.9
170.08128	1.4
183.11269	0.9
188.05998	0.6
189.04395	0.8
206.07072	1.0
209.41864	0.3
224.08099	1.5
229.15485	100.0
230.15817	1.4
248.08134	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75272	0.4
53.47742	0.4
56.14426	0.4
56.96571	37.8
58.06626	0.5
70.06603	2.2
70.96471	0.9
71.06927	1.1
71.95274	2.7
72.08170	0.6
72.96044	2.2
74.97607	0.6
83.97649	0.7
84.08133	1.4
84.73954	0.4
84.96036	1.2
86.09711	5.4
88.37718	0.4
98.97591	100.0
110.97608	0.7
116.00229	1.5
116.98631	57.5
119.01886	0.4
126.02268	2.3
128.98584	0.6
129.10243	0.5
130.15543	0.4
131.00186	0.9
134.01286	2.0
134.99669	22.4
140.00223	0.7
140.03851	2.1
142.01779	0.7
142.05362	2.2
142.08643	1.2
143.08974	1.4
144.03336	0.6
146.99673	0.8
152.02382	0.4
153.00708	1.5
158.01263	0.9
158.04883	4.1
160.06483	5.3
161.01208	0.5
170.04866	2.1
171.03273	2.3
176.05917	0.8
178.07498	1.3
188.05931	4.2
189.04364	15.0
202.07574	1.2
203.05933	0.6
206.07019	10.2
207.01839	0.6
207.05455	6.6
212.06004	1.1
220.08617	0.6
224.08090	10.4
225.08357	0.5
230.07016	14.3
230.15831	8.3
231.05377	3.2
248.08086	25.0
249.06445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
58.06351	0.4
58.06606	5.6
59.07382	1.3
60.08171	7.5
68.05027	0.8
70.06599	39.3
70.24291	0.3
70.37537	1.2
72.08150	2.6
84.04514	1.2
86.09720	0.5
96.08128	1.5
96.25784	0.3
98.06045	0.9
101.00864	0.4
102.10248	0.3
114.05545	4.4
114.06342	0.4
114.06658	0.3
114.09170	2.0
116.07082	1.2
118.08677	0.6
119.01871	0.5
124.07616	3.4
126.09163	0.7
131.01906	0.7
142.08646	32.2
150.01012	0.3
157.03493	0.5
158.53851	0.3
164.93602	0.5
170.08160	1.9
183.11275	0.7
193.81053	0.3
228.93346	0.5
229.15491	100.0
230.15846	1.5
241.12138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.90984	4.8
53.00289	4.6
53.03943	5.3
55.05498	10.0
57.03433	6.4
57.07064	8.3
58.99586	5.5
67.05526	37.4
69.03436	10.8
69.07058	13.8
69.29295	5.4
70.06584	23.2
70.57710	12.8
70.58034	6.1
72.93793	5.5
73.01133	11.4
79.05505	7.5
81.07061	26.1
83.04983	9.2
84.08160	8.1
85.06497	6.3
88.07629	15.3
88.35205	5.3
90.01430	6.3
91.05492	15.7
93.07037	5.6
95.05022	6.5
96.92398	5.6
97.02902	10.5
97.06502	6.9
99.00823	8.5
100.66561	5.2
102.09228	13.5
103.09522	8.5
104.98286	12.0
105.07059	9.1
109.10178	23.8
111.02694	5.7
113.04213	40.4
113.96418	10.1
115.03796	8.3
117.06991	6.4
119.08580	12.2
125.02380	36.4
131.97406	9.2
145.10187	9.5
147.11665	19.4
151.71988	6.0
153.07127	6.2
157.04930	19.8
157.10130	9.2
159.11731	9.0
160.34999	5.7
165.12711	9.1
169.04956	7.0
173.09505	6.6
199.89165	6.2
229.08568	10.5
229.12218	24.0
229.14244	14.9
229.16100	13.8
229.19711	10.8
229.23578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01875	1.0
57.03458	0.9
58.06587	0.4
58.99587	0.4
59.04991	0.8
61.01151	1.0
61.02940	0.5
63.00724	0.5
65.03950	0.7
67.01868	3.8
67.05508	2.6
69.03072	0.6
69.03434	10.4
69.07072	0.8
70.06601	6.8
71.55411	0.4
73.01151	5.1
73.02926	6.8
75.00720	2.2
75.02715	0.4
79.01849	0.4
79.05495	2.9
81.03411	0.7
81.07046	1.6
83.04978	1.3
84.08144	0.7
85.02914	1.1
85.06552	0.4
86.09713	1.5
87.04468	3.5
91.05496	0.5
93.07029	0.5
95.01348	1.2
95.04970	1.5
95.08613	0.7
97.02900	18.5
97.06541	2.1
99.00848	0.7
100.02251	0.4
101.05999	0.6
104.98309	1.1
106.97893	1.6
107.04964	0.7
109.02885	1.2
109.06541	0.6
109.10173	1.5
111.04458	1.4
113.05948	0.6
115.03941	0.7
116.07122	0.9
117.07059	0.4
119.08602	0.4
123.00818	2.2
123.04443	1.7
124.01591	3.7
125.02361	100.0
126.02659	1.1
126.03737	0.6
127.03162	0.7
127.03970	0.9
129.05486	0.9
129.10193	0.4
135.04398	2.0
137.02385	0.5
139.03958	0.8
141.01776	0.4
141.05463	0.8
142.02611	1.3
143.03403	6.6
151.03920	3.6
153.01866	0.8
153.05458	0.9
155.01630	0.5
155.03419	0.8
157.04976	48.0
158.05257	0.6
169.04991	3.1
171.02890	2.6
179.03383	1.4
183.05820	0.6
183.11693	0.5
185.04518	0.6
197.04468	9.1
201.05531	0.5
201.12645	0.4
229.04787	2.8
229.06870	0.6
229.08562	0.5
229.12288	0.9
229.15974	1.8
229.17734	0.8
229.23457	0.7
230.15651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.9846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27285	2.3
55.05517	21.3
57.03438	4.1
57.07080	5.3
58.99595	3.4
61.01160	3.3
67.05511	38.9
68.05825	3.1
69.03422	3.3
69.07059	10.9
70.06593	10.0
70.99565	2.8
71.05003	3.4
72.00365	5.5
73.01149	100.0
74.93812	2.2
75.02705	3.3
78.96770	3.4
79.05492	6.6
80.94698	6.6
81.07061	22.2
83.08621	16.8
84.08125	3.3
86.09737	2.7
88.07636	8.7
91.02212	3.5
91.05468	2.7
93.07040	7.6
95.04961	2.2
95.08614	43.1
96.08928	4.0
96.92433	3.9
97.06542	3.2
97.10151	4.4
97.80190	2.7
98.10516	2.9
99.00819	3.6
102.09232	2.7
102.96733	4.9
103.48454	2.3
103.97566	2.5
104.98318	15.4
105.07019	3.5
106.99887	28.3
107.08587	3.9
109.10156	27.1
110.10526	3.4
111.08109	2.6
113.04227	11.8
115.07615	3.4
118.99884	4.4
119.08556	7.0
121.10147	3.9
122.99351	2.9
125.02355	11.3
131.08545	3.7
133.10144	5.5
136.95503	3.2
143.08536	3.0
145.10107	3.8
151.14848	3.1
153.06955	2.4
156.00629	2.5
157.04999	4.0
157.10127	3.1
159.07982	3.1
165.03960	2.6
173.13275	3.2
175.14813	10.5
176.15108	3.1
193.15892	5.4
201.12625	3.4
205.98935	3.3
228.23264	51.0
229.06732	3.6
229.12256	10.5
229.15933	5.7
229.19612	5.7
229.23607	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	229.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01858	1.0
55.05514	1.0
55.63815	0.3
57.03416	0.9
57.03683	0.4
57.07085	0.4
58.06586	0.4
58.99581	0.8
59.05008	0.9
60.08156	0.7
61.01145	2.0
61.02897	0.5
63.00739	0.8
64.06857	0.3
67.01875	4.9
67.05511	3.0
68.99780	0.5
69.03077	0.6
69.03434	10.2
69.07058	1.0
69.23835	3.7
70.06597	8.9
71.04995	0.5
72.08168	1.2
73.01147	7.8
73.02927	6.3
75.00723	3.6
75.02703	2.0
77.02289	0.7
79.05503	2.6
81.03400	1.3
81.07053	2.0
83.01327	0.4
83.04970	1.2
84.08152	0.8
85.02898	0.9
85.06558	0.5
86.09727	1.8
87.04478	3.6
89.00642	0.6
91.05481	0.8
93.07067	1.2
95.01341	2.0
95.04985	2.0
95.08583	1.0
97.02897	20.3
97.06525	1.6
98.20779	0.7
99.00770	0.6
99.04460	0.5
101.06063	0.5
104.98341	1.8
105.07024	0.6
106.97874	2.7
107.04942	1.2
107.08605	0.5
109.02885	2.1
109.10195	1.7
111.04447	1.1
113.02313	0.6
115.03877	0.6
116.07114	0.7
117.07039	0.4
119.08606	0.7
123.00825	2.5
123.04417	1.8
124.01575	4.3
125.02359	100.0
126.02603	1.1
126.03716	0.8
127.03248	1.3
127.04008	0.7
129.03723	0.4
129.05475	0.7
129.10243	0.5
131.08549	0.7
133.10138	0.5
135.04440	1.7
137.02353	0.6
139.03897	1.0
141.01802	0.5
141.05467	0.5
142.02580	0.9
143.03397	6.5
143.08461	0.5
145.10074	0.5
147.11739	0.5
151.03932	3.3
153.01810	0.4
153.05481	1.1
153.07103	0.4
155.01620	0.8
155.03447	0.9
155.08563	0.4
157.04974	48.9
158.05249	0.7
159.11720	0.6
169.01270	0.5
169.04988	3.5
169.10078	0.5
171.02867	2.1
172.04274	0.5
179.03471	1.0
181.15959	0.5
183.05914	0.8
183.11662	0.7
185.09821	0.5
186.10638	0.7
187.04031	0.5
189.00369	1.0
197.04478	10.8
201.12617	0.5
211.11212	0.5
211.15030	0.5
229.04704	2.8
229.06786	1.1
229.08636	0.9
229.12236	2.1
229.15906	2.2
229.19620	0.6
229.23622	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33802	0.5
56.96557	9.7
64.16644	0.4
70.06593	1.0
71.37022	0.7
72.08138	0.4
84.08125	1.1
86.70959	0.4
91.79658	0.4
98.97569	2.4
109.05096	0.5
109.99162	0.6
110.07162	0.8
112.07621	0.8
116.98607	1.6
128.00256	0.6
138.02275	1.0
142.01746	0.5
156.03319	84.2
168.01891	0.6
168.03326	18.3
174.04388	74.5
175.04843	1.0
186.04385	100.0
187.04774	0.6
192.05452	8.3
197.05971	1.0
200.05983	1.3
204.05440	65.1
209.05943	2.0
218.07010	0.7
222.06473	2.9
227.06984	0.7
228.05406	13.2
228.23199	0.9
246.06509	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	228.9336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46400	13.1
51.73381	12.6
61.52561	16.0
65.51765	12.6
70.06844	25.9
70.07246	29.0
75.79568	12.5
82.69678	14.0
103.43274	11.9
109.91656	15.7
141.14566	12.7
145.22861	15.8
164.93570	36.7
203.75659	12.4
228.93338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03956	1.6
53.27845	1.2
53.70810	1.2
55.01863	4.1
55.05510	11.6
57.03455	7.2
57.07064	4.9
57.19542	1.3
58.04210	2.3
58.99581	4.7
59.02975	1.4
59.05006	12.0
61.01154	12.6
65.00652	2.7
67.05503	10.5
68.99794	1.8
69.03419	5.3
69.07072	11.8
69.43999	11.6
71.04649	2.1
71.05000	30.8
73.01147	52.5
73.06551	4.1
75.02313	1.9
75.02713	28.6
78.96751	2.5
79.05504	9.7
81.03401	1.6
81.07053	19.9
83.04969	6.3
83.08622	6.7
85.06551	18.0
86.09676	3.6
89.00616	7.6
91.05474	7.5
91.26234	1.4
93.07052	28.2
95.04976	100.0
95.08048	1.9
95.08614	21.1
97.01115	8.0
97.06536	21.7
97.10185	6.9
99.02691	2.2
99.04472	30.9
99.08102	32.1
100.07633	2.4
100.11267	13.9
101.04235	1.9
104.98331	22.3
105.07032	13.8
107.04964	1.7
107.07957	2.3
107.08606	27.6
109.05870	2.2
109.06527	20.5
109.10173	10.7
110.93948	2.8
111.02680	10.1
111.08105	8.2
111.08772	1.7
113.06006	2.1
113.09641	3.4
115.07590	7.0
119.08560	7.3
121.03202	2.0
121.10152	25.8
123.04414	1.7
123.08084	4.7
123.11694	11.9
125.09636	16.5
126.98501	1.6
127.07568	13.0
129.03745	3.4
129.06921	1.6
131.08569	4.6
133.10143	31.1
134.03639	6.0
135.08032	5.5
135.11739	7.5
137.09610	4.9
139.02147	8.9
139.11197	11.8
141.11456	2.0
143.10678	7.8
145.10078	4.1
147.11681	7.3
149.09641	2.8
149.13257	7.3
151.11166	6.1
153.09116	25.0
163.02464	3.2
163.11198	1.7
163.14795	6.1
163.64363	2.0
165.12781	3.0
167.01645	16.3
167.07062	2.8
169.08551	5.7
171.10172	18.3
173.13249	16.3
182.15331	2.1
183.13850	3.0
191.14337	13.8
195.01164	10.3
199.04292	9.1
202.57275	1.4
209.15332	16.6
213.17769	3.5
226.51923	1.6
227.03696	2.1
227.16406	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03965	1.7
54.83810	1.2
55.01877	1.3
55.05508	9.9
56.14557	1.4
57.03430	5.8
57.07067	4.1
59.04989	3.9
61.01150	3.2
66.42385	1.3
67.05505	6.2
69.03441	7.8
69.07072	11.2
69.67488	8.0
70.06613	2.0
71.04996	23.2
71.15952	1.3
72.04524	1.6
72.60468	1.4
73.01147	23.9
73.02922	2.2
73.06558	2.0
75.02704	4.7
79.05496	5.7
81.07056	16.5
83.05003	6.7
83.08623	5.4
85.06537	7.5
86.09705	8.5
86.99041	1.9
89.00621	3.0
91.05488	8.0
93.07047	20.1
95.04977	100.0
95.08597	14.7
97.04031	2.5
97.06540	16.1
97.10198	6.8
99.04456	14.0
99.08101	27.9
100.07632	26.5
100.11270	7.4
104.98322	8.5
105.07046	8.5
107.08604	20.5
109.06516	14.5
109.10163	8.1
111.08092	6.1
113.04156	1.3
113.09636	2.5
115.07555	7.4
115.95984	1.7
118.99858	2.2
119.08570	7.1
121.06458	1.4
121.10137	17.1
123.08071	2.5
123.11714	6.9
125.09641	21.6
127.07578	14.2
131.08571	6.0
133.10143	33.2
135.08052	4.6
135.11691	5.9
137.09583	2.4
139.11168	11.5
140.04701	2.9
143.10664	4.1
147.11671	6.7
147.13600	1.5
149.09608	5.1
149.13260	8.4
151.11171	6.1
153.09111	31.7
155.07040	2.8
158.10979	1.4
163.14825	5.6
165.12872	1.7
167.07033	2.4
171.10175	14.7
173.13264	13.7
181.04984	4.0
181.15872	1.5
186.03381	1.3
191.14320	12.8
191.59520	1.5
209.15327	19.7
216.03409	1.3
227.08537	13.9
227.16409	44.0
227.21191	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.27047	1.3
51.50245	1.3
53.03936	2.9
55.01857	5.3
55.05270	2.2
55.05515	30.1
57.03428	4.8
57.07056	6.6
59.04996	3.2
63.69038	1.4
65.03939	1.6
67.05182	2.3
67.05509	41.1
69.03432	38.1
69.07071	46.8
70.73027	4.3
71.04999	41.9
73.01133	5.4
75.02688	2.3
78.28524	1.4
79.05065	2.9
79.05495	45.8
81.03421	14.1
81.07061	62.4
81.98800	1.5
83.04989	21.6
83.08212	1.5
83.08623	17.3
85.06534	8.2
87.04430	1.6
91.05475	27.2
93.06473	3.3
93.07048	54.7
94.07401	1.5
95.04990	19.0
95.08615	48.9
97.06537	14.8
97.10187	23.0
99.04472	20.5
99.08104	6.0
100.11259	3.9
101.06033	2.5
103.05464	1.7
105.07043	25.7
105.09927	1.5
107.04972	9.8
107.08598	100.0
109.06532	17.4
109.09461	2.8
109.10165	44.0
111.08089	20.9
113.09624	1.8
115.05496	1.8
115.07558	11.2
117.07000	5.3
118.30087	1.6
119.08620	7.6
121.06498	16.6
121.09358	1.7
121.10139	43.3
123.08084	14.4
123.11717	13.6
125.05981	2.3
125.09635	25.9
129.09125	4.1
131.08566	14.7
133.10118	22.2
135.08054	26.8
135.11713	11.5
137.09592	10.0
139.07518	5.2
139.08516	1.6
139.11156	3.8
143.08577	2.7
143.10638	8.1
145.10097	7.5
147.11711	17.1
149.09639	16.5
149.13249	20.5
151.11192	29.0
153.09143	10.3
158.10938	4.6
161.13220	2.6
163.11116	2.9
163.14818	23.3
165.12788	10.6
167.07028	2.4
167.10724	2.8
167.14305	2.0
173.13283	37.0
179.14232	1.6
183.13786	5.2
191.14304	41.8
209.15358	19.8
227.16418	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03949	0.7
55.01883	1.4
55.05511	6.9
57.03437	6.5
57.07073	3.7
58.04221	1.4
58.06603	1.0
58.99593	7.5
59.05000	6.5
59.96735	1.0
61.00835	1.1
61.01155	20.0
65.00645	0.8
65.03942	1.2
67.05503	5.2
69.03443	3.9
69.07070	10.7
70.06587	1.2
70.99586	2.0
71.04996	16.6
71.05367	1.3
71.34604	1.5
72.04507	0.9
73.01145	100.0
73.06563	1.9
75.02707	13.2
78.96774	2.6
79.05508	5.0
81.07061	10.1
83.04978	3.5
83.08632	4.8
83.09035	0.9
85.06550	9.5
86.09716	13.6
86.99060	4.8
87.02644	0.8
89.00624	6.4
91.05470	4.0
92.98327	1.2
93.07040	14.2
95.04973	53.8
95.08602	10.0
97.06537	11.1
97.10169	3.0
99.04456	6.6
99.08096	19.5
100.07618	9.9
100.11257	8.5
101.04244	2.2
103.92808	0.7
104.98323	32.8
105.03739	4.9
105.07037	5.8
105.53226	0.7
107.08599	15.0
109.06528	9.4
109.10160	7.6
110.93960	1.3
111.02673	1.0
111.08092	4.1
113.09652	1.3
115.07564	4.4
118.99884	1.6
119.08601	4.7
120.97795	2.1
121.06506	1.3
121.10153	16.0
123.04459	0.8
123.08083	1.2
123.11712	4.2
125.09639	8.6
126.82720	0.6
127.07555	8.9
129.03683	4.5
131.08586	4.0
133.10138	18.2
135.08070	3.3
135.11705	5.3
137.00890	4.7
137.09663	3.8
137.13220	0.8
139.11172	8.1
140.04662	1.3
143.10680	5.6
145.01422	2.7
145.10150	1.1
147.11705	3.9
149.09593	1.4
149.13266	6.7
151.11165	3.5
153.09108	16.1
155.07065	1.8
157.10219	0.6
158.10916	1.4
163.02492	4.9
163.14801	2.7
164.96602	0.8
165.12683	1.5
167.07062	3.7
167.14284	1.6
169.08636	0.7
171.10179	11.1
173.13248	8.1
177.05547	1.2
181.04921	2.0
191.14328	6.0
199.17934	1.0
209.15286	7.6
227.00291	0.7
227.10626	0.9
227.16393	36.2
227.21104	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	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01861	1.0
55.05513	2.0
56.37054	0.2
57.03434	2.5
57.07063	0.3
58.99588	2.4
59.05002	1.8
59.96726	0.4
61.01153	6.0
65.03936	0.4
67.01870	0.2
67.05505	1.6
67.46899	0.2
68.02659	0.5
68.99786	0.8
69.03427	0.8
69.07074	4.2
70.06570	0.3
70.99564	0.4
71.04990	1.6
71.47383	0.3
73.01144	29.3
74.01468	0.2
74.01921	0.4
75.02705	3.0
78.96754	0.6
79.05492	2.8
81.03412	1.0
81.07059	10.6
83.04987	4.9
83.08601	1.0
85.02907	0.4
85.06537	1.4
86.09705	6.5
86.99062	1.2
87.02674	0.3
89.00602	1.4
91.05490	2.3
92.98327	0.5
93.07050	3.5
95.04987	1.9
95.08607	0.7
97.01146	1.2
97.06534	2.2
97.10196	0.4
98.21409	0.3
99.04440	0.9
99.08088	1.7
100.07600	0.4
100.11262	1.8
101.04234	0.7
103.05441	0.3
104.98317	9.9
105.03770	1.4
105.04385	0.3
105.07034	0.8
105.99120	0.4
107.04958	0.3
107.08598	3.0
108.05747	0.6
109.06519	2.3
109.10171	1.2
111.02691	1.2
111.04443	1.1
111.08080	2.1
113.06019	6.6
113.71685	0.3
115.07581	0.9
119.08584	0.7
120.97762	0.9
121.06519	2.3
121.10162	1.5
123.04426	0.3
123.08035	0.6
123.11722	0.6
125.05991	0.7
125.09631	0.7
127.07577	0.4
127.13252	0.2
129.03746	1.3
129.09102	0.3
131.08585	0.4
131.33342	0.2
133.10149	1.4
134.03680	0.4
135.08052	1.0
135.11684	0.6
137.00916	1.0
137.05975	0.5
137.09601	0.7
138.06575	0.2
139.03905	100.0
140.04196	0.4
145.01439	0.9
147.11734	0.5
149.09673	0.4
149.13290	1.2
151.11186	0.8
153.05490	0.3
153.09097	0.4
153.12643	0.4
162.05923	0.4
163.02498	2.2
163.14813	0.8
165.09184	0.4
165.12744	1.0
167.01630	2.1
167.07043	17.5
167.10698	0.5
169.08595	0.5
169.12161	0.3
173.13257	0.9
191.14281	1.1
195.01118	1.3
199.04204	1.3
209.11736	26.9
209.15240	0.9
223.52525	0.2
227.09119	2.2
227.12750	2.5
227.16168	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.03958	4.7
55.01867	9.6
55.05507	42.9
57.03418	4.3
57.07074	6.8
61.01122	7.3
67.05506	32.6
69.03431	5.1
69.07073	30.3
69.67330	23.9
71.04999	9.0
73.01148	29.5
73.02898	8.1
79.05500	37.5
81.03423	6.2
81.07060	35.8
83.04972	9.9
83.08630	23.0
84.08135	4.7
85.06532	6.7
91.05496	21.0
93.07044	60.6
94.36617	3.9
95.04967	15.7
95.08614	55.7
97.02916	5.8
97.06525	14.9
97.10172	5.2
98.21466	9.8
99.04470	10.3
100.07617	12.9
100.11265	69.2
101.04288	4.2
103.05485	5.9
104.98321	12.0
105.07037	16.5
107.04957	16.6
107.08607	44.5
109.02866	7.7
109.06541	6.0
109.10147	6.0
111.02674	7.1
111.04433	10.6
111.08076	8.4
112.03432	12.7
113.04240	100.0
116.98330	7.8
117.07015	16.4
119.08580	13.4
121.06499	18.7
121.10129	20.3
125.02343	3.9
125.05956	5.2
125.09615	10.6
129.03751	5.1
129.07019	7.4
131.08563	4.2
135.08098	7.8
135.11699	55.9
137.05908	6.1
143.08597	9.8
144.00609	10.3
145.10126	27.0
146.46715	4.7
149.05980	7.5
155.06946	4.9
155.08568	5.8
156.09390	8.6
157.10133	9.8
163.11200	67.9
166.07755	7.7
167.07056	56.3
171.08025	11.8
171.11714	10.7
177.05519	13.7
181.12206	10.9
209.16518	9.7
212.08347	9.5
226.96849	6.9
227.10579	30.0
227.12785	87.9
227.17787	28.0
227.20970	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	227.1279
Annotation	Stagonolide
Peak:m/z	Relative Intensity
50.97231	0.3
53.03942	1.1
54.39762	0.3
55.01862	1.6
55.05516	4.6
56.96543	0.5
57.07081	2.9
58.99587	0.9
61.01149	0.4
65.03935	0.7
67.05515	2.2
68.02654	4.8
69.03422	0.9
69.06778	0.4
69.07075	4.5
69.36617	2.6
71.04991	1.9
71.08641	4.5
72.27518	0.4
73.01158	2.5
79.05492	4.2
81.03416	0.8
81.07066	2.6
83.04981	4.4
83.08613	1.5
84.08203	0.4
85.02909	0.7
85.06538	1.4
86.09694	0.5
86.81846	0.3
89.00596	0.4
91.05491	2.4
93.07043	2.1
95.04985	1.9
95.08604	1.2
97.02874	0.4
97.06535	5.0
97.10162	1.0
99.02675	0.5
99.04459	1.7
99.08101	2.2
99.66618	0.4
100.07610	1.4
100.11262	5.9
101.04208	0.4
103.97542	0.5
104.98315	1.5
105.06997	1.1
107.04938	1.5
107.08595	1.6
109.02913	0.4
109.06540	0.8
109.10161	0.9
111.04451	30.1
111.08075	0.9
112.03403	0.5
113.04216	3.9
114.98704	0.4
117.07056	0.4
119.08585	1.1
121.06493	1.5
121.10138	0.9
123.04416	0.7
123.08057	0.6
124.02190	0.4
124.05212	1.1
125.05163	0.6
125.06004	7.0
125.09608	0.6
127.00480	0.9
127.03941	3.6
128.06238	0.4
129.06985	0.7
131.08539	1.8
135.04480	0.4
135.08090	1.2
136.95496	0.6
137.06018	0.8
139.03912	6.1
140.04681	1.5
141.05434	1.9
142.03232	0.5
143.08556	0.4
145.01370	0.4
145.10078	0.5
149.05997	1.3
149.09665	0.8
153.05482	12.0
153.09048	0.4
155.03358	0.9
157.04999	2.1
157.10060	0.7
163.11192	0.5
165.09200	0.5
166.06256	0.6
167.07059	8.4
169.08574	0.5
171.11696	0.6
177.05492	0.5
181.12247	2.7
185.09650	0.4
185.13269	0.5
191.10606	0.4
194.12544	0.4
197.09572	0.4
199.11240	0.6
209.11734	5.2
209.16562	0.5
227.12785	100.0
227.17610	2.3
228.13213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.89249	0.8
53.03956	1.8
53.95281	1.1
55.01873	31.2
55.05518	9.1
56.96549	1.0
57.03442	2.0
57.07070	4.4
58.99586	2.0
59.05002	1.2
60.58801	0.8
61.01159	7.2
65.03938	1.8
67.05509	12.8
69.03431	5.1
69.07074	23.0
70.06585	1.2
71.04702	0.8
71.05005	8.8
71.55169	1.0
73.01147	8.2
73.02917	1.3
75.02722	1.3
78.04711	0.9
79.05505	12.3
79.46246	0.8
81.03426	1.3
81.07064	11.2
82.06587	0.9
83.04980	3.4
83.08632	6.3
85.02911	1.7
85.06547	13.8
86.09716	3.5
91.05481	8.6
93.07049	14.4
93.78925	0.9
95.04973	7.5
95.08613	24.6
97.06538	20.4
97.10172	1.1
99.02675	1.3
99.04462	14.3
99.08084	1.5
100.07613	2.6
100.11266	13.3
101.04234	1.6
103.05492	1.7
104.98325	21.9
105.03438	1.1
105.07040	11.0
107.04966	3.7
107.07866	1.7
107.08604	35.7
109.06526	11.7
109.10185	2.2
111.02695	1.5
111.04441	7.2
111.08092	9.4
112.03454	1.0
113.04240	5.2
113.05980	4.8
117.07033	1.0
119.08604	4.5
121.06524	7.2
121.10140	10.4
123.04433	1.0
123.08080	15.4
123.11720	1.8
124.02217	1.0
125.05990	3.8
125.09641	2.4
127.07536	1.7
129.07043	1.1
131.08588	2.4
133.06485	1.3
133.10144	2.8
135.04399	1.1
135.08086	2.7
135.11694	5.2
137.05975	1.8
137.09659	1.0
139.02065	1.1
139.03941	2.8
139.07533	1.4
139.11172	1.5
140.04666	1.3
141.05457	0.8
142.07875	1.0
143.08542	2.4
145.10136	7.6
147.02991	2.1
147.11729	1.9
149.06000	2.0
149.09642	3.7
151.07553	14.9
153.05489	2.8
153.09148	1.7
155.07042	1.0
156.09438	1.0
157.08745	1.0
157.10153	2.8
163.11192	16.9
167.07043	22.0
167.08424	1.4
167.10661	5.0
169.08614	100.0
171.08005	1.1
171.11746	2.4
173.09589	2.1
173.13324	1.1
177.05453	2.4
180.04396	1.3
181.04961	1.3
181.12256	9.5
185.11710	1.5
185.13336	1.5
191.10701	6.1
195.01157	1.0
195.10284	1.6
199.14745	0.9
209.08099	1.0
209.11729	9.9
209.15152	0.9
227.05038	1.1
227.09070	1.6
227.12770	23.6
227.14864	1.6
227.17992	7.6
227.21320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03935	1.0
55.01875	1.3
55.05514	3.2
56.96551	1.3
57.03445	0.5
57.06825	0.4
57.07082	2.9
61.01142	0.4
65.03934	0.4
67.05501	1.8
68.02657	4.1
69.03429	0.6
69.07071	3.3
70.06573	0.6
70.44222	0.8
71.04982	0.5
71.08635	5.4
72.93801	0.7
73.01149	2.0
79.05496	4.8
81.07060	1.8
83.04989	4.7
83.08598	0.9
85.02905	0.8
85.06557	0.9
91.05492	2.7
93.07028	1.4
95.04959	1.4
96.04524	0.4
97.01149	0.4
97.06539	3.1
97.10143	0.7
99.02708	0.5
99.04430	1.2
99.08110	2.1
100.07607	0.7
100.11273	3.6
104.98314	1.2
107.04939	1.1
107.08591	1.2
109.06503	0.6
111.04449	29.6
111.08067	0.7
112.03435	0.9
113.04239	13.6
113.05964	0.6
113.96384	0.4
117.07063	0.6
119.08562	0.6
121.06492	1.6
121.10149	0.4
123.04458	0.6
125.06003	7.3
127.03931	3.9
130.04512	0.6
130.99849	0.6
131.08575	1.8
131.97426	0.5
135.08081	1.0
136.95445	0.7
137.05981	1.2
139.03928	4.6
140.04681	1.5
141.05467	1.8
141.07004	0.5
144.00604	0.8
145.01427	0.8
147.02989	0.6
149.05968	1.0
149.09650	0.7
153.05484	13.9
154.06241	0.6
155.03371	1.0
157.04993	2.5
157.10043	0.6
163.02356	0.4
163.11160	0.6
165.05573	0.5
167.07053	7.4
171.06378	0.4
171.11731	0.5
180.98358	0.8
181.12207	1.9
185.13222	0.6
191.10736	0.7
196.36293	0.4
209.11707	4.9
209.16504	0.8
226.96904	2.5
227.12791	100.0
228.13138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
53.00315	0.7
53.03948	3.7
53.47284	0.3
55.01877	3.0
55.05512	4.0
57.03443	1.5
57.59918	0.3
58.04228	0.5
58.99590	3.1
59.05004	4.7
61.01157	4.3
61.02935	1.3
64.71938	0.3
65.00645	0.7
65.03963	1.6
67.05510	6.5
68.99799	4.7
69.03431	2.7
69.07059	1.9
69.37207	1.3
69.37639	1.7
70.99572	0.8
71.01366	1.7
71.05014	1.5
72.92440	0.3
73.01146	21.6
75.02711	6.4
77.03954	1.1
78.04711	0.6
78.29768	0.4
78.96784	1.2
79.05499	6.1
81.03436	0.9
81.07054	3.3
83.01318	0.4
83.05000	1.3
83.08612	2.1
84.97495	0.4
85.01164	0.5
85.06544	0.7
86.09709	4.1
86.99059	0.6
87.02707	0.6
89.00623	2.8
91.05486	12.7
91.32291	0.3
92.98331	0.6
93.07052	14.2
95.04971	7.1
95.08623	1.3
96.32147	0.3
97.01124	11.5
97.02871	0.4
97.06539	6.7
97.10175	0.8
99.02711	2.4
99.04465	0.9
100.07632	1.3
100.11260	3.3
100.11814	0.4
101.02384	0.8
101.04250	1.0
103.05470	1.1
104.96336	0.6
104.98318	7.9
105.03415	0.8
105.04516	1.7
105.07051	0.8
107.01338	1.6
107.04976	1.8
107.08614	1.8
109.06524	10.2
109.10172	0.6
110.07288	0.6
110.93956	0.4
110.99074	0.5
111.02672	12.9
111.04447	1.4
111.08088	7.2
112.03509	0.4
113.00593	0.5
113.02343	0.7
115.02155	1.1
116.98458	0.4
117.05505	0.4
118.97881	0.6
120.05743	0.4
121.01102	1.6
121.03207	0.4
121.06511	16.3
121.10132	0.4
122.98991	0.4
123.00838	0.3
123.04438	2.6
123.08066	1.1
124.05174	0.5
125.00579	1.7
125.06029	2.9
125.09650	1.3
126.98483	2.3
127.02166	0.5
127.07593	1.2
129.03723	0.8
133.02869	0.6
134.03644	8.2
135.04369	0.4
135.08087	0.7
137.00882	0.6
137.05992	2.1
138.06775	1.2
139.02132	12.6
139.03915	1.2
139.07562	1.4
140.02905	1.4
141.11461	0.5
143.01596	0.7
145.01375	0.7
149.00633	0.4
149.05959	1.4
151.03909	2.1
151.07614	0.3
153.00125	0.7
153.05511	1.6
155.07007	0.4
156.09335	0.3
157.03319	0.4
157.05005	1.0
163.02486	1.2
163.07538	0.6
165.05499	0.8
167.01634	25.2
167.07048	100.0
168.01894	0.6
168.07382	1.3
168.99565	0.9
171.04771	0.8
171.11650	0.5
183.01186	0.7
185.02747	0.8
189.11177	0.5
191.06889	0.4
195.01128	16.0
196.28989	0.3
199.04256	15.8
213.02193	0.4
227.03792	2.4
227.09129	14.1
227.12761	1.2
227.17679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.3
53.03953	5.0
55.01878	6.3
55.05510	4.5
56.80620	0.8
57.03440	3.3
57.07074	1.0
58.05281	0.8
58.52184	0.9
58.99589	9.7
59.05005	19.4
61.01153	7.7
64.93021	0.8
65.03945	3.4
67.05508	13.8
68.99795	16.1
69.03442	1.2
69.07072	4.8
70.72932	2.5
70.99582	2.4
71.01363	5.9
71.04996	2.8
71.67381	0.9
73.01148	46.1
74.60618	1.2
75.02703	4.7
77.03938	1.2
78.04717	2.6
78.96783	1.3
79.05498	11.3
81.03433	2.4
81.07075	3.2
83.04968	1.8
83.08620	2.4
84.08189	1.1
84.97528	1.1
85.01121	1.2
85.06534	1.3
86.09708	6.5
86.99047	1.8
87.81400	0.8
89.00610	2.7
91.05473	3.2
93.07054	3.1
95.04971	12.9
95.08619	2.0
95.57020	0.8
97.01125	42.1
97.06531	2.2
99.02673	6.8
99.04469	3.3
99.08134	0.9
100.07603	1.2
100.11256	8.8
101.82191	0.8
104.98321	12.2
105.03416	3.4
105.04526	2.1
105.07008	1.3
107.01321	4.1
107.04967	2.9
107.08614	3.4
109.06512	2.3
109.10145	2.5
111.02676	46.5
111.04433	1.9
111.08096	3.0
113.00615	1.1
115.02168	4.1
121.01095	6.8
121.06565	1.2
121.10181	2.7
122.99046	2.4
123.02663	0.9
123.04451	10.3
123.08086	1.8
125.00591	9.1
125.05993	1.8
125.09633	1.7
126.98498	8.4
127.02149	1.0
129.03716	1.8
133.02861	3.5
133.10178	2.0
134.03642	29.6
135.04414	1.1
135.11743	1.0
137.00824	1.2
137.05977	1.3
138.98524	1.0
139.02141	43.0
139.03801	7.6
139.11169	0.9
140.02914	7.4
143.01613	2.6
145.10165	1.0
149.00566	1.2
151.03885	7.5
153.00058	4.2
153.09145	1.6
157.03171	1.1
157.06644	0.9
163.02499	1.4
165.05515	1.2
166.01004	1.1
167.01636	100.0
167.07039	8.6
168.01984	1.3
168.99559	4.1
169.12251	0.9
171.04773	2.4
171.10265	1.0
171.11673	0.9
183.01154	2.5
185.02699	1.1
195.01131	63.2
198.03453	1.9
199.04251	53.6
209.11655	1.0
209.15350	1.5
213.02234	1.6
222.54593	0.8
227.03720	9.7
227.10849	2.2
227.12798	2.4
227.17775	3.7
228.78096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9722
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89911	5.1
74.84553	2.3
94.93016	17.8
111.26191	1.8
150.95596	100.0
166.95131	4.6
180.96672	6.7
196.85738	5.1
208.96187	13.8
226.86751	14.9
226.97197	26.6
227.94899	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	227.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50687	0.4
53.03948	1.6
55.01881	2.5
55.05511	1.7
57.03444	4.3
57.07071	0.5
57.24060	0.4
58.04221	1.1
58.06599	1.3
58.99286	0.5
58.99588	8.4
59.05006	7.3
59.96734	1.4
61.01157	19.8
65.00620	0.8
65.03962	2.1
67.05509	5.0
68.99802	4.0
69.03427	0.6
69.07072	2.0
69.27978	3.8
70.06600	1.2
70.99601	2.3
71.01357	1.2
71.05004	1.1
72.08142	0.5
73.01147	100.0
73.02925	5.5
74.01509	0.5
74.01923	1.2
75.02712	13.2
75.97620	0.4
77.03926	0.6
78.04717	0.8
78.40586	0.3
78.96796	2.4
79.05509	3.9
79.16244	0.4
81.03428	1.1
81.07066	1.7
83.05005	0.7
83.08642	1.0
84.04503	0.5
84.08150	0.7
85.01153	0.5
85.02909	0.8
85.06550	2.0
86.09714	5.3
86.99070	4.0
87.02678	0.9
89.00619	6.7
91.05511	1.4
92.98348	1.5
93.03423	0.5
93.07056	1.2
95.04977	4.8
95.08619	0.8
97.01126	12.6
97.06527	1.0
97.10172	0.6
99.02695	3.6
99.04478	0.9
99.08070	0.6
100.11259	6.0
101.04270	2.6
102.96731	0.4
103.02182	0.6
103.05523	0.5
104.98325	32.9
105.03733	2.7
105.04469	0.7
105.07025	0.6
105.99098	0.6
106.04172	0.4
107.01358	1.2
107.04978	1.0
107.08619	1.2
109.01205	0.4
109.06509	0.5
109.10179	0.9
110.03671	0.7
110.07198	1.2
110.93979	1.5
111.02677	14.4
111.04440	0.7
111.08113	0.9
112.03486	0.9
113.00594	0.7
115.02171	1.2
118.99879	0.7
120.97808	2.4
121.01097	2.6
121.06537	0.8
121.10174	0.9
122.99033	0.4
123.02657	0.5
123.04433	3.7
123.08086	0.9
125.00613	1.6
125.02390	0.4
125.06014	0.7
125.09628	0.6
126.98513	2.6
129.03699	3.3
131.08629	0.6
132.50899	0.4
133.02888	0.7
133.10170	0.6
134.03633	8.2
134.99396	0.4
137.00905	3.1
138.03127	0.5
138.09140	0.4
138.45557	0.3
139.02145	11.5
139.03845	0.7
139.11156	0.5
140.03044	2.2
140.04688	6.5
140.05707	0.5
143.01665	0.5
145.01430	2.4
145.03212	0.9
145.10117	0.4
149.06029	0.5
151.03941	2.9
153.00070	1.2
153.05487	0.5
153.09163	0.6
155.07040	9.4
157.03236	0.5
162.05885	0.6
163.02469	3.6
166.06239	0.5
166.08754	0.7
167.01640	26.4
167.07069	1.9
168.99559	0.7
171.04808	0.8
171.06573	0.9
179.07092	0.5
179.14319	0.7
181.03380	0.9
181.04977	15.1
181.08583	0.4
183.01146	0.6
184.05150	0.4
191.14325	0.5
195.01144	17.5
198.03471	0.4
199.04254	14.7
209.08104	2.6
209.16649	0.8
212.04706	0.5
213.02307	0.5
227.03793	2.9
227.07112	0.7
227.09213	1.5
227.14160	0.7
227.17632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03939	0.4
54.60517	0.2
55.05519	0.7
58.99588	1.9
60.15206	0.2
61.01154	0.8
62.10408	0.2
67.05502	0.8
69.07075	4.5
70.99572	0.3
71.15896	0.6
73.01144	2.0
78.46790	0.2
79.05060	0.5
79.05500	6.1
79.05965	0.3
81.07061	0.4
84.44271	0.3
85.01132	1.0
86.58028	0.2
95.04980	0.4
97.01129	0.7
97.06542	1.0
98.01927	0.7
99.02696	3.4
100.07638	0.5
100.11268	1.0
101.04251	1.4
103.97569	0.9
104.98329	0.5
111.02664	2.0
112.03468	4.2
113.04240	100.0
113.22430	0.3
114.05070	4.4
115.02151	0.4
116.43261	0.3
123.08062	0.3
129.03677	0.3
130.04503	0.8
130.99892	1.2
131.05269	2.2
133.01453	0.8
136.95515	0.9
142.99873	0.9
144.00629	1.7
145.01402	1.8
146.02213	1.1
147.02989	6.5
161.00945	1.5
162.01733	0.8
163.02481	4.8
167.07236	0.2
176.98610	1.3
202.07906	0.2
226.21635	0.9
226.96895	20.5
227.17746	0.5
239.06892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03956	6.9
55.01870	6.1
55.05513	91.1
57.03454	5.8
57.07071	7.6
58.06586	2.5
58.52053	2.6
58.83108	2.5
58.99580	4.0
59.05000	4.0
59.92669	2.6
59.96756	2.3
61.01182	2.8
65.03942	5.6
67.05511	25.9
69.03442	16.7
69.07058	17.7
70.84251	6.7
71.04980	10.8
73.01144	24.9
73.25205	2.4
75.02718	22.0
79.05481	15.1
81.03413	11.9
81.07060	44.0
83.04476	5.7
83.04985	100.0
83.08618	15.4
85.02893	18.9
85.06572	5.6
86.09692	5.1
91.02182	8.6
91.05483	40.5
93.07053	33.6
95.04967	12.0
95.08614	32.3
97.06541	18.3
97.10174	8.5
99.04456	41.7
99.08103	3.9
103.02172	26.0
104.98280	5.5
105.03370	3.6
105.07032	43.4
107.08602	37.0
109.06529	19.1
109.10156	27.5
111.08071	12.1
113.06026	2.9
116.98300	25.1
117.06999	5.7
118.04140	3.1
118.99859	27.1
119.04942	28.4
119.08586	59.6
121.06523	5.3
121.10148	22.0
122.99335	3.3
123.08074	65.9
123.11710	24.3
125.05991	7.5
125.09620	8.9
131.08562	6.0
133.06497	4.6
133.10143	21.5
134.99330	8.8
135.08086	3.4
135.11705	5.1
137.05951	4.3
137.09618	9.6
137.13271	3.5
141.09076	5.5
145.10091	8.2
147.04405	20.6
147.08064	3.8
147.11703	18.8
149.02371	3.1
149.09630	19.9
151.07602	17.3
151.11186	55.0
156.09360	3.1
159.11707	3.2
161.09674	3.5
161.13284	39.1
163.11203	14.4
164.04668	3.3
165.09117	11.1
165.12733	10.3
167.14297	19.5
171.11702	7.9
175.03915	38.7
177.12914	4.0
179.07013	3.4
179.14343	6.0
181.12254	5.0
183.13817	2.9
189.12752	75.6
192.04187	12.7
207.06531	45.7
207.13792	53.1
216.07114	2.8
225.09067	4.0
225.14880	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03936	1.2
55.05511	6.0
57.03432	1.4
57.07064	3.9
57.08157	1.0
65.03930	1.1
67.05499	4.5
69.03435	1.2
69.07049	4.0
71.04997	41.3
73.01152	1.2
78.87823	1.1
79.05505	5.5
81.03424	1.6
81.07056	9.8
83.04983	5.8
83.08627	6.7
85.02898	2.2
85.06554	1.4
91.05473	5.8
93.07036	3.9
95.04964	2.4
95.08607	10.2
97.02906	1.3
97.06542	8.7
98.21616	1.6
99.04459	100.0
99.08100	2.0
99.71290	1.0
105.03378	2.3
105.07025	6.5
107.04916	1.0
107.08603	38.0
109.06514	22.7
109.10160	2.9
110.26940	1.1
111.04430	1.0
111.08076	2.1
111.11712	1.6
113.09631	5.2
119.04963	1.1
119.08569	5.3
121.06465	1.2
121.10152	16.4
123.08075	20.6
123.11712	16.6
125.09644	6.8
127.07497	1.5
131.08586	1.2
133.10205	1.5
135.08017	1.4
135.11668	1.7
137.05992	1.9
137.09645	2.6
137.13269	2.6
139.11183	2.2
141.12698	2.1
147.11684	8.0
149.09621	11.4
151.07523	3.2
151.11133	1.2
155.10774	1.3
161.09570	1.0
161.13264	2.9
163.11220	1.3
165.09167	2.1
165.12747	13.0
167.06985	1.9
167.10686	26.7
175.03928	2.3
179.14301	3.0
183.11438	1.4
183.13817	34.0
183.53999	0.9
189.12732	5.2
207.06549	2.5
207.13765	8.5
225.12808	1.2
225.14766	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01884	2.0
55.05520	6.6
57.03434	5.2
57.07071	2.0
58.51461	1.5
59.05011	3.0
67.05495	5.9
69.03422	1.7
69.07085	8.1
71.04991	4.9
71.09952	2.3
71.10266	1.3
79.05491	4.9
81.03445	1.6
81.07075	17.7
82.02718	1.3
83.04974	11.0
85.02898	3.2
85.06517	1.9
86.34922	1.3
91.05470	2.5
93.07066	6.2
95.04968	2.6
95.08606	13.3
97.06529	14.7
97.10193	2.5
99.04478	17.3
99.08097	4.1
105.07053	10.2
107.08604	10.9
109.06524	6.5
109.10146	9.7
111.08072	6.4
116.80207	1.4
119.04942	1.3
119.08597	8.8
121.10164	21.9
123.08076	100.0
123.11736	5.3
125.09603	2.3
127.07596	2.0
127.11220	2.1
133.10143	5.3
135.11694	2.4
137.05995	2.3
137.09648	7.7
137.13206	3.3
141.09106	3.0
145.10138	2.6
147.08044	1.7
147.11688	8.5
149.09648	14.0
151.07544	21.9
151.11203	7.1
161.13266	9.1
163.11157	10.1
165.12808	3.8
167.10664	1.6
171.11688	1.8
179.14354	3.9
181.12231	5.6
189.12721	15.9
207.13834	17.8
225.14880	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.67229	2.1
53.03941	3.8
55.01867	3.0
55.05508	9.5
57.03428	7.5
57.07066	4.6
59.04978	3.4
61.02919	1.9
63.54702	2.1
65.94294	1.8
67.05505	17.7
69.03415	4.4
69.07064	14.5
71.05003	21.3
71.28223	3.2
73.06558	2.6
78.87398	2.3
79.05484	13.0
81.03418	4.3
81.07063	56.8
83.05013	11.9
83.08588	2.9
83.22651	1.7
84.04485	2.1
85.02908	9.6
85.06544	4.1
91.05482	8.9
93.07040	20.7
95.04948	5.8
95.08619	23.9
97.06541	14.1
97.10175	2.8
99.04460	57.6
99.08110	10.1
105.07034	21.1
107.08585	20.0
109.06532	17.5
109.09480	2.4
109.10169	26.5
111.04433	3.2
111.08079	6.9
117.28777	2.0
119.08579	24.7
121.06483	2.9
121.09316	3.0
121.10144	45.0
123.08080	100.0
123.11707	10.9
125.05975	2.4
125.09585	5.4
127.07534	5.8
127.11230	4.5
131.08575	4.0
133.10132	6.9
135.08107	3.5
135.11714	5.5
137.09633	28.0
137.13264	13.0
140.74033	1.8
141.09088	6.5
145.10072	6.8
147.08011	7.2
147.11691	21.9
149.09630	90.1
151.07568	18.6
151.11165	10.4
159.08049	2.9
161.09561	2.8
161.13257	16.4
163.11229	10.3
165.09109	8.3
165.12798	17.8
167.10638	2.9
171.11691	6.9
174.10432	4.1
179.14276	3.5
181.12263	3.4
183.13780	4.7
184.82532	2.3
189.12741	30.6
207.13809	31.3
225.14848	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03954	5.0
55.01868	5.2
55.05515	42.6
57.03437	6.9
57.07072	6.5
58.99577	5.0
59.05012	4.6
64.79293	2.2
67.05506	18.4
69.03427	14.0
69.07064	21.5
69.54473	8.8
69.54899	6.7
71.05004	12.9
71.12257	2.8
73.01156	21.7
75.02713	18.5
77.03923	2.6
79.05494	15.4
79.75489	2.1
81.03417	7.5
81.07060	36.5
83.04984	47.3
83.08619	10.8
84.08156	4.4
85.02481	1.9
85.02911	14.0
85.06539	2.9
86.09699	4.7
91.02176	4.6
91.05489	58.7
93.03383	2.5
93.07042	25.7
93.47016	2.3
95.04999	13.7
95.08617	29.9
97.02901	5.7
97.06545	17.1
99.04467	34.4
99.08114	5.9
102.96761	5.4
103.02166	27.4
103.97579	2.9
104.98330	3.7
105.03430	3.8
105.07040	36.1
107.04973	4.0
107.08607	27.4
109.06538	14.4
109.10163	21.1
111.04453	3.6
111.08092	10.4
113.09701	4.0
116.98323	20.6
117.07021	3.7
118.04180	7.9
118.99876	23.4
119.04957	48.1
119.08586	48.0
121.02930	2.9
121.06545	5.9
121.10147	30.1
123.04449	4.4
123.08077	100.0
123.11723	18.6
125.06002	9.9
125.09632	9.2
127.07508	2.8
129.06906	3.7
131.08594	7.4
132.02039	3.6
132.29195	2.4
133.06462	4.7
133.10141	18.1
134.06117	2.4
134.99384	6.3
135.08080	6.0
135.11661	5.5
136.60092	2.5
137.05957	6.4
137.09642	14.0
137.13298	5.1
141.06940	2.5
141.09090	4.5
143.08617	3.7
145.10138	9.3
147.04416	44.4
147.08099	7.4
147.11713	18.5
149.02357	7.1
149.09633	26.9
151.07552	26.4
151.11200	27.0
152.07060	4.2
155.07034	2.7
156.09361	7.8
157.03990	3.9
159.11667	5.1
161.13274	39.7
163.08672	2.9
163.11223	17.9
164.04745	4.9
165.09120	7.6
165.12752	8.2
167.14317	4.8
171.11711	5.7
175.03925	71.3
177.01823	3.5
177.12810	3.7
179.06992	5.6
179.14279	4.6
181.12201	5.9
183.06436	3.6
183.13847	3.7
189.12750	80.0
192.04224	19.4
206.99629	2.9
207.06534	89.8
207.13820	52.3
225.14867	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.02370	2.5
55.05502	8.9
57.03429	6.1
57.07063	4.7
59.05009	2.8
61.01156	2.7
67.05505	19.5
69.03412	5.2
69.07079	13.5
71.04985	10.0
71.06422	2.9
71.06767	5.9
79.05489	10.8
79.20821	2.6
81.03388	5.7
81.07056	44.2
83.04981	12.6
84.08147	2.8
85.02911	100.0
85.06529	6.9
91.05489	16.4
91.10565	2.2
93.07056	12.6
95.04951	10.8
95.08611	45.4
95.59152	2.7
97.02944	2.7
97.06533	14.9
97.10186	3.0
99.04459	20.1
99.08090	3.0
105.07024	14.2
107.08105	2.2
107.08614	24.8
109.06535	14.1
109.10148	21.8
111.04423	3.3
111.08063	5.6
112.38055	2.6
113.06041	3.3
119.04948	3.6
119.08587	20.9
121.10133	24.3
123.07196	4.2
123.08073	74.5
123.11714	84.8
125.05985	12.6
125.09637	5.8
127.07571	2.8
127.11072	2.6
131.08537	2.6
132.08066	6.5
133.10129	7.5
135.08076	5.8
135.11749	4.3
137.09634	15.3
141.09071	3.5
143.08589	3.4
145.06715	2.4
145.10115	4.8
147.04424	3.1
147.08035	7.9
147.11676	16.9
149.09624	31.0
151.07542	18.6
151.11188	5.7
155.03378	10.1
161.09621	2.4
161.13231	14.4
163.11221	15.1
164.04776	2.6
165.09097	14.4
165.12729	10.1
167.10658	4.6
168.40155	3.1
169.08618	4.0
171.11725	4.3
174.10385	3.0
175.03912	6.9
177.12650	3.3
180.79378	2.5
183.13831	4.6
189.12827	21.0
207.06429	6.9
207.13831	44.0
225.11330	5.8
225.14845	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.48507	0.9
53.03933	1.1
55.01876	1.8
55.05513	7.4
57.03429	3.5
57.07070	2.2
58.99570	1.5
59.04989	2.7
67.05512	10.3
69.03429	1.3
69.07070	9.5
70.11436	3.7
71.05003	11.9
73.01121	1.9
75.02692	2.2
78.33418	0.9
79.05495	5.9
81.03432	1.0
81.07066	40.1
83.04987	6.9
83.08616	1.8
85.02904	4.1
85.06530	3.8
86.09719	0.9
91.05490	11.4
93.07072	6.4
95.04985	5.9
95.08620	13.4
97.02895	3.1
97.06516	5.7
97.10178	1.8
99.04466	100.0
99.08103	6.6
100.04744	0.9
100.38008	0.9
101.05988	1.2
102.96744	2.9
103.02158	2.0
105.07037	6.8
107.04937	1.5
107.08611	10.7
109.06523	6.4
109.10167	9.8
111.08076	2.3
113.05994	1.2
115.03937	4.3
115.07546	1.5
116.98306	4.2
117.07001	1.1
118.99905	1.6
119.04941	8.6
119.08618	6.0
121.06516	0.9
121.10172	8.2
123.04420	1.8
123.08086	17.4
123.11715	9.7
125.06013	2.0
125.09623	1.7
127.07580	7.3
127.11217	7.0
133.10117	3.3
135.08023	1.1
135.11656	0.9
137.09622	3.4
137.13258	5.9
139.11063	1.0
140.02272	0.9
141.09128	6.1
145.10112	1.4
147.04449	6.2
147.08069	1.6
147.11690	6.4
149.02382	1.4
149.09636	4.9
151.07561	3.3
151.11185	7.7
157.03903	1.1
161.13203	4.7
163.11221	2.8
165.09114	1.0
165.12752	7.2
167.10634	1.4
171.11681	1.6
175.03902	10.4
179.14308	3.0
181.12315	1.4
183.13800	3.7
183.83502	0.8
189.12761	11.5
192.04182	3.0
193.05037	1.4
207.06528	12.8
207.13792	10.9
225.14885	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	225.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	3.8
69.90421	2.6
69.90818	1.7
81.07053	0.9
82.99861	1.8
84.08144	1.5
84.96036	5.4
86.74016	0.8
91.05360	0.8
98.97575	3.7
101.00891	18.0
102.97018	1.0
103.69468	0.9
116.98667	3.3
119.01933	73.0
120.01988	2.3
134.99899	4.7
137.02965	18.5
140.98811	1.6
142.03523	12.8
153.00945	1.4
158.99860	7.6
160.04564	5.7
161.02998	5.5
175.03003	2.1
177.00967	100.0
177.93396	1.5
178.01077	5.8
178.94243	1.1
179.00653	1.7
179.04015	9.0
182.99782	3.2
184.04584	2.0
193.04146	1.4
195.02019	1.2
195.94563	1.0
196.52237	1.0
201.00809	10.8
201.02501	4.4
202.02675	1.6
202.05670	2.7
203.03903	1.0
217.04095	12.3
219.02011	94.8
219.94508	3.0
220.02122	8.5
225.00896	3.2
227.99974	1.0
237.95596	2.7
242.03647	2.2
242.96416	1.1
242.99751	0.7
243.01967	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	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02376	1.0
53.03929	1.1
55.01851	1.8
55.05501	3.3
57.03427	1.6
57.07058	1.4
58.97543	0.8
58.99573	2.1
59.04963	0.8
65.03934	4.3
67.05491	3.3
69.03405	2.2
69.07058	3.3
69.54769	5.2
70.99580	1.2
71.04985	2.5
73.01122	2.7
74.42377	0.8
75.02702	1.0
77.03950	1.7
79.05488	4.4
81.03436	1.6
81.07064	9.1
83.04982	6.7
83.08611	1.0
84.04516	1.1
84.08128	1.4
85.02912	3.2
85.06542	1.7
89.03893	1.5
91.01417	0.7
91.05486	60.1
93.07063	4.1
95.04990	6.0
95.08621	6.5
97.06517	4.5
99.02628	0.8
99.04459	13.6
99.08101	1.7
101.03912	0.9
102.96735	3.2
103.02148	1.7
103.05455	2.7
103.97488	1.1
105.03386	2.7
105.07021	5.3
107.04939	2.1
107.08601	4.9
108.05737	1.2
109.06518	3.3
109.10149	3.5
111.08113	1.8
116.98314	6.4
118.04150	7.7
118.99885	2.1
119.04947	61.7
119.08605	3.8
121.02870	1.5
121.06490	1.9
121.10178	4.7
123.04433	3.6
123.08078	16.0
123.11671	3.1
125.06017	4.0
125.09614	1.5
127.07506	1.0
129.03384	2.0
132.02060	5.1
133.02858	1.8
133.06558	0.8
133.10141	2.7
135.04407	2.2
135.08069	1.9
135.11732	1.1
136.05194	2.4
137.00900	1.4
137.05977	1.0
137.09586	1.8
137.13240	1.8
140.04712	0.9
145.02856	2.1
145.10126	1.5
146.03619	1.6
147.04414	53.3
147.07979	1.2
147.11687	2.7
149.02351	10.1
149.09618	2.8
151.07549	5.2
151.11221	2.5
153.09152	0.7
155.06992	1.5
157.03969	4.8
161.09630	0.8
161.13240	3.3
162.03008	1.1
163.03917	1.8
163.11198	5.8
164.04727	7.1
165.09097	0.9
165.12823	1.3
167.10690	0.9
171.11766	1.1
174.03192	1.0
175.03912	84.3
177.01871	3.8
179.07021	4.9
179.14223	0.9
181.12222	2.5
183.06526	3.0
189.12733	4.0
192.04185	30.3
193.04868	1.4
207.06535	100.0
207.13788	5.1
208.06889	1.2
225.00705	0.8
225.07327	0.9
225.11151	0.8
225.14842	10.0
225.16847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	23.8
55.05519	1.9
56.05045	1.1
56.21766	0.8
56.29490	0.8
56.96570	11.2
59.06106	1.3
60.04503	1.3
69.03432	1.8
69.07076	1.1
70.06606	1.6
70.23065	3.2
72.08157	3.2
74.00671	68.0
74.06087	1.3
76.03999	2.7
78.96786	11.7
83.06099	1.9
83.44282	0.8
84.04033	1.7
84.04511	20.4
84.08146	7.2
84.96045	8.5
85.02922	2.5
85.04034	31.3
86.09722	2.3
91.05509	1.0
91.77496	0.8
92.01709	11.5
97.02911	1.1
98.97606	7.1
102.97080	1.2
110.07172	1.7
112.03974	23.5
113.03505	10.0
116.98604	4.2
119.01916	3.8
120.02035	1.2
122.00967	34.1
126.98177	0.8
129.06615	1.3
129.10254	2.8
130.05014	100.0
131.02937	1.1
131.04543	25.6
131.05519	1.4
133.01654	1.9
134.99701	1.2
136.06197	1.0
137.03011	1.2
142.03537	1.4
146.97928	0.8
150.05544	1.0
155.00237	0.8
160.00687	5.2
163.64597	0.9
164.98811	0.9
172.95253	1.4
173.01230	1.3
177.03307	84.1
179.03943	1.0
181.14554	0.9
182.99715	5.1
183.11391	0.7
201.00760	7.1
202.03857	2.0
208.00955	6.7
219.01761	1.5
225.03763	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	225.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49364	3.4
53.03940	5.4
55.01877	8.4
55.05516	17.6
57.03449	20.3
57.07079	9.0
58.99597	5.3
59.05021	8.5
59.96741	5.0
60.16525	3.2
61.01143	5.9
65.03925	5.4
65.65195	3.1
67.05508	21.8
68.83011	3.8
69.03433	12.6
69.07067	15.8
70.06599	5.2
71.04984	20.6
71.54204	3.9
71.54601	3.6
72.08167	7.2
73.01152	55.4
75.02707	39.1
79.05513	16.3
81.03453	4.2
81.07065	33.4
83.04988	38.9
83.08610	8.4
84.08143	15.2
85.02912	14.3
85.06539	4.3
86.09717	15.1
87.04501	3.5
89.00629	6.4
91.02204	18.9
91.05493	61.3
93.07053	27.7
95.04977	29.0
95.08603	24.8
97.02874	4.6
97.06535	38.9
99.04465	29.3
99.08112	3.5
101.00591	4.7
102.96777	6.6
103.02180	58.4
104.98283	5.5
105.03413	10.8
105.07046	24.1
106.99895	5.6
107.04990	7.9
107.08604	30.7
109.06542	17.9
109.10137	18.1
110.07166	5.5
111.08094	10.5
116.98312	50.0
117.07048	5.2
118.04166	4.3
118.99868	66.6
119.04955	47.3
119.08608	28.2
120.08092	3.9
121.02783	4.4
121.06491	8.6
121.10152	35.3
122.99426	6.4
123.08080	100.0
123.11715	14.9
125.06019	23.3
125.09651	4.6
127.03960	3.7
128.18658	4.0
129.10262	4.8
130.05016	3.9
131.08572	6.5
133.06520	3.5
133.10138	7.7
134.99376	21.2
135.08076	9.9
135.11722	7.5
136.00183	6.9
137.05972	6.9
137.09610	19.5
139.11201	4.2
141.09071	3.8
145.10162	5.8
147.04425	31.3
147.11691	14.7
149.02350	6.3
149.09624	33.2
149.52460	3.6
151.07530	20.5
151.11172	16.1
153.05527	6.2
156.09367	8.0
161.09676	5.0
161.13266	14.4
163.11189	61.6
165.09164	9.8
165.12799	10.3
167.10599	6.6
169.08636	4.2
171.11734	11.6
174.10500	4.9
175.03911	61.9
179.07031	6.4
179.14320	7.7
181.12248	20.5
183.06618	4.5
189.12750	89.7
192.04198	22.2
207.06541	82.1
207.08406	5.8
207.10019	4.9
207.13837	89.4
207.15744	6.9
225.09422	4.6
225.14824	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	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03931	3.7
55.01870	7.3
55.05267	1.4
55.05511	17.8
56.96563	2.8
57.03427	4.2
57.07058	5.3
58.99568	1.4
61.01123	1.7
65.03927	3.2
65.21738	1.1
67.05508	53.7
69.03416	2.4
69.07069	18.1
71.04974	5.0
71.07842	2.4
71.08627	1.6
73.01121	5.0
76.46226	1.2
79.05494	45.3
81.07061	45.8
83.04957	5.1
83.08628	9.1
85.01107	2.9
85.02862	1.4
85.06533	4.1
85.10156	1.3
91.04960	2.0
91.05481	23.8
93.07047	100.0
95.04971	7.3
95.08609	42.0
95.09589	1.1
97.06515	8.9
97.10149	4.0
98.98476	1.8
99.08070	2.5
104.98335	2.4
105.07028	11.2
106.97887	2.2
107.04907	1.6
107.08598	50.1
109.06491	2.9
109.10161	25.6
111.02689	2.2
111.08096	6.3
113.04218	4.8
113.05961	3.0
113.09648	3.3
116.98316	1.6
117.07018	5.9
119.08583	8.9
121.06522	7.7
121.09322	2.4
121.10154	40.1
123.08057	5.2
123.11737	6.3
125.00887	2.5
125.05933	2.2
125.09635	2.5
129.06995	1.9
131.08582	15.7
133.10097	6.0
135.08058	19.7
135.11702	9.2
137.09598	3.2
139.07506	4.0
139.11157	1.6
142.99925	1.7
144.00650	1.8
145.10126	11.8
147.11670	3.2
149.02350	11.2
149.05823	1.2
149.09616	12.8
149.13280	2.4
153.09109	7.2
155.08455	1.1
159.11702	5.5
161.13271	4.0
163.11156	5.3
163.14830	52.0
167.10661	4.3
175.52483	1.3
177.12735	2.6
177.16411	13.5
179.14259	1.5
181.12160	3.0
187.14828	17.7
205.12143	1.7
205.15874	24.9
223.05949	2.1
223.11111	2.0
223.13239	4.8
223.15091	2.4
223.16917	42.6
225.04337	7.7
227.02286	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03947	4.0
55.01874	5.5
55.05518	12.7
56.05036	4.2
57.03426	4.0
59.04998	4.8
59.99660	2.1
61.02952	2.3
62.18857	2.1
65.03949	2.4
67.05511	11.9
67.52671	2.2
69.03445	13.9
69.07067	12.4
69.38216	16.5
70.06593	6.3
71.04995	4.9
72.08146	6.4
73.04787	2.6
79.05497	15.5
81.03436	10.7
81.07072	14.4
83.05000	22.0
83.06111	3.5
84.08157	20.4
85.02916	15.6
85.06522	5.4
86.09715	18.3
88.03986	3.6
91.05491	26.2
93.07047	34.5
95.04977	25.6
95.05981	2.3
95.08598	13.1
97.02881	4.4
97.06539	4.8
97.10175	5.5
103.05476	5.5
105.07034	30.5
107.04964	8.2
107.08614	32.0
107.99410	9.8
109.06543	31.5
109.10175	7.9
110.07153	6.3
111.04433	6.3
111.08079	9.5
113.00373	32.2
113.06000	9.7
115.05466	5.0
117.07012	10.4
118.17601	2.3
119.08591	23.7
119.99390	4.7
120.08110	4.9
121.02839	2.8
121.06526	50.8
121.10155	27.0
123.04446	3.7
123.08079	16.0
125.06056	2.2
129.06979	3.6
129.10283	14.6
130.05000	2.1
131.04807	2.7
131.06853	3.6
131.08568	9.4
132.97528	8.9
133.06514	3.0
133.10129	17.8
135.08067	36.8
135.11697	13.0
137.05974	4.2
137.09607	15.4
139.07568	9.0
139.11275	3.7
144.09282	3.9
145.06493	8.5
145.10141	13.3
146.07220	2.8
147.08047	6.7
149.01256	4.0
149.02330	12.7
149.05997	6.9
149.09639	100.0
149.13248	5.9
150.96869	3.1
151.11201	9.8
159.08066	3.5
159.11710	20.5
161.09625	22.9
163.07538	6.9
163.11215	23.3
165.09154	17.4
167.07051	7.1
172.08818	5.5
175.11206	4.3
177.03362	4.4
177.07545	5.0
177.09093	3.6
177.12778	31.7
178.13368	4.0
179.10701	19.2
181.12219	5.0
187.11235	12.7
191.07130	3.8
193.12204	3.8
195.10181	10.4
205.12257	54.0
222.98807	3.9
223.05949	4.7
223.11169	4.7
223.13307	73.2
223.15424	4.2
223.16898	3.6
225.04352	17.1
227.02238	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	223.133
Annotation	Annuionone B
Peak:m/z	Relative Intensity
53.03938	3.1
55.01860	4.3
55.05310	1.6
55.05514	18.5
57.03431	4.6
57.07073	3.3
59.04986	7.0
65.03933	2.0
66.46005	1.6
67.05515	10.6
67.28194	1.6
69.03423	13.5
69.07075	14.1
69.44817	2.8
69.45225	10.3
70.06583	2.9
71.04982	7.1
72.08151	6.3
76.13899	1.4
79.05503	11.7
79.65694	1.7
81.03407	6.2
81.07069	9.4
83.01321	5.9
83.04983	16.2
83.08593	2.5
84.07045	1.6
84.08154	12.9
85.02914	27.7
85.06539	3.3
86.09712	5.7
89.06041	8.7
91.05483	16.2
93.07053	34.4
95.04961	15.7
95.08608	13.0
96.08256	1.4
97.02912	3.9
97.06538	5.2
97.10187	11.2
98.20758	3.4
99.04479	2.9
101.05986	2.0
103.05531	2.2
105.07038	14.3
107.04935	3.8
107.08602	16.9
109.03667	1.7
109.06506	14.1
109.10159	8.0
110.07171	3.6
111.04429	2.3
111.08086	11.6
113.06027	4.2
117.07031	9.1
119.08584	14.8
120.08111	2.8
121.06513	40.1
121.10162	16.1
122.07259	2.1
123.08073	14.4
125.05977	2.3
125.09585	2.7
129.07062	3.7
129.10237	6.6
130.06528	3.2
131.06911	11.9
131.08514	4.2
133.10109	14.8
135.08072	22.3
135.11694	13.7
137.05946	2.9
137.09627	15.1
139.07542	12.2
139.11200	1.8
141.09079	2.4
143.08534	2.4
144.09332	5.6
145.06430	1.9
145.10147	14.6
147.08020	7.2
149.02374	7.5
149.05992	5.5
149.07909	4.3
149.09639	37.0
149.13263	3.7
151.11165	4.6
153.05493	1.7
153.09077	6.0
159.06433	3.9
159.08020	3.0
159.11708	19.3
161.09618	11.5
163.07527	3.0
163.11188	27.8
165.09128	63.1
167.07069	7.4
168.15651	1.8
172.08852	2.5
175.11169	2.8
177.07414	13.9
177.09088	6.0
177.12752	24.4
179.10674	7.8
181.08618	2.0
181.12206	5.0
187.11111	11.3
193.93030	1.6
195.13853	5.1
205.08784	2.3
205.12250	46.8
223.06078	3.2
223.13295	100.0
223.16829	3.5
225.04271	11.3
227.02119	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	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03958	4.6
55.01861	11.4
55.05504	7.8
57.03447	2.3
57.07071	5.6
59.04990	5.8
59.68901	2.0
67.05504	18.1
69.03123	2.9
69.03436	27.5
69.07069	10.5
70.06595	7.0
71.04984	4.6
71.27934	3.4
71.28265	3.1
72.08147	3.2
79.05502	15.8
81.03416	5.0
81.07068	13.4
83.04984	27.4
83.08606	2.8
84.08128	6.3
85.02914	4.9
85.06544	3.3
86.09706	7.6
91.05477	45.7
93.07048	100.0
95.04980	31.9
95.08609	9.8
97.02904	12.8
97.06545	11.0
99.04460	3.8
101.06049	2.3
103.05488	5.6
104.33090	2.1
105.03341	3.2
105.07020	27.1
107.04969	4.4
107.08596	34.0
109.06519	17.3
109.10132	7.7
111.04426	4.4
111.08092	11.4
113.06021	5.0
115.05450	5.1
117.07010	14.2
119.04958	2.2
119.08575	24.5
119.38556	2.2
120.08110	9.0
121.06508	92.3
121.10147	31.3
123.04371	2.8
123.08077	7.8
123.11706	4.6
123.81988	2.1
125.06027	3.3
125.09628	4.4
127.07564	8.2
129.07010	6.6
129.10281	3.9
130.07744	2.6
131.06871	3.0
131.08557	12.2
133.06520	3.8
133.10136	14.6
135.04416	4.2
135.08072	19.0
135.11684	8.7
137.05937	3.6
137.09610	9.3
139.07529	18.1
139.11230	2.5
143.08533	2.7
144.09329	6.7
145.06488	5.0
145.10144	17.0
146.68602	2.1
147.08060	10.7
147.11734	3.4
149.02345	8.5
149.05991	7.1
149.09630	49.7
149.13217	4.1
151.11205	3.4
153.09123	14.0
155.10696	2.7
157.10146	7.3
159.08055	3.8
159.11696	31.5
161.09608	11.8
161.45784	2.1
163.03862	2.4
163.07536	4.4
163.11191	20.2
165.09126	8.7
165.44287	2.1
166.91417	2.2
167.07060	4.4
169.10069	3.2
172.08832	5.1
175.11143	20.5
177.12653	16.9
177.14063	3.0
179.10674	13.1
181.12386	3.8
187.11174	22.9
193.12289	5.3
195.13834	3.0
205.08473	3.0
205.12061	27.6
223.06006	17.3
223.09590	2.4
223.11359	6.1
223.13228	56.7
224.13690	2.7
225.04312	14.6
227.02173	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	223.1079
Annotation	Phe-gly
Peak:m/z	Relative Intensity
55.05520	0.2
61.07061	0.2
62.34286	0.2
69.74069	1.4
70.06595	0.5
72.08167	0.5
79.05505	0.3
82.06580	0.2
84.08134	0.4
84.83289	0.2
86.09724	0.5
91.05474	0.6
93.07076	0.7
98.21447	0.4
103.05470	3.3
107.04935	1.2
110.07188	0.4
120.08109	100.0
121.08437	0.7
129.10229	0.4
131.04942	1.6
149.02348	0.6
149.05981	1.7
166.08646	31.4
167.08977	0.3
177.10231	9.8
188.00511	0.2
193.55934	0.2
205.09726	0.4
223.10884	1.2
223.33650	0.3
225.04233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02390	2.0
53.03952	52.8
55.01872	12.8
55.05512	9.0
56.96571	2.7
57.03437	1.9
57.07065	3.8
60.24386	1.5
64.62619	1.4
65.03938	4.0
67.05511	63.8
68.41209	1.4
69.03442	3.4
69.07069	9.3
69.81033	2.6
69.81381	7.3
70.47665	1.5
71.01369	2.9
71.05008	7.5
73.01167	8.1
76.71255	1.3
77.03904	1.7
78.53498	1.3
79.05067	2.7
79.05500	41.3
79.97224	1.4
81.03425	100.0
81.07064	78.3
83.04985	13.1
83.08621	5.1
85.01134	1.7
85.02892	2.3
85.06557	3.2
91.05482	26.2
93.06485	1.6
93.07056	39.7
95.04977	25.9
95.08616	43.3
97.06532	4.9
99.08104	1.9
103.05449	3.8
104.98372	1.7
105.07038	18.5
106.97881	1.7
107.04970	31.7
107.08588	15.7
109.06506	6.4
109.10157	2.7
111.02671	4.4
111.04454	1.9
111.08071	6.5
113.04195	1.6
114.27255	1.5
115.05470	2.0
117.07027	18.1
119.04958	1.5
119.08594	4.7
121.06511	13.4
121.10156	6.8
123.04460	1.5
123.08076	28.7
125.06023	3.1
126.86468	1.7
128.06216	1.6
129.07014	2.0
131.08582	12.9
133.06494	3.5
133.10120	5.9
135.08047	5.6
135.11705	20.0
139.07526	2.8
141.07007	9.0
143.08537	2.6
144.00591	1.8
145.06519	20.3
145.10117	6.5
149.02357	15.9
149.04498	1.6
149.09686	1.7
149.13243	4.9
149.93834	1.4
154.07722	3.0
157.10046	1.8
159.07993	2.1
159.11694	18.2
163.11214	5.3
165.06876	1.4
165.09171	2.1
169.10155	10.1
177.12749	6.2
187.11249	7.5
205.12254	4.0
223.06023	3.4
223.11327	2.9
223.13321	6.2
223.16853	2.5
224.12920	2.0
225.04321	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	223.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22090	0.4
55.01855	0.9
55.05516	5.7
56.96544	0.6
57.07061	1.1
58.99559	1.5
59.04977	0.7
61.01151	2.9
65.03900	0.5
65.99429	0.4
67.05498	2.9
69.03407	0.8
69.07056	1.2
69.51392	1.9
69.51798	0.8
71.06123	16.8
72.04516	2.3
73.01146	39.2
75.02669	1.4
76.02241	1.0
77.00204	0.8
77.00632	14.9
78.96767	0.9
79.05459	1.9
81.03403	1.2
81.07069	2.5
81.07436	0.5
83.04959	1.3
83.08620	6.8
84.08118	0.5
85.01137	0.5
85.02908	0.6
86.06076	2.5
88.03466	0.6
89.00620	3.6
90.01396	5.1
90.26129	0.4
91.05486	1.2
92.98338	0.9
93.07050	2.0
95.04958	2.1
95.08588	1.3
97.02908	0.4
97.06512	1.1
98.97581	0.7
100.07642	2.7
104.98323	4.0
105.06995	1.4
106.99885	19.2
107.08584	1.8
109.06487	1.2
109.10177	0.9
110.90810	0.4
110.93954	0.8
110.98679	0.4
111.02652	1.1
111.08011	0.5
115.05756	1.3
116.98366	0.4
117.07395	2.2
118.03248	46.5
119.08587	0.9
121.02875	0.5
121.06494	0.8
121.10156	1.3
122.99356	10.4
123.08063	0.6
125.05971	0.6
125.09624	0.6
129.77776	0.4
130.03256	3.0
131.08534	0.7
133.10129	0.6
135.02983	46.9
135.08028	1.0
135.11699	0.9
137.09583	0.7
139.07584	0.7
139.76701	0.4
143.08463	0.5
145.10144	1.6
146.06337	0.8
147.05876	100.0
149.02325	4.5
152.05629	4.1
152.98019	0.4
159.11757	1.0
161.09789	0.4
163.11188	2.8
167.07126	1.1
177.12804	1.0
184.45758	0.4
187.11290	0.7
205.12314	1.7
206.06691	2.0
222.97337	0.6
223.06065	0.9
223.09406	14.4
223.11278	1.4
223.13344	2.9
223.15221	0.7
223.16983	1.3
223.18935	1.3
225.04338	2.6
227.02299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68452	1.6
53.03926	2.0
55.01862	3.9
55.05273	3.5
55.05518	58.9
57.07059	5.7
58.99583	5.6
59.05003	3.4
61.00884	1.9
61.01158	30.6
67.05180	1.8
67.05510	26.7
69.03418	4.4
69.07084	12.5
70.06585	2.4
71.04980	2.1
72.00317	2.8
73.01150	10.2
75.02692	6.2
79.05492	20.9
81.03374	3.3
81.07066	29.9
83.04958	6.5
83.08143	3.8
83.08625	63.3
84.08147	2.2
85.01117	5.1
85.02905	2.2
85.06501	2.0
89.00140	2.6
89.00626	37.6
90.01405	56.3
91.05466	11.0
93.07047	37.2
95.04972	11.0
95.08611	22.4
97.02925	2.5
97.06525	2.8
97.10139	2.2
102.96745	1.9
104.98322	41.2
105.07014	6.9
107.01644	5.6
107.04946	3.8
107.08614	22.6
109.06499	3.5
109.10168	13.3
111.04424	2.4
111.08085	4.5
115.05814	14.6
116.98286	4.9
117.07380	25.6
119.08581	4.5
121.06489	6.5
121.10155	20.6
122.99361	100.0
123.08004	2.3
123.11705	3.2
125.05991	3.0
125.09679	2.9
131.08565	7.8
133.10075	2.2
135.08089	9.9
135.11673	7.0
137.09596	2.8
137.70140	1.9
139.07497	3.6
144.00578	2.2
145.10104	6.8
149.02327	17.5
149.06055	2.2
149.09605	10.6
153.09093	3.5
159.11717	3.2
163.03882	2.4
163.07518	2.7
163.11240	3.0
163.14828	16.8
167.10713	3.7
177.12862	2.2
177.16428	6.9
187.14851	6.5
193.10089	2.1
205.12135	3.0
205.15941	11.0
208.12503	1.9
222.97244	4.8
223.06094	3.3
223.08075	3.6
223.11264	4.2
223.12973	8.9
223.16827	17.0
225.04211	9.3
227.02229	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	222.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05510	1.7
56.05031	1.0
56.96569	10.1
57.03445	6.7
58.06598	2.7
58.99593	4.7
59.05006	1.0
60.04526	1.9
61.01155	4.7
61.04842	0.6
69.03426	0.7
69.07072	0.7
70.06601	7.9
71.53779	0.8
71.54191	0.9
72.08150	2.9
73.01173	1.0
73.02930	1.2
76.20015	0.6
77.17235	0.7
78.03783	2.7
84.04520	1.7
84.08147	5.7
84.48309	0.6
85.02913	10.2
86.06075	100.0
86.09708	2.1
86.99075	5.3
87.10044	0.8
89.00621	4.3
95.04951	0.9
97.02914	0.9
98.06091	1.4
98.52348	0.6
98.97606	2.7
99.02693	2.5
100.07624	9.4
102.05579	3.9
103.02229	3.3
103.03951	64.2
103.13984	0.6
105.00111	4.3
110.07159	0.9
116.05339	0.9
116.07128	3.0
116.98643	1.9
117.03712	8.1
119.01727	1.9
120.04814	25.3
120.08106	1.1
126.05487	0.6
128.98611	1.0
129.10281	2.5
130.06505	1.0
132.04674	1.3
133.03233	0.8
133.04813	0.7
134.06395	0.7
136.07579	0.8
146.99719	0.8
148.07526	0.6
155.04709	1.8
156.97543	2.7
158.06125	1.0
158.08151	1.5
158.09392	0.8
158.60916	0.6
158.99542	0.9
159.06355	1.7
163.04242	21.4
174.98581	2.6
176.03957	1.4
176.07422	9.8
176.08990	2.1
180.06970	0.9
198.97038	0.8
198.98993	0.9
204.06679	0.8
204.10321	0.7
216.99910	2.8
222.04404	3.2
222.07790	3.4
222.11423	2.0
222.15652	0.9
225.04411	1.3
225.09868	0.7
240.05486	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	222.0763
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.01868	0.6
55.05518	0.6
56.96566	1.1
63.02409	0.4
67.05511	0.9
69.07073	0.5
69.79065	0.9
69.79474	1.2
70.06584	0.5
70.42410	0.3
75.37110	0.4
79.05499	0.7
80.72961	0.4
81.07063	1.3
84.08138	1.4
85.02904	0.6
86.09711	0.8
91.05488	1.0
93.07069	0.5
95.04945	0.7
95.08611	0.5
97.02877	0.5
98.97588	4.0
103.05471	0.9
104.05005	0.4
105.07025	0.7
106.06526	0.4
107.08627	1.2
109.06556	0.6
110.01286	0.5
110.97546	0.6
116.98682	1.9
118.06574	0.9
119.07342	0.6
119.59442	0.4
120.08118	13.3
121.10117	0.5
123.08104	0.4
128.02357	0.4
129.10257	0.7
130.06534	100.0
131.06862	1.1
132.03447	0.9
132.04454	16.6
133.06465	0.4
134.09660	3.1
135.07964	0.4
146.05997	0.7
148.07578	28.0
152.93829	0.4
158.06023	29.8
158.99655	1.4
161.02780	0.5
162.09047	0.4
164.07091	1.0
170.89061	0.4
171.05077	0.4
176.07079	83.3
176.10497	1.7
177.00708	1.3
177.07413	1.2
178.08672	0.6
179.24016	0.4
180.10228	0.6
194.05219	0.5
204.06580	2.2
222.07683	5.3
222.11139	2.5
223.05995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
50.82111	0.5
55.05518	1.8
56.96574	3.9
65.73187	0.5
68.78748	0.5
69.03451	0.6
69.96489	2.2
70.06588	1.7
71.04981	1.1
73.06561	0.9
74.02459	1.0
75.02706	13.0
75.03089	0.9
81.07090	0.7
82.02943	2.3
84.04507	3.5
84.08157	0.6
85.02927	0.6
86.09711	0.5
91.28546	0.6
92.05353	0.6
94.06577	3.4
98.97591	5.2
104.03118	0.7
107.08590	0.6
108.58094	0.6
110.07191	1.1
110.97572	0.6
115.05474	1.3
116.98644	1.8
119.01855	0.8
120.08090	1.5
128.98589	0.9
130.06532	73.7
131.06915	1.1
132.04462	44.2
137.05940	0.9
146.04060	0.6
148.07558	2.7
155.04674	8.1
155.54764	0.6
156.06755	0.8
157.05731	0.8
157.07623	37.4
158.06024	80.7
158.99777	1.5
164.05199	2.0
175.08682	100.0
176.07036	2.2
176.09148	0.9
177.00774	1.4
186.05489	2.2
198.98558	0.7
203.08173	15.2
204.06522	4.6
221.09221	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	221.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91748	0.4
55.05511	0.5
56.05040	2.9
56.96575	4.8
57.03443	0.7
60.04529	0.8
60.95860	3.1
61.01162	1.3
61.02926	0.9
63.33640	0.4
68.36411	0.5
69.03438	0.9
70.06585	1.5
70.19921	2.2
72.08167	1.3
72.24543	0.5
73.02914	1.6
73.96765	0.4
74.02448	0.8
74.06097	0.8
82.02953	2.2
84.04522	1.1
84.08163	1.9
85.02921	1.4
86.09702	0.8
94.06572	4.6
95.05042	0.6
97.02927	0.8
98.97567	3.8
101.00869	1.1
103.05479	0.5
104.05368	2.5
110.07178	2.0
110.97630	0.8
115.05525	0.5
116.98627	1.4
119.01903	1.3
120.08134	1.1
121.01637	0.8
127.08648	0.7
128.98640	0.9
130.06544	65.2
131.01888	0.6
132.04466	43.0
133.03265	1.8
133.04868	0.5
134.99576	0.5
136.07582	1.0
143.01888	0.8
147.09154	0.7
148.07574	3.2
149.01253	1.0
150.05814	4.3
150.97180	0.7
156.06746	0.6
157.07639	24.5
158.06030	77.5
159.06392	1.3
161.02779	0.7
168.98239	1.2
173.02905	0.6
173.09319	0.5
174.98537	1.1
175.08690	100.0
176.07080	1.8
176.09059	0.9
186.05499	2.5
188.05910	0.5
192.98308	0.7
193.00095	0.7
193.02002	1.2
193.03734	0.5
203.02167	0.7
203.08226	3.6
204.06540	4.7
205.52779	0.5
210.99303	1.3
220.63737	0.5
221.09245	17.7
221.15294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03949	0.5
55.01870	1.2
55.05520	1.4
58.06601	6.1
58.99590	6.2
60.99160	0.7
61.01156	13.3
65.03927	1.0
67.05495	2.6
69.07075	7.2
70.06598	23.0
70.12274	2.0
70.99583	1.7
71.06122	15.5
72.04523	4.6
73.01134	2.0
75.00723	0.7
76.02235	1.2
77.00192	0.9
77.00634	14.7
79.05502	2.1
81.07057	1.9
82.06598	0.5
83.08611	0.8
84.04527	1.2
84.08115	0.6
85.02949	0.5
86.06069	4.3
87.02699	1.6
89.00632	1.0
90.03804	0.5
91.05491	1.8
92.98328	5.3
93.07034	1.9
95.04978	0.6
95.08621	1.7
97.06559	0.9
98.06115	0.6
99.02678	2.3
100.07613	4.1
101.02271	2.2
101.04281	0.8
102.96792	0.7
104.98322	100.0
105.07035	2.6
107.08611	1.4
109.06525	1.1
109.10162	0.8
110.00971	1.0
111.09207	1.0
112.04030	0.9
112.07608	10.2
113.04211	0.9
114.03753	2.5
115.08692	0.7
116.05341	0.6
116.07081	1.6
116.09487	0.9
116.98322	6.4
117.07003	0.7
118.03248	47.5
118.04930	4.3
119.08584	3.5
121.06519	1.2
121.10139	1.4
123.02625	0.5
123.08082	0.8
124.03434	1.1
129.03735	2.6
129.06931	0.6
130.03220	2.0
132.97792	0.9
133.01424	36.8
133.10123	1.8
134.00969	1.3
137.09602	0.9
144.04778	3.8
147.05879	74.8
150.04077	10.7
152.02003	1.1
157.01411	1.2
161.09641	1.1
161.13258	1.9
164.01894	0.9
165.09149	1.3
175.11230	0.6
175.14812	1.0
179.10643	0.7
192.05135	0.5
193.15901	2.5
203.14221	1.4
203.17917	0.6
204.05092	4.3
206.10973	0.6
206.16263	0.8
220.97603	7.4
221.07785	28.4
221.11536	1.2
221.13533	0.9
221.15346	3.7
221.18602	0.7
224.65451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.5
57.07074	5.8
58.99580	6.6
61.01146	13.4
67.05508	16.2
69.07069	22.2
71.16481	7.9
73.01147	46.2
75.02711	7.9
79.05502	11.8
81.07066	23.1
81.12794	3.0
83.08629	12.7
85.01123	5.8
87.02708	9.3
91.05497	5.2
93.07073	6.0
95.04966	17.5
95.08615	11.0
97.01115	4.5
99.02670	12.8
103.05798	12.4
104.98322	34.6
105.07043	9.2
107.08604	7.0
109.06564	6.9
109.10152	8.9
110.20480	3.2
112.03491	6.9
113.04236	15.1
114.05034	10.2
115.05804	14.1
117.07342	3.8
119.08584	8.1
121.06512	7.6
121.10227	5.7
123.08070	3.5
133.10109	6.5
135.08040	4.0
137.05991	23.9
145.01416	8.0
147.02989	27.0
147.08081	3.3
147.94720	3.9
161.13304	4.0
165.05510	3.3
165.09178	3.6
180.92744	3.2
191.08536	4.7
206.10966	11.4
206.16226	10.3
220.95808	6.3
221.04836	12.6
221.13275	22.3
221.15399	100.0
221.17714	5.9
221.18633	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	221.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38122	2.7
51.24462	3.1
53.03949	5.1
53.36990	3.2
55.05496	9.3
57.07059	3.0
58.99589	44.7
61.01149	32.2
64.34076	2.9
67.05489	12.4
69.03433	3.4
69.07047	11.4
71.54917	4.1
73.01144	43.2
79.05497	24.1
81.07055	77.0
81.77293	3.3
83.08610	14.1
85.01120	6.1
87.02699	20.4
91.05449	6.8
93.07046	19.5
95.08573	9.4
99.02625	4.6
100.38274	3.6
101.04240	6.1
104.98317	100.0
105.07014	12.2
107.08586	13.5
109.10152	6.4
113.04242	16.5
115.05795	100.0
119.08563	13.3
120.78635	3.5
121.06565	3.6
121.10152	19.4
123.04440	4.4
123.08092	5.8
126.50900	3.4
133.06438	4.2
133.10149	7.8
147.02968	70.8
147.11755	3.4
147.94702	3.1
161.13242	6.1
165.05482	3.3
175.14709	4.4
176.08080	3.8
193.59328	3.1
203.14337	4.0
203.18097	3.4
206.16174	8.5
221.04553	3.5
221.07875	6.5
221.11707	7.8
221.15359	20.5
221.18216	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	221.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66539	2.5
53.03926	4.3
55.05494	10.3
56.96568	5.6
57.07054	3.5
58.99586	39.4
61.01156	31.3
67.05505	12.9
69.07075	17.4
70.99578	6.1
73.01150	43.1
79.05490	21.1
81.07063	75.0
82.07802	2.6
83.04963	2.6
83.08606	10.7
85.01110	3.6
87.02703	21.7
91.05441	4.9
93.07043	6.7
95.04947	2.8
95.08607	5.0
98.97617	3.0
99.02711	2.6
101.04258	5.4
103.54214	2.4
104.98324	96.0
105.07019	11.4
107.08589	9.5
109.06541	4.7
109.10143	5.2
110.68464	2.4
111.02734	2.4
111.08080	5.5
113.04256	16.9
114.05029	4.5
115.05800	100.0
116.98343	3.6
118.97822	2.6
119.08590	11.3
121.06479	4.9
121.10205	3.6
123.04495	2.9
123.05458	2.7
123.08087	4.4
129.03711	4.9
133.10121	5.3
137.05949	3.1
137.09587	2.7
147.02977	63.5
147.11662	4.3
147.94659	5.6
161.13274	5.8
165.09158	2.5
203.10901	2.7
203.14362	7.3
206.10915	2.7
206.16145	7.1
221.04535	4.4
221.08017	4.8
221.11578	3.8
221.13466	4.7
221.15378	12.8
221.18390	5.6
227.07513	2.3
236.30313	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05521	7.9
57.07079	2.3
58.99593	40.8
59.37312	1.3
61.01156	31.6
63.35445	1.7
67.05527	8.1
68.48099	1.6
69.07080	11.2
70.06582	2.2
70.99600	2.9
71.54886	1.7
71.55241	1.8
72.00372	1.5
73.01146	44.1
74.01053	1.5
74.46594	1.6
79.05496	18.5
81.07063	66.9
83.04982	2.1
83.08625	13.8
85.01127	3.3
87.02699	22.0
91.05467	2.6
91.87878	1.4
93.07049	3.9
95.04984	2.6
95.08617	3.7
98.75832	1.4
99.02679	3.9
99.96508	1.6
101.04247	5.6
104.98324	100.0
105.07046	5.4
107.08585	3.9
109.06495	2.5
109.10162	4.4
111.02622	1.7
111.08080	2.4
112.03465	2.5
113.04240	19.3
114.05007	5.3
115.05804	97.9
116.98322	3.2
118.04883	1.8
119.08599	5.4
121.06505	1.7
121.10159	2.9
123.08082	2.3
125.57634	1.7
133.10143	2.2
141.03737	1.7
145.01418	3.5
147.02982	71.6
147.08041	1.9
147.94661	2.7
150.97099	1.7
151.07538	2.0
160.12567	1.6
161.09656	1.7
161.13226	3.9
165.09207	2.1
171.90660	1.7
175.14819	2.2
193.15880	2.0
206.16261	4.9
221.04622	2.7
221.07886	2.8
221.11617	2.3
221.13519	2.1
221.15376	6.7
221.18774	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	220.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16122	1.1
53.03947	2.6
55.01879	1.8
55.05508	4.5
56.96561	1.4
57.07071	2.4
58.06593	1.7
58.99331	1.2
58.99591	18.4
59.96727	1.7
61.01156	18.4
65.03934	2.9
67.05505	16.4
69.07073	9.2
70.06590	3.3
70.99575	2.0
71.04974	2.3
71.55016	1.1
72.00356	1.2
73.01150	10.1
79.05497	7.8
81.03403	1.3
81.07056	8.9
83.04984	2.4
83.08617	4.0
85.01122	2.9
85.06568	1.8
87.02695	2.0
87.83996	1.1
89.00629	12.6
91.05472	11.6
93.07050	7.1
95.01362	1.7
95.04981	5.0
95.08620	4.9
97.01105	2.8
97.06530	4.5
101.02252	1.2
101.04247	13.2
102.96725	1.3
103.97514	2.0
104.98340	1.6
105.00104	13.5
105.07039	10.9
107.08595	4.5
109.02861	4.7
109.06532	1.8
109.10168	2.4
111.02692	2.8
111.08067	1.8
112.03483	2.0
113.04198	2.6
116.07093	1.5
116.98314	85.3
117.07014	1.7
118.04903	4.0
119.08574	11.8
121.06504	3.2
121.10143	4.1
123.02637	3.8
123.08036	2.9
123.11723	1.3
124.03455	11.7
125.00900	5.9
126.01042	1.1
129.02811	2.2
129.03716	31.2
131.08589	2.1
131.97015	1.5
132.97781	10.8
133.06567	1.6
133.10170	6.6
135.08055	2.1
135.11673	1.3
137.05965	1.4
137.09589	2.7
141.99055	1.2
143.08595	1.0
145.01407	5.1
145.10179	1.4
147.05824	1.1
147.08028	3.8
147.11684	8.2
153.09111	2.5
157.01437	16.2
157.10150	1.5
159.11636	1.6
161.09625	3.0
161.13254	10.1
165.06943	1.4
165.09106	1.7
175.14838	3.4
177.12733	1.6
179.11043	1.2
185.13300	2.4
193.15860	1.3
203.10817	1.8
203.14304	3.7
203.17932	1.2
204.04964	1.5
204.14642	1.5
205.15910	12.5
206.10982	1.4
206.16246	4.3
220.17946	8.9
220.97615	100.0
221.07951	4.6
221.11777	4.4
221.15309	10.1
221.18710	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	221.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.05506	6.7
58.99326	2.8
58.99594	39.8
61.01155	31.2
67.05496	6.3
69.07078	9.2
70.99593	3.6
71.16010	4.1
71.58478	1.7
72.00362	3.0
73.01147	40.5
79.05499	19.9
79.50684	1.7
81.07060	63.8
83.08623	9.4
85.01138	5.4
87.02695	21.6
89.00605	2.0
91.05479	3.8
93.07059	5.3
95.04998	4.5
95.08607	3.8
99.02680	4.1
101.04247	7.1
102.96769	1.9
104.98325	93.2
105.07043	6.8
107.08611	4.2
109.10146	2.4
113.04251	16.0
114.05030	2.0
115.05804	100.0
119.08611	6.3
121.06430	2.0
121.10162	3.9
129.03760	2.7
133.10153	5.2
145.01434	2.5
147.02986	64.4
147.04153	3.5
161.13242	5.1
175.11205	2.0
175.14848	3.4
203.07211	1.8
206.16223	4.4
221.07687	2.9
221.11597	3.6
221.15465	7.1
221.18732	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	220.976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01868	1.3
55.05500	4.5
55.26969	0.7
57.07065	2.3
58.99590	10.4
61.01151	17.5
61.77912	0.8
65.03928	1.3
67.05516	7.2
69.07072	8.5
70.06582	0.9
70.99581	1.9
71.04985	2.3
73.01148	7.3
79.05496	12.9
81.07060	13.8
83.05006	1.2
83.08601	1.8
85.01130	3.0
85.06536	1.1
89.00623	11.1
91.05480	12.5
93.07047	13.9
95.04969	2.8
95.08617	8.2
97.01099	1.8
97.06511	2.4
99.02692	1.4
101.04252	2.2
103.97505	2.6
104.98298	1.3
105.00095	12.6
105.07039	17.5
107.08593	9.6
109.02867	1.0
109.06533	2.6
109.10139	3.0
111.02664	2.5
111.08057	1.6
112.03428	3.1
113.04240	2.4
116.98309	82.8
117.07018	2.6
119.08591	21.7
121.06490	2.6
121.10139	5.9
123.02647	3.7
123.04337	0.9
123.08025	2.5
123.11757	0.9
124.03442	11.3
125.00892	1.3
125.09628	0.8
127.07518	0.8
128.06210	1.5
128.98238	0.8
129.03737	0.9
129.06985	3.4
131.05081	0.8
131.08571	3.3
131.97008	1.5
132.97780	9.8
133.06467	1.3
133.10126	10.5
135.08052	2.3
135.11673	2.2
137.09616	2.1
140.01604	1.0
141.02005	0.8
143.08556	3.9
145.01419	4.1
145.10106	1.3
147.08051	4.4
147.11693	3.6
151.11281	1.6
157.01408	16.3
157.10143	2.0
159.11661	4.4
159.46246	0.8
161.05954	0.8
161.09631	3.3
161.11967	1.5
161.13260	23.0
161.14597	1.5
165.09103	3.0
173.00974	1.1
175.11160	3.3
175.14845	11.6
179.10611	1.0
185.13290	7.3
193.15919	2.0
203.14345	9.2
204.14604	1.9
205.15897	6.2
206.10941	1.3
206.16243	1.9
220.17813	6.3
220.97607	100.0
221.07829	1.7
221.13428	1.4
221.15372	20.9
221.18715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
54.67368	0.6
55.01872	1.1
57.07084	6.8
59.05012	4.6
67.05511	6.3
69.07082	5.5
70.02956	5.9
71.22218	1.6
72.04524	14.7
73.02927	3.2
74.02442	1.6
76.98424	0.7
78.31452	0.7
83.04977	1.2
85.06551	8.9
86.09719	1.8
87.08121	2.0
90.05563	100.0
95.04988	7.5
96.08140	2.4
98.02426	14.3
100.04008	2.3
103.07600	9.2
105.45984	0.7
111.39493	0.7
113.06023	3.0
116.03471	14.8
120.30434	0.7
124.07596	19.3
131.07152	0.9
142.08673	7.7
156.10245	1.2
160.09737	2.7
166.08678	2.3
174.11276	2.7
184.08403	0.5
184.09706	21.2
202.10770	28.5
205.16002	1.5
220.11821	30.0
220.17906	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
52.22336	0.5
55.78357	0.6
59.67137	0.6
60.04528	100.0
60.60089	0.5
70.02959	0.6
71.28162	0.8
71.28511	0.6
86.09709	66.5
87.05583	3.8
98.97598	1.4
111.24168	0.6
116.98656	0.8
128.10724	2.6
132.10210	45.6
153.66711	0.6
168.42760	0.5
172.95258	0.6
173.12869	23.7
180.03688	0.6
201.12349	4.2
203.14453	1.2
219.13406	7.4
219.17453	4.0
236.47815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	3.8
58.06583	1.0
58.99569	2.7
59.89143	0.9
65.03939	2.2
67.05496	2.5
68.05019	4.2
69.07056	1.4
69.83330	2.5
69.83723	1.9
70.99566	2.1
72.81094	0.9
73.01147	2.7
80.05006	2.1
82.06580	4.9
83.04962	1.3
83.07386	1.2
84.04497	1.9
85.01134	23.2
88.91492	1.8
89.00615	1.0
95.04977	1.3
95.07330	1.1
97.01073	1.5
98.00584	0.9
98.99044	12.0
99.02674	3.8
100.03022	1.3
108.04465	2.6
109.02824	0.9
109.66807	1.0
110.06001	2.2
112.02200	27.2
113.00594	4.2
113.02949	1.3
116.05280	1.0
116.98322	2.6
117.05654	2.2
119.08559	1.7
119.80576	0.9
121.06516	0.8
122.10483	1.7
122.99015	8.3
126.05523	41.5
127.02151	1.3
129.03683	1.3
130.03235	2.8
134.02039	0.9
134.10466	1.3
140.01656	100.0
140.07043	2.2
141.07854	46.5
142.03207	3.9
143.04031	4.7
145.10098	2.5
148.28061	1.0
154.03209	2.4
155.01620	27.6
158.02698	6.3
158.15860	1.0
160.06154	1.0
163.03902	1.7
172.04282	38.8
174.27768	1.0
177.12730	3.5
188.02020	5.6
196.92265	0.9
196.93958	1.5
203.05748	1.4
204.14699	5.3
205.15898	22.0
220.04616	26.5
220.06693	1.8
220.13321	1.4
220.17842	20.7
220.97571	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01856	3.1
55.05497	3.5
56.05024	1.9
57.03408	1.6
58.06608	17.4
58.99580	9.7
61.01141	1.5
61.61924	1.1
63.45308	1.1
65.03945	1.2
67.05492	3.5
68.05025	1.3
69.07082	9.7
69.22678	11.4
70.06586	9.1
73.01151	7.7
73.57361	1.1
74.00643	2.5
74.02434	1.9
76.02180	1.9
76.03971	2.2
79.05500	1.7
81.07052	3.5
82.06573	3.4
84.04512	8.9
86.09677	4.0
86.99069	2.9
89.00565	1.7
91.05478	13.0
93.07038	3.3
94.50571	1.2
95.04942	1.5
97.06458	1.4
98.21519	2.5
99.02081	2.2
99.02682	39.2
101.04211	3.0
103.05443	3.2
105.07043	5.6
107.08588	2.5
111.02612	1.3
111.11684	1.4
112.03973	14.4
113.04221	1.8
115.05441	10.6
116.01707	9.3
116.05328	63.8
116.06184	4.7
116.07056	20.3
117.07003	3.8
119.08556	5.0
120.08041	2.3
121.10125	4.4
127.05479	1.1
128.06223	12.4
129.03725	1.7
129.07016	48.0
130.04955	1.7
130.07791	2.6
131.04938	9.8
131.08575	41.3
133.10172	6.0
135.08093	1.4
135.11635	1.7
137.05998	4.8
141.06990	36.5
143.04852	2.1
143.08578	2.8
144.01204	1.5
144.05667	5.8
145.06483	9.0
145.10106	4.4
146.07303	6.0
148.05202	2.0
156.05670	2.0
157.06483	22.5
158.07286	25.6
159.04387	4.7
159.08078	33.8
159.11717	2.7
160.05215	3.8
161.05943	1.9
161.09598	4.6
161.13237	2.1
162.02127	1.5
163.07497	2.4
168.05618	1.6
169.06487	17.8
169.12857	1.1
170.07295	9.0
171.08092	1.4
173.05966	5.5
173.07265	1.6
173.09544	2.7
174.06783	81.2
175.07521	12.3
186.06770	18.4
187.07486	2.4
188.08340	1.7
189.09120	100.0
190.09402	1.9
191.07019	1.7
191.10657	8.1
198.07527	1.1
201.09120	40.1
202.05325	18.9
202.09454	1.6
203.14331	15.4
207.02502	1.3
219.07994	12.9
219.10136	99.5
219.13759	4.9
219.17432	47.2
220.10062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20682	0.8
51.89004	0.6
53.03936	0.8
53.08284	0.7
55.01855	2.2
55.05490	2.0
55.87912	0.7
57.03426	1.3
58.06608	10.5
58.99598	5.3
61.01132	1.9
65.03950	1.8
67.05517	3.3
69.07072	4.1
69.07390	0.8
69.30001	6.5
70.06601	5.7
71.45622	0.7
73.01144	4.7
74.02451	1.1
76.03920	0.8
79.05485	2.0
80.05035	0.7
81.07040	2.5
82.06577	1.6
83.04969	1.0
84.04520	4.2
86.09693	1.1
86.99072	1.1
89.00613	1.4
91.05482	11.9
93.07026	2.7
95.04982	1.0
95.08601	1.2
98.20717	1.3
99.02064	1.1
99.02687	21.9
101.04251	1.1
103.05488	4.2
104.16152	0.6
105.07039	4.4
107.08601	1.7
111.04469	0.8
112.03988	6.8
113.04233	1.5
114.03825	0.8
115.05468	10.8
116.01687	5.0
116.05337	34.3
116.06210	3.8
116.07072	12.2
117.07027	4.7
118.73369	0.7
119.08580	4.1
120.08095	1.8
121.10141	2.2
128.06232	11.0
129.03712	1.6
129.07019	41.7
130.04123	0.7
130.07733	3.2
131.04947	9.0
131.08582	40.3
132.05688	0.8
133.06476	0.9
133.10121	3.5
135.08034	1.2
135.11748	0.8
137.05995	4.4
141.07002	37.9
143.04892	1.4
143.08559	2.0
144.05722	5.3
145.06516	8.2
145.10110	3.1
146.03609	0.7
146.07272	4.8
147.08017	1.3
147.11621	0.8
156.05710	1.5
157.06506	23.5
158.07295	23.9
159.04437	5.5
159.08067	25.9
159.11687	4.7
160.00613	1.1
160.05199	5.3
161.06038	1.7
161.09630	4.2
161.13260	2.1
162.02162	1.1
162.06743	0.8
163.07504	2.7
168.05717	1.1
169.06488	16.3
169.07668	1.0
170.07275	7.1
171.04398	0.9
171.07939	1.4
173.06000	6.7
173.09602	1.6
173.13217	1.8
174.06784	74.6
175.07544	12.4
175.14859	1.5
176.04689	1.0
176.08296	1.1
177.05392	0.9
185.05983	0.9
186.06776	16.5
187.07487	2.1
188.08334	3.9
189.09123	91.5
190.09459	1.5
191.06975	1.8
191.10672	8.1
198.02306	0.8
201.05446	1.8
201.09129	40.6
201.12761	2.3
201.16278	1.1
202.05362	9.2
202.09576	0.8
203.14330	10.2
219.08067	7.5
219.10161	100.0
219.13760	4.4
219.17424	34.0
220.10504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.8
55.05515	6.5
56.05033	2.4
56.05842	0.7
58.06605	26.3
58.99590	12.4
60.04503	0.6
61.01172	0.8
63.39977	0.6
65.03938	3.2
67.05505	1.7
68.05033	1.3
69.07069	1.2
69.44318	1.3
69.44717	3.2
70.02953	1.0
70.06596	14.6
72.08144	1.0
73.01152	9.3
74.00664	2.3
74.02453	3.3
74.30715	0.7
76.02235	2.6
76.04016	2.2
79.05487	1.4
80.05009	1.4
81.07061	1.2
82.06579	8.2
82.21116	0.6
83.07362	2.4
83.08661	0.7
84.04507	11.4
86.99067	4.8
88.02229	1.5
89.04259	1.1
91.05481	2.9
93.07021	1.1
95.08630	0.9
97.06532	0.9
99.02683	55.6
100.11259	3.7
101.04243	2.9
101.11626	1.0
105.07044	2.6
107.08562	0.7
110.06014	1.0
112.03220	1.5
112.03972	18.2
115.05470	1.8
116.01684	13.0
116.05325	100.0
116.07081	33.8
117.07005	1.3
119.08588	2.7
120.08120	1.0
121.10152	2.2
127.02105	0.6
128.06250	1.0
129.07001	2.2
130.05000	1.7
131.04948	1.1
131.08574	3.7
133.10164	2.2
135.08095	0.8
135.11729	0.8
141.07002	2.5
144.01140	3.4
145.06427	2.2
145.10114	2.3
157.06445	1.6
157.10054	0.9
158.07297	1.3
158.98228	0.6
159.08066	2.6
159.11710	1.4
160.00639	1.7
161.09604	1.2
161.13297	1.4
162.02203	3.0
162.80609	0.6
169.06468	1.1
173.05972	2.4
173.09581	0.9
173.13329	1.6
174.06770	4.9
175.07585	0.7
186.06755	1.1
188.12013	0.9
189.09109	5.1
191.10632	0.8
201.05481	3.1
201.09113	2.7
201.12752	1.5
201.16341	0.9
202.05330	29.8
203.14340	9.7
219.07999	20.7
219.10205	6.1
219.13872	1.5
219.17453	31.8
225.83398	0.7
233.27119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.20682	0.8
51.89004	0.6
53.03936	0.8
53.08284	0.7
55.01855	2.2
55.05490	2.0
55.87912	0.7
57.03426	1.3
58.06608	10.5
58.99598	5.3
61.01132	1.9
65.03950	1.8
67.05517	3.3
69.07072	4.1
69.07390	0.8
69.30001	6.5
70.06601	5.7
71.45622	0.7
73.01144	4.7
74.02451	1.1
76.03920	0.8
79.05485	2.0
80.05035	0.7
81.07040	2.5
82.06577	1.6
83.04969	1.0
84.04520	4.2
86.09693	1.1
86.99072	1.1
89.00613	1.4
91.05482	11.9
93.07026	2.7
95.04982	1.0
95.08601	1.2
98.20717	1.3
99.02064	1.1
99.02687	21.9
101.04251	1.1
103.05488	4.2
104.16152	0.6
105.07039	4.4
107.08601	1.7
111.04469	0.8
112.03988	6.8
113.04233	1.5
114.03825	0.8
115.05468	10.8
116.01687	5.0
116.05337	34.3
116.06210	3.8
116.07072	12.2
117.07027	4.7
118.73369	0.7
119.08580	4.1
120.08095	1.8
121.10141	2.2
128.06232	11.0
129.03712	1.6
129.07019	41.7
130.04123	0.7
130.07733	3.2
131.04947	9.0
131.08582	40.3
132.05688	0.8
133.06476	0.9
133.10121	3.5
135.08034	1.2
135.11748	0.8
137.05995	4.4
141.07002	37.9
143.04892	1.4
143.08559	2.0
144.05722	5.3
145.06516	8.2
145.10110	3.1
146.03609	0.7
146.07272	4.8
147.08017	1.3
147.11621	0.8
156.05710	1.5
157.06506	23.5
158.07295	23.9
159.04437	5.5
159.08067	25.9
159.11687	4.7
160.00613	1.1
160.05199	5.3
161.06038	1.7
161.09630	4.2
161.13260	2.1
162.02162	1.1
162.06743	0.8
163.07504	2.7
168.05717	1.1
169.06488	16.3
169.07668	1.0
170.07275	7.1
171.04398	0.9
171.07939	1.4
173.06000	6.7
173.09602	1.6
173.13217	1.8
174.06784	74.6
175.07544	12.4
175.14859	1.5
176.04689	1.0
176.08296	1.1
177.05392	0.9
185.05983	0.9
186.06776	16.5
187.07487	2.1
188.08334	3.9
189.09123	91.5
190.09459	1.5
191.06975	1.8
191.10672	8.1
198.02306	0.8
201.05446	1.8
201.09129	40.6
201.12761	2.3
201.16278	1.1
202.05362	9.2
202.09576	0.8
203.14330	10.2
219.08067	7.5
219.10161	100.0
219.13760	4.4
219.17424	34.0
220.10504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.4
55.05497	7.6
56.05013	5.1
58.06607	21.3
58.99334	2.3
58.99592	32.1
59.96725	2.4
61.01157	52.9
65.03935	5.9
67.05510	29.0
69.07076	28.0
70.02983	2.0
70.06609	13.1
70.66900	5.1
70.67274	2.6
70.99558	2.3
72.00359	4.9
72.08134	2.5
73.01147	24.6
74.00699	1.6
74.02445	2.4
79.05502	12.0
81.07042	7.4
82.06556	4.7
83.04957	2.9
83.07344	4.2
84.04500	13.5
85.01120	2.0
85.06535	2.5
86.99044	6.3
87.02688	2.5
87.20667	1.8
89.00622	66.3
90.01382	1.7
91.05499	8.4
93.07082	9.1
93.07571	1.5
95.04962	5.4
95.08619	2.8
95.87036	1.5
96.05767	2.1
97.06537	24.0
99.02070	3.3
99.02689	57.9
101.00606	6.2
101.03632	3.0
101.04252	32.9
102.05002	2.0
103.05788	2.0
104.68904	1.7
104.98321	8.6
105.07031	7.6
107.04919	2.0
107.08595	8.0
109.06481	2.6
109.10136	2.2
111.02679	8.4
111.04436	2.4
112.03989	19.6
113.04235	28.8
116.01688	11.2
116.05328	82.1
116.07089	26.4
117.07007	5.1
119.08605	10.4
120.08115	4.3
120.97771	4.1
121.06466	2.2
121.10156	9.6
122.99311	3.1
123.08060	3.0
125.04211	4.3
127.02126	6.1
127.05786	8.1
129.03714	73.8
129.06949	5.4
130.05016	1.9
131.05191	6.8
131.08594	8.8
133.10120	7.0
135.08069	3.2
135.11684	1.9
139.05775	2.1
141.07336	11.4
142.07681	2.0
142.99883	8.2
143.08621	1.9
144.01080	2.2
145.01396	2.1
145.06465	2.5
145.10143	7.2
147.08044	2.1
149.09644	3.2
158.07275	2.1
159.01120	6.7
159.08049	4.9
159.11717	10.7
161.00958	2.3
161.09619	4.8
161.13231	5.2
163.11166	1.7
169.06851	3.6
173.13240	7.5
174.06743	6.7
175.11182	1.9
177.05621	2.1
177.09129	3.8
187.11226	2.8
189.09103	10.7
191.10681	2.2
191.14305	2.3
201.03787	1.9
201.05440	3.4
201.09019	2.0
201.12794	4.0
202.05351	23.3
203.14325	31.5
213.16028	1.8
219.05058	4.3
219.07999	16.5
219.10214	9.1
219.14200	13.4
219.17451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
54.45327	1.1
55.01875	7.1
55.05517	6.3
56.05025	3.7
57.03430	2.1
58.06603	27.2
58.99590	32.9
59.96717	1.9
60.04502	2.1
61.01152	45.2
65.03926	5.4
67.05174	1.4
67.05508	23.9
67.82780	1.1
69.07071	21.9
70.06593	14.8
70.47734	1.1
70.99574	2.4
71.04974	1.8
71.55673	1.0
71.56139	1.6
72.00331	5.5
72.08131	3.4
73.01144	25.5
74.00654	2.6
74.02440	3.7
75.02702	1.6
76.02225	2.0
76.04001	2.7
77.00598	1.5
79.05499	9.0
80.05011	2.2
81.03419	1.9
81.07072	8.1
82.06562	4.8
83.04982	2.9
83.07357	1.6
83.08593	1.2
84.04515	15.1
85.06533	1.9
85.94586	1.1
86.09664	1.4
86.99049	6.6
87.02686	3.7
89.00622	52.5
91.05479	11.6
93.07054	7.8
95.04969	7.3
95.08621	3.6
96.05739	1.7
97.01103	1.2
97.06532	17.1
99.02685	67.0
101.00602	7.2
101.04253	23.9
102.05046	1.3
103.05370	1.2
104.98326	8.0
105.07026	11.4
107.04966	3.0
107.08611	8.7
108.45320	1.2
109.02845	1.7
109.06509	2.3
109.10123	1.6
111.02675	6.2
111.04410	2.2
112.03995	21.5
113.04235	20.9
113.05922	1.4
115.05455	5.1
116.01685	14.1
116.05324	99.5
116.07079	35.0
116.98260	1.4
117.06993	7.3
119.08600	9.3
120.08092	6.2
120.97816	1.3
121.06485	4.0
121.10139	10.5
122.99363	3.0
123.08012	1.6
125.04210	4.4
127.02131	1.6
127.05743	3.9
128.06229	2.6
129.03708	49.6
129.07021	8.4
130.05019	2.6
130.07854	2.1
131.05083	4.6
131.08569	14.1
133.10127	9.5
135.08055	4.2
135.11720	2.4
137.05908	1.4
139.05774	2.1
139.31696	1.3
141.07204	10.5
142.99817	3.3
144.01160	1.8
144.05727	2.4
145.06508	5.6
145.10112	6.3
147.08083	1.5
147.11656	2.7
149.05952	1.2
149.09668	2.6
151.89893	1.1
157.06429	3.2
157.10141	3.4
158.03590	2.1
158.07274	2.3
159.01138	5.6
159.04390	2.3
159.08058	7.3
159.11690	11.5
160.00594	2.3
161.00989	1.6
161.09621	3.4
161.13235	3.8
162.02209	3.1
163.07553	2.6
163.11150	1.6
169.06725	4.6
173.05968	7.1
173.09521	1.6
173.13222	3.7
174.06772	9.4
175.07458	1.5
175.11177	1.4
175.14885	2.2
177.05457	2.2
177.09073	4.5
179.03307	1.6
185.13457	1.3
186.06767	2.2
187.07553	1.4
188.11989	1.2
189.09128	11.5
191.07022	1.4
191.10461	1.8
200.53488	1.3
201.05475	5.9
201.09045	3.4
201.12668	5.5
201.16396	2.0
202.05345	28.8
203.14302	26.0
219.04807	2.6
219.08002	17.6
219.10170	10.8
219.14088	14.3
219.17438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.1
55.35981	0.6
58.99598	0.7
65.56338	0.5
67.05502	2.9
69.07074	1.4
71.29490	1.3
72.55727	0.5
73.01151	13.7
73.01563	0.5
78.05836	0.5
79.05495	4.2
80.37260	0.5
81.07058	1.6
82.22648	0.6
85.62338	0.6
86.32394	0.6
91.05504	1.8
93.07048	2.5
95.04989	0.8
95.08622	1.4
97.01126	16.3
99.02688	4.3
105.07042	2.3
106.99837	0.8
107.08588	2.0
111.02675	100.0
112.03458	97.3
113.04262	6.6
116.98295	0.7
117.07029	0.8
119.08587	2.6
121.06472	0.9
121.10165	4.1
133.10101	2.2
135.11656	1.9
142.99857	36.4
144.00653	1.0
145.01442	3.9
145.10162	1.4
147.08055	0.7
149.13251	0.7
159.11716	0.9
161.09621	0.8
161.13310	2.1
170.10870	0.7
173.09630	0.7
173.13339	0.8
175.14760	0.6
187.11325	0.9
201.16380	1.0
203.14342	9.9
219.03305	15.3
219.11641	0.9
219.13879	1.3
219.17458	36.6
219.21068	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86872	0.6
53.03941	0.7
55.01858	1.0
55.05512	1.9
58.06608	2.0
58.99596	3.5
61.01159	4.0
65.03942	1.1
67.05505	2.0
69.07078	6.4
70.06593	0.8
71.05194	1.7
73.01151	14.4
79.05505	11.5
80.06277	1.2
81.07066	2.5
84.04513	0.8
85.01149	0.9
89.00626	4.8
91.05505	1.1
93.07054	2.4
95.04972	2.0
95.08613	0.9
97.01140	3.6
97.06518	2.0
98.01880	0.8
99.02688	18.0
101.00583	0.9
101.04242	1.7
104.98317	1.0
105.07014	3.2
106.99892	2.5
107.08614	2.2
109.06514	0.7
111.02682	6.9
112.03447	23.2
113.04240	100.0
114.05040	9.3
115.05782	1.3
116.05317	8.3
116.07103	2.4
116.98352	1.0
117.07066	1.1
119.08622	2.2
121.10130	4.3
123.08035	0.7
123.11721	1.3
125.04193	1.6
127.16136	0.7
131.05089	0.9
131.08588	1.4
133.10127	2.2
139.05779	0.8
142.99863	1.3
145.01421	45.1
145.06541	0.8
145.10156	1.2
146.05928	0.7
153.07285	0.8
159.01056	0.8
159.11725	2.1
161.09663	0.9
161.13252	2.1
175.14822	1.3
185.04573	0.8
202.05327	2.7
203.14345	10.7
219.03310	4.0
219.08000	2.2
219.10046	1.1
219.13809	2.0
219.17453	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.9
58.06595	1.4
58.99588	4.4
61.01149	4.6
65.03917	1.1
67.05497	3.0
68.05000	0.9
69.07061	7.4
70.06589	1.9
71.16744	1.4
73.01148	16.0
79.05499	11.3
81.07057	3.3
84.04489	1.1
84.08110	0.8
85.01133	1.5
89.00626	5.7
91.05480	1.1
93.07033	1.8
95.04958	1.8
95.08618	1.0
97.01125	2.7
97.06525	1.4
98.01878	1.2
99.02066	1.1
99.02691	20.4
101.00598	1.7
101.04229	3.0
104.98280	1.1
105.07021	3.9
106.99859	2.7
107.08585	2.0
108.42508	0.8
111.02661	7.7
112.03444	23.7
113.04239	100.0
114.05038	8.9
115.05817	1.1
116.01688	1.0
116.05328	8.5
116.07099	2.9
117.07010	1.1
119.08578	3.4
121.06468	1.1
121.10166	5.0
125.04208	3.0
129.07021	1.0
130.99832	0.8
131.05214	1.2
131.08562	2.1
133.10104	3.1
135.08006	0.9
135.11716	1.2
139.05745	2.2
141.07343	0.8
142.18771	0.8
142.99892	1.3
145.01418	43.4
145.10110	2.0
147.11726	1.5
149.05910	0.8
151.05829	0.9
153.07341	0.9
154.08134	1.2
159.01099	1.1
159.08057	1.1
159.11710	2.3
161.09579	2.3
161.13255	2.6
163.07433	0.7
170.10963	0.9
173.09685	1.1
175.14706	1.1
187.11220	1.1
201.09187	0.8
201.16333	1.1
202.05360	1.7
203.14336	14.3
219.03323	4.7
219.08047	1.9
219.10043	1.4
219.13834	3.1
219.17453	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	219.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78920	100.0
75.74706	19.2
98.97598	30.7
121.01629	19.4
131.04578	16.6
167.40677	15.7
219.02710	47.0
220.32199	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	219.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86872	0.6
53.03941	0.7
55.01858	1.0
55.05512	1.9
58.06608	2.0
58.99596	3.5
61.01159	4.0
65.03942	1.1
67.05505	2.0
69.07078	6.4
70.06593	0.8
71.05194	1.7
73.01151	14.4
79.05505	11.5
80.06277	1.2
81.07066	2.5
84.04513	0.8
85.01149	0.9
89.00626	4.8
91.05505	1.1
93.07054	2.4
95.04972	2.0
95.08613	0.9
97.01140	3.6
97.06518	2.0
98.01880	0.8
99.02688	18.0
101.00583	0.9
101.04242	1.7
104.98317	1.0
105.07014	3.2
106.99892	2.5
107.08614	2.2
109.06514	0.7
111.02682	6.9
112.03447	23.2
113.04240	100.0
114.05040	9.3
115.05782	1.3
116.05317	8.3
116.07103	2.4
116.98352	1.0
117.07066	1.1
119.08622	2.2
121.10130	4.3
123.08035	0.7
123.11721	1.3
125.04193	1.6
127.16136	0.7
131.05089	0.9
131.08588	1.4
133.10127	2.2
139.05779	0.8
142.99863	1.3
145.01421	45.1
145.06541	0.8
145.10156	1.2
146.05928	0.7
153.07285	0.8
159.01056	0.8
159.11725	2.1
161.09663	0.9
161.13252	2.1
175.14822	1.3
185.04573	0.8
202.05327	2.7
203.14345	10.7
219.03310	4.0
219.08000	2.2
219.10046	1.1
219.13809	2.0
219.17453	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1387
Annotation	O-propanoyl-carnitine
Peak:m/z	Relative Intensity
55.01873	0.6
55.05509	1.4
56.05854	0.4
57.03437	3.5
62.72881	0.5
69.43867	0.9
69.44269	3.2
71.08635	21.2
83.04969	1.1
84.04499	4.0
84.05318	1.2
85.02906	52.0
88.11270	100.0
94.19860	0.4
98.20753	1.0
99.02666	0.9
101.06015	0.5
102.05538	1.2
105.78245	0.6
111.04460	1.0
112.04054	0.5
112.04793	1.8
116.01679	0.6
116.05328	1.3
116.07096	0.5
122.99411	0.5
130.04964	1.2
131.03392	1.9
133.10060	0.5
133.85965	0.6
149.88091	0.5
155.07033	1.1
156.07388	2.9
172.13327	86.2
173.13609	0.8
174.08453	2.0
200.12825	1.9
202.05486	0.6
218.11160	1.6
218.13884	17.0
218.21088	0.6
219.17430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99869	1.2
63.73095	0.8
67.04218	0.6
70.46422	2.2
82.53229	0.7
82.99854	3.0
85.01422	3.8
101.00886	36.5
102.00953	0.8
103.02454	14.9
112.26754	0.7
113.00841	1.4
119.01929	100.0
120.02023	2.3
121.03480	7.0
127.02434	5.0
129.00395	2.0
131.01926	11.8
133.03455	0.9
137.02966	21.4
142.03545	1.0
143.01910	1.2
145.03474	90.0
146.03703	1.0
146.08102	0.8
147.01407	5.6
149.02959	3.8
155.06981	0.7
156.97498	3.3
161.02960	2.3
163.04535	37.5
164.04819	0.9
168.05023	1.0
170.99127	1.0
171.01418	5.4
173.02959	4.0
174.98528	3.0
175.00932	2.0
176.99052	1.0
181.98259	0.8
189.02461	34.8
190.02585	1.0
190.98720	1.9
191.04094	4.1
193.01988	2.5
194.00671	0.9
197.99352	0.7
198.98598	1.7
199.00887	1.9
207.03514	13.3
207.05290	1.2
211.99327	1.7
212.01561	0.9
212.04065	1.0
216.99590	3.1
217.01970	7.0
235.03012	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	217.155
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
53.03955	0.4
55.01867	0.4
55.05515	16.3
56.04449	0.2
56.05045	0.6
56.96571	5.3
57.03446	0.3
57.05817	0.9
59.05003	0.5
60.04534	0.6
60.08172	0.2
67.05517	0.6
69.03432	0.7
69.07070	0.6
70.06601	1.1
70.08403	0.7
70.08815	0.4
70.98135	1.4
72.08160	100.0
73.02924	0.6
73.08489	0.4
74.06084	0.3
74.97626	0.3
75.36610	0.2
83.04985	7.7
83.08638	0.4
84.04517	0.7
84.08146	3.8
84.96021	0.4
85.02905	1.3
85.06560	0.7
86.09724	1.4
86.55524	0.2
87.04465	0.8
88.03979	0.3
88.99168	0.6
89.02409	0.9
89.06033	1.7
93.08914	0.2
97.02921	0.3
98.21562	0.3
98.97594	2.5
99.04473	0.7
99.93575	0.2
101.00899	0.7
101.06026	3.4
101.10730	0.2
102.48350	0.2
103.02470	0.5
105.07042	0.3
107.00206	0.3
110.07210	0.3
110.97601	0.3
111.04452	12.1
111.08106	0.2
111.23178	0.2
112.07616	0.4
113.06030	1.4
114.03780	0.2
114.09103	0.2
116.07138	0.3
116.98655	1.4
118.08664	3.4
119.01924	2.8
120.08150	0.4
121.01651	0.2
127.07580	1.6
128.98650	0.4
129.05469	2.0
129.10248	1.8
130.08649	0.5
131.00203	0.3
131.01959	0.4
134.99684	0.7
137.02985	0.8
137.05995	0.4
144.08066	0.3
145.03471	2.3
146.97949	0.4
147.01390	0.2
147.11331	0.2
150.97112	0.2
155.07039	15.5
156.07486	0.3
158.99651	0.3
162.97455	0.3
162.99127	0.2
163.04553	0.7
164.98955	0.7
171.01511	0.2
171.14989	0.9
173.08105	9.5
174.99165	0.7
177.00807	0.5
180.98480	0.3
189.02469	0.9
193.00246	1.1
199.09682	0.9
199.14455	0.2
207.00084	0.7
207.03471	0.3
212.95621	1.0
217.10764	7.3
217.15448	2.1
225.00945	0.2
230.96686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.9845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02757	0.5
50.76256	0.4
52.91149	0.4
54.95591	0.4
55.01881	0.4
55.05519	7.0
55.95784	0.5
56.05016	0.6
56.96571	100.0
58.18308	0.4
60.04551	0.7
60.76936	0.4
65.02862	0.5
67.05511	1.0
69.87640	2.5
70.06596	1.8
70.98129	1.3
71.95279	2.1
72.08163	12.9
74.97628	2.3
82.99880	0.5
83.04990	7.7
84.04512	0.7
84.08148	4.0
84.96035	7.2
85.01440	0.7
85.02946	0.5
85.06585	0.6
86.09730	1.6
87.04478	0.6
88.03996	0.4
88.93760	9.6
88.99205	0.6
89.02402	0.7
89.06042	1.0
94.58814	0.4
98.97607	3.0
99.04498	0.5
100.93771	1.5
101.00885	3.8
101.06020	2.6
102.97107	1.3
103.00672	0.5
103.02409	0.9
103.82692	0.4
106.94814	0.6
110.97585	5.8
110.98318	0.5
111.04447	10.3
112.99183	1.3
113.06019	0.8
115.00747	0.8
116.93254	1.7
116.98663	1.7
118.08739	0.6
118.94828	1.4
119.01929	13.7
120.99917	0.4
121.01738	1.3
121.03502	0.5
127.02452	1.2
127.07576	1.4
128.96870	0.8
128.98611	7.1
128.99428	0.6
129.05562	1.3
129.10291	1.9
129.93980	7.0
131.00194	1.6
131.01958	1.9
133.01732	0.8
133.03464	0.6
134.94304	1.0
134.99716	0.7
137.02983	2.3
139.00739	0.7
141.02226	4.5
145.03484	13.7
146.97888	28.0
146.99580	2.6
147.01442	0.6
147.95052	5.0
149.01271	1.0
152.95328	0.5
155.07037	11.8
155.08203	0.8
156.98108	2.7
159.03325	4.5
160.99553	0.7
163.04539	5.0
164.98962	45.1
165.96199	1.3
169.01762	0.8
170.97841	2.9
171.05142	0.7
172.99469	0.6
173.03075	1.2
173.08109	7.7
174.99170	17.6
175.00610	1.1
175.04533	0.6
177.00797	0.6
177.04445	0.6
179.00604	0.9
183.00015	9.4
187.02818	0.8
188.00615	1.1
188.98958	17.0
189.02342	3.1
189.06152	0.6
191.00575	1.1
191.03981	3.4
192.98465	1.2
193.00227	20.2
199.09750	0.8
207.00017	27.7
211.01358	1.4
217.02133	1.1
217.05753	0.7
217.10695	5.8
217.15506	0.8
221.01762	0.5
225.01096	2.7
230.01790	0.7
234.99496	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	215.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02540	0.5
53.03943	0.7
55.01868	2.3
55.05528	0.7
56.56863	0.6
57.03440	10.2
59.05025	0.6
60.51144	0.5
66.15878	0.5
67.01850	1.1
67.05508	5.2
69.03432	66.7
69.07077	3.3
69.45183	0.5
70.31280	1.9
71.01344	0.6
71.05000	0.9
72.93772	0.9
73.02946	0.5
79.05495	9.7
81.03389	0.6
81.07073	0.7
83.01331	1.9
83.04984	1.7
83.39721	0.5
85.01145	1.9
85.02908	67.8
86.03232	0.6
87.04461	3.0
95.01334	100.0
95.04970	11.7
95.08638	0.7
96.01666	1.2
97.02900	2.7
97.06532	14.8
98.20822	0.6
99.04454	1.6
101.06007	0.8
103.03951	7.8
105.07067	0.7
106.97879	1.1
107.04961	4.2
109.02862	0.9
110.32015	0.5
111.04451	0.6
113.02374	10.8
113.06030	3.7
123.04436	5.5
125.05997	68.4
126.06315	0.6
127.03912	5.0
129.06996	0.6
132.95850	1.6
141.05455	4.0
143.07054	5.8
145.10155	0.6
150.96898	2.1
151.03961	1.2
153.05475	20.1
159.11765	0.8
169.05014	1.5
186.44098	0.6
187.11194	0.7
191.97208	1.2
197.04398	0.7
209.98222	0.7
215.05518	1.5
215.10779	1.3
215.14246	1.2
215.17993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01876	1.7
55.05521	1.1
57.03439	9.7
58.95142	0.5
59.04995	0.6
61.02944	0.7
65.03920	0.9
67.01867	1.4
67.05505	4.1
69.03433	72.7
69.07063	2.5
70.01849	2.1
71.05000	1.5
72.93784	0.5
79.05500	8.2
81.03397	0.5
81.07052	1.0
83.01347	3.4
83.04974	1.6
85.02910	69.8
85.06535	0.9
87.04480	2.4
95.01334	100.0
95.04977	9.8
96.01683	0.6
97.02884	2.4
97.06536	14.2
98.21405	0.6
99.04462	1.4
103.03941	4.9
107.04948	3.1
109.02880	1.2
111.04422	1.4
113.02374	9.3
113.05953	2.5
115.03957	0.7
123.04408	3.6
125.02363	1.0
125.05997	65.2
126.06349	0.7
127.03935	4.0
132.95808	1.9
141.05479	4.9
142.34351	0.5
143.07054	4.3
150.96869	1.9
151.03914	2.6
153.05472	21.2
169.04971	2.0
191.97272	0.5
197.04590	0.5
215.05499	2.2
215.10648	1.3
215.17989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0552
Annotation	2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate
Peak:m/z	Relative Intensity
50.68816	0.5
52.01851	0.5
53.03954	1.2
55.01876	2.2
55.05508	1.0
57.03181	0.8
57.03442	9.2
64.34035	0.5
65.03932	0.7
67.01862	0.8
67.05514	4.0
69.03436	63.6
69.07072	2.9
70.08463	0.5
71.00856	1.0
71.05006	1.2
73.02918	0.8
79.05502	8.9
81.07063	0.9
81.51752	0.6
83.01362	2.8
83.04984	1.8
85.02911	65.8
87.04455	2.8
95.01337	100.0
95.04974	10.1
96.01667	0.9
97.02895	2.1
97.06544	11.7
99.04474	1.2
103.03944	6.0
105.07047	0.5
106.97923	1.2
107.04952	2.6
108.95208	0.5
109.02888	1.1
111.04468	1.0
113.02374	8.2
113.05997	2.6
123.04446	3.9
125.02375	0.8
125.06004	64.7
127.03923	4.1
132.95828	1.2
141.05472	4.2
143.07056	5.0
150.96912	2.7
151.03885	1.8
153.05481	18.5
160.16351	0.5
169.04947	1.4
188.28157	0.5
191.97156	0.9
210.04843	0.6
215.05435	1.1
215.10768	0.7
215.14232	0.7
215.17896	0.7
216.86496	0.5
231.37006	0.4
232.81306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08135	17.2
80.98191	15.4
114.77664	15.3
119.51357	20.6
125.99561	20.2
161.70435	16.5
183.09074	14.3
216.00917	20.5
216.14272	100.0
229.31873	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	215.0551
Annotation	2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate
Peak:m/z	Relative Intensity
53.03946	1.7
55.01863	1.4
57.03439	9.9
65.03962	0.6
66.96057	0.4
67.01867	2.1
67.05507	3.7
69.03432	69.5
69.07066	2.1
70.69221	0.8
70.69539	0.9
73.02919	0.5
79.05499	10.0
81.03429	0.6
81.07046	1.0
83.01347	2.2
83.04983	1.4
85.02908	68.4
87.04472	1.9
95.01333	100.0
95.04431	0.9
95.04977	8.1
95.35699	0.4
97.02916	2.8
97.06541	13.2
99.04449	1.4
103.03935	3.6
107.04955	3.9
109.02889	1.5
111.04440	2.0
113.02368	7.8
113.06032	1.7
115.03990	0.8
121.89288	0.4
123.04417	3.7
125.02344	1.1
125.05996	69.3
127.03930	3.7
137.42436	0.6
141.05473	5.2
143.03433	0.5
143.07045	2.6
150.96921	0.9
151.03935	2.6
153.05469	21.6
155.03426	0.7
155.55231	0.5
167.03470	0.6
169.04909	1.3
187.06093	0.6
197.04425	0.9
215.05463	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05937	0.6
53.03948	1.5
55.01863	2.2
57.03437	8.9
60.17992	0.6
61.02889	0.7
65.03934	0.7
66.33472	0.7
67.01843	0.7
67.05505	6.0
69.03432	60.5
69.07067	3.0
69.63560	0.6
70.69081	1.3
70.69444	1.4
71.04963	1.0
71.22388	0.5
72.09827	0.6
73.02928	0.9
77.11719	0.7
79.05501	10.1
83.01344	2.7
83.04989	1.1
85.02908	67.0
85.06539	0.8
87.04464	3.0
88.11284	0.8
95.01336	100.0
95.04984	12.9
96.01655	0.8
97.02920	1.8
97.06535	15.0
98.21469	0.8
99.04440	1.8
101.06030	0.9
103.03938	5.9
107.04932	3.5
109.02943	1.5
111.04498	0.8
113.02373	10.3
113.05979	3.5
123.04420	4.3
125.02382	1.5
125.05997	65.7
127.03940	5.0
132.95837	1.7
138.28281	0.7
141.05493	4.8
143.03392	0.9
143.07018	5.0
150.96945	1.8
151.03969	1.6
153.05479	20.1
156.33191	0.6
169.04968	1.5
170.15427	1.8
184.44165	0.7
191.97180	1.5
198.14920	2.1
215.05432	1.5
215.10745	1.1
215.14240	1.1
233.36067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01878	2.8
55.05503	1.1
57.03438	10.4
59.30468	0.5
61.02925	0.9
62.95959	0.5
65.03945	0.9
67.01865	0.9
67.05505	5.5
69.03432	68.2
69.07070	3.7
71.01344	0.8
71.04995	1.5
71.08640	0.5
71.26336	0.7
71.26671	0.6
72.08141	0.7
72.93804	0.9
74.09724	0.7
77.83885	0.5
79.05499	11.8
81.03428	0.9
81.07032	1.0
83.01347	3.4
83.04972	1.9
85.02908	73.2
85.06544	0.9
86.03243	0.6
87.04474	3.7
91.05463	0.7
95.01332	100.0
95.04973	12.9
95.08623	0.5
96.01678	1.2
97.02897	3.2
97.06536	14.3
98.98438	0.6
99.04455	1.7
100.87559	0.5
101.02362	0.8
103.03949	6.2
105.07034	0.8
106.97910	0.7
107.04967	3.4
108.29515	0.5
109.02889	1.2
111.04472	1.0
113.02373	10.1
113.06019	3.8
115.03980	0.7
119.08559	0.7
121.02888	0.6
121.06520	0.6
123.00769	0.7
123.04446	5.3
125.02381	1.3
125.05997	66.2
126.06259	0.6
127.03922	6.7
130.38928	0.5
130.56877	0.4
131.08493	0.9
132.95831	3.1
133.10147	0.6
135.04366	0.5
139.01567	0.6
141.05495	4.5
143.03415	0.7
143.07043	6.1
145.10101	1.0
150.96912	5.3
151.03888	1.3
153.05472	22.9
154.05907	0.5
155.03532	0.6
159.08084	0.9
159.11682	0.8
169.04947	1.2
169.10101	0.7
170.15439	3.3
173.09705	0.7
187.06056	0.9
187.11145	1.0
191.97118	1.6
197.04425	0.8
198.14896	4.2
209.98074	0.5
215.05388	0.9
215.10649	2.4
215.14232	1.4
215.17903	0.7
235.87553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0551
Annotation	2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate
Peak:m/z	Relative Intensity
53.03940	1.7
54.72982	0.5
55.01863	2.2
55.05505	1.0
56.05048	0.9
57.03442	9.6
61.01127	0.6
65.03932	0.6
67.01864	1.5
67.05508	3.7
69.03435	64.3
69.07069	2.4
70.06583	0.5
70.31439	1.1
70.31831	1.2
71.04998	0.7
74.09772	0.6
79.05499	9.4
80.62771	0.6
81.03427	0.6
81.07059	1.5
83.01351	2.2
83.04974	2.2
85.02911	61.8
85.06580	0.5
86.09715	0.9
87.04464	1.9
90.94825	0.8
91.05492	0.8
95.01337	100.0
95.04974	8.4
97.02905	2.2
97.06536	11.9
98.98441	0.7
99.04472	1.6
101.02438	0.8
103.03955	4.0
105.07015	0.7
107.04967	2.9
109.02862	1.4
111.04461	1.9
113.02382	6.8
113.06020	2.1
115.03905	0.8
119.08582	0.7
123.00777	0.8
123.04448	3.1
125.02413	1.0
125.06001	68.1
127.03950	3.9
132.95865	2.4
135.04378	0.6
141.05449	4.8
143.07079	2.9
144.05678	0.8
150.96915	3.6
151.03944	3.0
153.05484	20.5
155.03397	0.7
155.05028	0.8
157.66696	0.6
169.05002	1.7
172.05341	0.9
173.09706	0.6
179.03302	0.7
185.09113	0.6
187.07538	0.6
191.97197	0.9
197.04500	1.0
200.04742	1.5
215.05499	1.0
215.07127	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	215.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01880	2.1
55.05516	1.4
57.03442	8.7
61.01154	0.7
65.03954	0.6
67.01875	3.0
67.05507	3.6
69.03435	68.0
69.07060	2.7
69.90810	1.4
70.06590	0.6
71.04986	0.9
72.93791	0.8
73.02921	0.6
79.05498	10.6
81.03423	1.1
81.07062	1.3
83.01346	2.5
83.04998	2.0
84.08134	0.6
85.02911	65.7
87.04475	1.8
90.94864	0.7
93.07095	0.6
95.01336	100.0
95.04979	6.8
96.01669	0.7
97.02894	2.0
97.05908	0.7
97.06541	12.0
98.21359	0.7
98.98471	0.5
99.04453	1.0
101.02457	0.4
102.99822	0.5
103.03944	3.9
105.04544	0.7
105.07029	0.8
106.97905	1.0
107.04970	3.6
108.97469	0.5
109.02878	1.9
111.04440	1.5
113.02377	7.2
113.05995	2.1
115.03904	0.6
117.07005	0.6
121.02882	0.6
123.00776	0.8
123.04451	2.8
125.02345	0.9
125.06002	60.8
127.03942	3.6
131.08583	0.8
132.95842	2.0
133.95842	0.4
137.02437	0.5
141.05473	5.2
143.03387	1.0
143.07069	2.7
143.08080	0.4
145.10124	0.6
150.96895	4.4
151.03932	3.0
153.05476	17.9
169.04924	2.4
187.06049	0.5
187.11215	0.8
191.97112	1.2
197.04407	2.0
197.13264	0.5
215.05478	1.4
215.10722	1.5
215.14330	0.9
215.17885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01868	1.4
55.05513	1.6
56.79363	0.4
57.03438	8.7
57.03709	0.9
59.89761	0.4
61.01155	0.5
61.02933	0.7
63.00742	0.7
67.01880	2.3
67.05510	4.4
69.03433	68.2
69.07074	2.1
70.06583	0.4
70.81728	0.8
71.04996	1.2
72.08165	0.6
73.01132	0.4
73.02922	0.6
79.05502	9.2
81.03445	0.9
81.07055	1.0
83.01331	2.7
83.04993	2.6
85.02910	69.4
85.68507	0.5
86.09728	0.6
87.04469	1.9
91.05490	0.6
95.01336	100.0
95.04971	7.2
96.01675	0.8
97.02885	1.8
97.06539	13.1
99.04460	1.0
101.02422	0.5
103.00878	0.5
103.03948	3.4
106.97881	1.6
107.04948	2.9
108.97487	0.8
109.02886	1.5
111.04443	1.8
112.09525	0.4
113.02361	6.2
113.06026	1.1
115.03915	0.9
123.00778	1.1
123.04416	2.6
125.02332	1.3
125.06001	64.1
126.06322	0.8
126.08986	0.5
127.03922	4.0
131.08533	0.7
132.95833	2.5
141.05464	6.2
143.03384	0.6
143.07025	1.6
149.96141	0.7
150.96925	3.0
151.03926	3.3
153.05473	19.6
159.08009	0.6
159.11700	0.9
169.04951	2.6
169.10100	0.8
187.07565	0.5
191.97102	1.0
197.04449	1.6
203.01665	0.5
215.05455	1.7
215.10666	0.9
215.14151	1.4
228.75046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64190	0.4
53.03954	1.5
55.01871	1.8
55.05512	1.2
57.03440	8.9
65.03936	0.8
67.01866	1.7
67.05506	3.9
69.03434	65.7
69.07066	3.0
70.06590	1.4
70.84186	1.0
71.01362	0.4
71.05005	1.2
72.08170	0.9
72.93792	0.6
73.02950	0.5
79.05503	9.4
81.03420	0.9
81.07059	1.4
83.01364	2.9
83.04987	1.9
85.02911	64.5
85.06548	0.7
86.03235	0.4
86.09707	1.0
87.04482	2.2
90.94824	0.4
91.05503	0.5
93.07047	0.6
95.01337	100.0
95.04971	9.3
95.08612	0.8
96.01643	0.7
97.02898	2.2
97.06539	13.5
98.97588	0.7
99.04433	1.3
103.03954	4.4
105.04529	0.5
105.07050	0.5
106.97907	0.5
107.04937	3.4
107.80204	0.4
109.02875	1.2
111.04439	1.3
113.02375	7.6
113.06045	2.6
113.06764	0.4
115.03951	0.7
119.08622	0.5
121.06517	0.6
121.10160	0.5
123.04443	3.3
125.06001	66.7
126.06358	0.8
127.03967	3.3
129.06952	0.5
131.08569	0.5
132.95850	3.3
141.05461	4.7
143.03394	0.9
143.07021	3.0
145.10176	0.6
150.96883	4.5
151.03912	2.4
153.05481	20.2
154.05817	0.5
155.08591	0.5
156.02266	0.4
159.08022	0.6
159.11722	0.5
169.04964	1.4
173.09695	0.6
179.03297	0.4
187.05939	0.6
187.07538	0.6
187.11205	0.7
191.97174	1.6
197.04459	0.5
197.09657	0.7
209.98253	1.3
214.58786	0.5
215.05333	1.0
215.07069	1.1
215.10696	1.2
215.14203	1.4
215.17894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.8
55.66098	0.8
56.96570	44.1
57.03447	1.0
58.99858	1.0
69.03435	1.1
69.07072	6.7
70.06600	5.1
70.84473	0.8
70.84814	1.6
70.99879	0.8
72.04496	0.9
72.08152	2.8
72.93765	1.4
72.96075	0.8
74.97618	0.9
82.99871	2.1
83.06115	1.2
84.04475	1.4
84.08154	5.3
84.96031	3.3
85.02914	1.3
86.09711	100.0
95.04996	0.9
97.02897	1.4
97.06541	8.7
98.97601	5.7
100.02471	1.5
100.99158	10.9
101.00883	24.5
102.92585	1.5
107.23426	0.8
110.97564	5.7
112.02494	1.1
113.96380	2.2
115.02443	0.8
116.98615	1.9
118.03516	7.1
119.00208	3.8
119.01925	90.2
121.01667	1.1
126.97013	1.7
128.98611	8.2
130.03505	3.0
131.01915	6.2
131.97469	0.9
133.03465	3.1
134.99643	1.2
136.04555	1.5
136.06197	4.7
136.93146	0.9
137.02965	23.5
142.03513	2.0
144.05057	4.0
144.08720	2.4
144.98088	5.4
145.01730	1.6
145.03458	1.5
146.99632	6.7
149.02942	1.6
154.03497	1.6
155.05490	0.9
155.08052	1.5
157.02538	1.1
160.06361	1.0
161.02969	1.4
162.09731	2.8
162.99149	5.2
163.02846	1.9
165.00749	6.9
168.08693	4.1
170.04152	0.8
172.03114	1.0
172.04482	4.2
172.95285	1.7
172.97597	2.4
173.01199	1.9
173.02922	1.2
173.06604	2.1
183.01770	2.7
186.09769	68.5
187.09950	0.9
188.05885	1.1
190.05615	0.9
190.98666	9.5
191.02238	4.4
191.03999	2.3
191.07602	1.8
196.08217	2.4
197.06616	5.6
197.10385	2.0
204.05397	1.1
204.10823	28.4
208.99738	10.4
209.03131	0.9
209.11310	0.9
211.52280	2.4
214.03786	1.8
214.07565	1.2
214.09239	32.6
215.07645	4.7
215.09406	1.0
232.10321	73.6
233.08690	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	214.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
53.11477	0.5
55.01870	1.6
56.05035	4.7
56.33083	0.5
56.96571	8.2
57.03445	0.6
59.96725	1.1
61.01158	20.1
62.00677	1.2
64.60308	0.5
69.03430	2.2
69.07065	1.3
69.76413	1.7
70.06596	4.3
71.06907	0.5
72.08169	3.7
72.93797	2.4
73.02555	0.8
73.02926	9.8
74.00679	3.1
74.02431	0.7
78.96822	0.6
79.05540	0.8
80.05022	0.6
81.03444	0.7
82.06594	4.2
83.01337	2.7
84.01699	2.1
84.04506	1.8
84.08156	3.6
84.96011	0.5
84.99902	0.5
85.02915	2.6
85.39605	0.5
86.09723	4.7
87.10036	1.5
88.07631	0.5
90.94843	2.0
92.98338	100.0
94.06577	0.7
95.01347	2.8
95.04986	1.9
96.08170	0.6
97.02915	1.0
98.06094	0.7
98.97562	0.9
100.03994	0.9
100.07588	1.0
107.99400	1.0
110.06013	0.7
110.07176	2.6
110.31461	0.5
110.97576	1.1
111.05595	0.7
113.86662	0.5
116.98634	0.7
117.99615	1.0
119.00207	1.4
119.99393	8.6
120.01176	9.9
123.04420	0.6
124.04766	0.6
125.06013	2.0
127.08739	0.6
128.03459	0.5
128.07109	3.9
128.98621	1.1
129.10280	0.9
132.01138	3.0
132.95842	4.7
136.07613	0.6
136.97282	4.4
137.92413	0.4
138.00444	3.7
138.05586	0.7
138.06693	0.6
140.03445	0.6
140.07098	1.2
141.00079	2.3
141.10190	0.8
143.00131	0.5
144.98160	0.9
146.99660	2.0
148.08524	0.5
149.96143	1.7
150.02914	0.6
150.96902	12.6
153.05505	0.9
154.05086	0.6
158.02672	0.5
162.99196	1.2
165.00795	1.4
165.99942	15.3
167.97211	1.2
168.05020	0.5
168.06569	1.2
168.10181	1.1
168.13873	2.3
168.98048	0.6
172.97659	0.6
178.04973	0.6
183.01775	0.8
190.98767	1.0
191.97148	2.5
197.10468	1.2
208.99780	2.9
209.98224	1.4
214.00237	0.9
214.05354	0.7
214.07170	1.1
214.08955	1.2
214.10812	1.8
214.14496	2.5
214.21645	0.8
217.99274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1276
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
51.00990	2.6
52.94834	2.5
55.05510	3.1
56.96566	2.3
62.02969	2.6
65.68491	2.3
69.03429	3.3
69.07095	3.3
70.06585	3.5
70.97799	2.8
70.98155	3.9
71.05003	4.8
73.01158	7.0
79.05507	6.6
81.07050	6.0
83.08634	2.7
88.07647	11.4
93.07068	3.9
95.04949	2.9
95.08609	3.1
98.20893	2.4
105.07037	4.9
112.03436	3.6
121.06483	2.7
128.06235	4.8
129.07004	5.9
141.07021	5.2
142.07784	5.7
143.08569	15.1
153.07002	5.5
155.08563	23.7
156.09334	15.4
157.10127	16.1
159.60184	2.2
165.07007	38.8
167.08669	5.6
169.10153	8.4
170.10867	11.6
171.08109	4.6
171.11722	40.9
172.08878	5.5
179.08624	7.4
180.09363	40.2
183.08113	12.6
185.09711	5.9
185.13353	6.4
195.06578	9.7
195.11711	64.9
195.13388	3.8
198.10416	14.9
213.12814	100.0
213.16246	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	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
52.99530	1.2
53.03934	2.2
55.01672	1.4
55.01879	14.8
55.05513	73.1
57.03439	1.6
57.07056	1.2
59.04991	2.9
67.05176	1.8
67.05508	27.9
69.03412	5.6
69.06784	1.1
69.07077	12.6
71.04998	67.9
79.05500	21.0
81.03423	2.0
81.07062	34.1
83.05005	7.4
83.08625	43.0
83.14462	1.2
85.06546	6.6
87.04474	9.2
88.07635	1.5
91.05470	5.4
93.07056	17.8
95.04960	1.8
95.08621	9.0
97.06539	98.8
97.10175	65.6
98.20655	2.1
101.09650	2.5
105.07011	4.3
107.08602	23.4
109.06476	2.1
109.10158	16.8
111.08080	4.0
117.06999	4.5
121.06490	2.6
121.10136	4.2
125.08754	2.3
125.09635	39.4
131.08563	5.0
133.10112	4.6
135.08072	6.3
135.11717	7.2
149.09586	1.7
149.13300	6.1
153.09045	1.7
153.99522	1.2
157.10146	1.8
159.11678	5.9
171.10085	1.4
171.11691	1.2
173.98592	1.4
177.12714	8.6
189.11235	6.7
195.11964	2.2
195.13809	42.3
211.73889	1.3
213.14854	100.0
229.43718	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	depudecin
Peak:m/z	Relative Intensity
51.02366	2.6
53.03949	48.4
55.01878	30.3
55.05518	32.1
55.56030	1.8
56.96564	5.1
57.03430	5.7
58.06578	1.8
59.05006	3.9
65.03930	2.8
66.04711	2.1
67.05503	13.0
69.03424	15.4
69.07071	28.5
70.06597	73.5
71.04990	8.0
72.02764	2.0
72.07785	1.7
72.08156	38.6
79.05061	3.3
79.05499	58.6
81.03421	85.8
81.07056	31.6
83.01342	5.6
83.04971	5.2
84.08138	4.4
85.02910	8.4
86.09709	52.2
91.05485	27.2
93.07049	42.3
95.04979	19.9
95.08630	7.6
96.25816	2.0
97.02908	26.5
97.06541	29.0
99.04446	9.7
100.02203	3.8
103.05450	2.9
104.83965	2.2
105.07030	22.1
107.04961	20.6
107.08624	17.0
109.02878	7.0
109.06523	7.5
109.10140	5.3
110.07195	8.2
111.04436	8.8
111.08102	2.8
111.30542	2.1
112.08738	2.4
113.02367	3.6
113.06036	3.1
115.03941	28.7
115.05371	2.4
116.06308	4.8
116.07100	12.9
117.06997	2.4
119.04950	7.2
119.08620	4.9
121.06541	15.5
121.10145	39.0
123.04448	11.9
123.08076	5.0
125.02356	51.3
125.06004	32.4
125.09655	4.3
127.03915	7.4
128.24255	2.2
129.06989	3.7
130.96263	3.0
131.08575	20.1
132.81662	2.4
133.10133	3.4
135.04443	14.0
135.08087	7.4
137.05957	8.6
137.41290	2.1
139.11121	2.2
140.04750	2.5
141.00034	2.6
141.05476	100.0
143.03398	50.9
148.97369	4.8
149.09622	57.8
149.10739	3.9
151.03877	2.8
153.05478	94.7
153.06720	3.5
153.09145	2.4
167.03476	2.6
167.07007	3.8
167.10725	6.7
177.09113	45.6
180.55238	3.0
181.05034	3.1
185.16545	4.8
189.55777	11.5
190.05852	3.1
195.06548	8.9
195.10159	25.7
195.11674	3.3
213.05583	4.5
213.07431	2.4
213.09151	7.0
213.11246	18.7
213.12677	8.3
213.14421	3.4
216.05405	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	213.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01876	17.5
55.05290	0.3
55.05516	3.0
57.03440	0.7
58.99603	0.4
61.01151	0.6
62.55481	0.3
62.99104	0.4
65.03938	2.1
67.01853	0.4
67.05507	6.2
68.99794	0.4
69.03431	6.2
69.07072	1.2
69.41180	2.4
70.06599	9.7
71.01355	0.8
71.05000	2.2
72.08168	1.5
73.01146	6.5
73.02931	0.4
73.67905	0.3
74.06082	0.4
75.02705	0.8
78.96763	1.4
79.05498	2.8
80.94705	1.6
81.03424	8.1
81.07056	1.4
82.04198	0.7
83.01347	100.0
83.04997	3.3
83.06107	0.3
84.01689	0.4
84.04520	0.6
84.08161	0.9
85.02903	0.8
86.09727	2.5
88.07631	1.1
88.95316	0.3
89.00620	0.5
91.02185	17.4
91.05481	1.9
93.03429	1.8
93.07064	1.4
95.01340	1.8
95.04977	6.6
95.08627	0.7
97.02898	7.7
97.06520	0.7
99.00840	0.3
99.04465	1.0
101.02387	12.8
104.98328	1.8
105.03412	1.1
105.07021	1.2
107.01342	1.0
107.04960	4.9
107.08590	2.2
109.02884	13.8
109.06577	0.7
109.10184	0.5
110.03689	1.0
110.07180	1.4
111.04454	6.0
113.02363	0.5
113.06000	0.4
113.98888	0.3
115.03938	0.7
116.06435	0.3
116.07062	1.4
119.04974	0.6
119.08583	2.2
121.02885	1.0
121.06540	0.4
121.10134	1.7
122.99370	0.5
123.00789	0.4
123.04438	16.7
123.08061	0.8
125.02372	2.4
125.05959	0.7
127.03924	4.5
130.96338	0.8
131.08586	1.5
135.04442	1.0
135.08035	0.7
137.05965	0.5
137.74461	0.3
138.98833	2.5
139.03926	2.5
140.04694	6.2
141.05470	1.2
147.05882	0.7
147.08093	0.8
148.97395	1.9
149.02362	1.2
149.05482	0.6
149.09610	2.5
151.03922	10.4
152.04523	0.3
153.01791	0.7
153.05501	1.5
155.07033	3.9
156.07724	0.4
157.06569	0.3
163.03946	2.9
165.09184	0.6
167.03410	6.6
167.07069	1.9
167.09367	0.4
167.10692	0.7
167.11960	0.4
169.05005	4.7
171.02975	0.5
173.08185	0.4
177.09094	1.3
189.55089	0.3
189.97694	0.5
195.02956	2.3
195.05063	0.4
195.06525	2.3
195.08142	0.2
195.08679	0.3
195.10179	2.0
207.98683	0.4
213.04010	1.8
213.05733	0.4
213.09227	0.6
213.11069	0.4
213.12422	1.4
213.16130	0.5
230.59081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01876	19.6
55.05505	4.1
57.03429	0.7
57.35114	0.6
58.69011	0.5
58.99577	0.9
61.01165	2.3
62.99059	0.8
65.03940	2.2
67.05505	6.2
68.99789	0.8
69.03434	7.1
69.07079	2.8
70.06197	0.7
70.06595	15.4
70.94262	0.5
71.01356	1.0
71.04987	2.2
72.08159	3.5
73.01147	15.3
75.02727	1.4
78.96798	3.0
79.05489	4.1
80.40193	0.6
80.94704	3.2
81.03417	8.7
81.07060	2.0
82.04205	0.9
83.01347	100.0
83.04982	4.1
83.06118	0.5
83.08621	1.1
84.04494	0.9
84.08142	1.9
85.02921	1.9
86.09716	5.4
86.99108	0.5
88.07648	1.7
88.95292	0.8
89.00617	0.9
91.02185	40.4
91.05486	3.9
93.03390	3.0
93.07056	3.0
95.01321	1.8
95.04969	7.3
95.08614	0.8
97.02893	7.0
97.06542	1.6
99.04474	1.3
100.04796	0.7
101.02386	13.6
104.98313	5.1
105.03373	0.7
105.04523	0.6
105.07037	1.7
107.01295	0.6
107.04958	10.1
107.08606	4.1
109.02881	14.1
109.03583	1.0
109.06551	1.1
110.07192	2.6
111.04444	5.8
113.02365	0.6
113.04261	0.5
115.03933	1.1
116.07094	2.4
117.00070	0.5
119.04982	1.5
119.08595	2.6
121.02905	0.9
121.06538	0.7
121.10164	2.2
121.46637	0.5
122.99384	1.2
123.04437	18.2
123.08096	0.6
125.02375	2.0
125.05971	1.0
127.03922	3.7
128.06165	0.6
129.06998	0.6
130.96341	1.8
131.08585	1.8
135.04425	3.2
135.08092	1.9
138.98851	6.0
139.03940	2.4
140.03604	0.8
140.04688	13.0
140.05730	0.9
141.05531	1.2
147.05824	0.6
147.08014	0.7
148.97366	4.4
149.02359	1.9
149.09657	3.0
151.03922	11.4
153.01883	1.2
153.05496	1.3
154.48889	0.5
155.07043	7.5
156.07706	1.2
163.03906	6.6
165.07118	0.6
165.09114	0.7
167.03427	6.3
167.06998	3.0
167.10631	0.8
169.04990	5.3
171.02979	0.8
173.08099	0.8
177.09132	3.3
185.04335	0.6
188.92491	0.5
189.97624	0.9
195.02971	2.1
195.06511	3.0
195.10190	2.7
213.04008	2.0
213.07533	1.4
213.09428	0.8
213.12444	2.4
213.16161	1.2
234.70856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05516	24.7
56.96554	2.5
57.07075	12.9
61.73229	1.0
67.05499	1.5
69.06726	1.8
69.07076	24.9
70.06596	1.0
71.08646	6.5
71.55595	1.0
73.01155	2.2
79.05509	1.1
79.83862	0.9
81.07056	2.9
83.08627	20.8
84.08173	0.9
84.08921	0.9
84.12133	1.0
85.10206	1.2
88.07632	1.0
91.38258	0.8
91.67027	1.0
94.06565	2.1
95.07336	3.7
95.08609	1.6
95.50910	0.9
97.06539	1.0
97.10172	12.0
98.06079	1.4
107.08593	0.9
111.11729	1.5
129.07066	1.0
139.04521	29.4
166.08638	1.1
170.06384	1.1
184.09569	1.0
195.74614	1.0
212.05620	5.8
212.09068	1.4
212.23752	100.0
213.24210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0921
Annotation	3-METHOXY-L-TYROSINE
Peak:m/z	Relative Intensity
51.78354	1.2
52.64178	1.3
53.03945	2.3
55.01865	6.0
55.05507	2.6
56.05030	2.1
56.96568	78.7
57.03436	17.2
59.05002	1.4
60.62749	1.4
61.01143	5.2
61.02927	8.7
65.03937	4.7
68.98293	1.6
69.03432	17.6
69.07063	2.0
70.03795	1.4
70.06596	12.3
70.98102	1.7
71.04988	6.2
71.53822	1.5
71.95251	3.6
72.08156	3.4
72.96051	1.4
73.01136	1.8
73.02926	21.7
74.02444	2.4
74.97598	2.8
75.75597	1.4
77.04022	1.3
79.05481	3.5
80.05007	1.7
81.03429	5.8
82.01446	2.0
83.00773	1.6
83.04955	1.3
84.04511	2.2
84.08160	13.9
84.96034	4.5
85.01429	2.5
85.02911	27.1
86.03245	2.0
86.09723	3.6
87.04456	3.2
88.93727	2.0
89.00720	1.7
91.05492	9.6
92.01300	1.9
93.03414	9.9
97.02904	24.9
98.01277	2.2
98.97588	57.9
99.04450	3.7
100.02484	4.2
100.93742	5.7
101.00860	8.7
102.01582	1.8
103.02424	5.8
104.01277	3.8
106.06568	6.1
107.04965	1.8
109.02887	5.6
110.01286	8.4
110.02438	2.6
110.07172	2.6
110.97576	20.5
111.04444	8.6
111.96887	2.1
112.07623	15.0
112.67357	1.3
112.99148	9.9
113.00887	2.0
114.04065	2.0
116.01260	2.3
116.07101	2.5
116.98639	26.1
117.03853	1.9
117.98891	1.5
118.01047	1.2
118.03509	1.4
118.94774	4.7
119.01893	35.8
119.04971	10.6
120.01980	1.7
120.08110	7.8
121.03506	3.7
121.06475	4.6
122.06036	1.4
122.99328	2.0
123.07933	1.6
124.99142	2.4
125.01768	2.8
125.05995	13.2
127.00679	3.8
127.03923	7.5
128.02341	4.4
128.98602	25.0
129.10248	2.9
129.93990	25.0
131.00179	10.5
131.01871	7.3
133.01726	2.0
133.03447	1.6
134.06023	28.5
134.99677	9.3
136.07607	5.3
137.01909	1.5
137.02942	5.9
137.05975	12.7
137.08398	1.7
138.02551	2.2
139.00708	2.0
140.02312	4.4
140.98656	2.6
141.01213	2.1
141.02231	15.6
141.10321	1.4
142.01755	4.3
143.00177	8.1
143.01881	10.1
145.01668	3.0
145.03470	7.1
145.04964	2.9
146.02348	6.6
146.99664	11.1
147.01382	9.0
147.04422	15.5
147.05588	2.3
147.95021	27.6
148.04755	1.6
148.07584	5.7
149.01236	4.3
149.02896	2.3
149.04799	1.9
149.05989	33.9
150.05521	5.8
151.08704	1.4
152.02303	4.3
152.07091	29.8
153.05484	34.0
153.06631	1.5
154.03867	2.9
155.00194	1.9
155.02864	4.7
155.04684	5.6
157.01704	1.9
158.06683	10.6
158.99663	12.9
159.03304	22.6
160.02823	4.8
160.07556	2.5
161.01247	12.9
161.02931	23.9
162.03192	1.9
162.99181	2.4
163.02777	4.6
163.04466	4.6
164.05156	2.0
164.98886	2.6
165.00742	2.6
165.02437	2.4
165.96103	11.5
166.07207	2.5
166.08636	53.7
166.09782	5.3
167.08621	2.3
170.01381	1.3
170.03094	6.9
170.06647	2.5
170.97958	2.8
170.99654	12.5
173.02904	2.8
174.99384	1.7
175.04460	1.6
175.43797	1.5
176.03429	1.7
176.07333	5.9
177.00710	14.2
177.04213	3.3
177.05563	1.4
178.01033	1.7
178.03836	1.7
179.02319	3.6
179.07014	7.0
182.03389	5.7
184.02968	1.6
188.07684	5.8
188.98944	29.1
189.00722	23.4
189.02475	6.4
189.04243	2.4
189.06128	1.8
191.03915	4.8
191.54189	1.6
194.08139	100.0
195.04936	2.7
195.06502	14.5
195.08072	1.9
200.04553	2.0
201.00710	4.7
206.98158	2.0
207.00014	59.3
207.01794	8.9
207.03520	4.7
207.05237	2.1
212.04161	1.7
212.07582	14.1
212.09239	43.6
213.02382	2.0
219.01741	7.9
219.05017	1.6
221.05196	1.5
225.01039	7.9
225.02934	3.2
230.08803	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01873	8.0
55.05516	17.3
56.96554	1.8
56.99146	1.3
57.03437	4.2
57.07078	3.2
58.99569	1.8
59.05000	4.5
61.01163	1.8
65.03947	3.0
67.05506	31.4
69.03444	13.3
69.07067	16.1
70.06603	11.3
71.04997	10.4
71.54581	1.9
72.08156	4.3
73.01122	1.6
74.00679	7.6
77.03941	1.5
77.46555	1.4
79.05497	13.2
81.03433	5.3
81.07066	23.6
83.04989	11.7
83.08624	4.6
84.04497	5.1
84.08144	5.9
85.02921	4.5
85.06548	10.8
86.09712	6.0
90.96772	3.2
91.05489	16.7
92.05805	1.3
93.07047	20.1
94.07399	1.3
95.04974	100.0
95.08617	27.7
96.08151	1.7
97.01093	2.1
97.02905	3.2
97.06522	6.4
98.97630	1.6
99.02702	1.3
99.04461	7.3
99.08097	38.1
101.06032	3.8
103.05438	7.6
104.98323	2.7
105.03452	1.6
105.07033	13.8
106.04150	2.2
107.04996	3.0
107.08585	13.9
107.99409	30.8
108.05716	1.3
109.06540	8.8
109.10162	45.0
111.02708	1.7
111.04436	3.3
111.08129	6.2
112.04025	2.8
113.04242	7.5
113.06025	4.7
113.09669	2.3
115.05811	11.6
117.06948	2.2
118.63760	1.2
118.97871	2.8
119.04967	3.8
119.06075	1.4
119.08597	15.9
120.08113	1.4
121.06509	12.9
121.10178	7.1
123.04463	8.3
123.08073	4.6
123.11700	6.4
125.09642	13.9
127.07578	2.5
129.03745	1.4
129.10252	1.6
130.05019	16.7
131.05273	6.0
133.02838	3.8
133.06505	2.8
133.10146	24.2
134.03650	2.0
135.08141	1.6
135.11681	13.2
136.11969	1.7
137.05992	5.0
137.09622	50.2
138.05559	1.6
144.00612	1.4
145.01422	3.7
145.13338	1.2
147.08139	1.6
147.11682	3.7
149.05994	21.2
149.07109	1.9
149.09578	1.6
149.13307	2.9
151.03949	7.0
151.07596	4.2
151.11183	6.0
151.14922	1.6
152.04742	2.3
152.07097	1.6
153.05478	2.2
153.09186	2.7
155.08623	3.2
155.10674	19.2
161.06023	2.5
163.97797	1.9
165.05566	2.7
165.06921	3.2
165.09108	3.6
165.12772	2.6
166.06253	4.4
167.07051	60.0
169.10100	3.0
175.11307	1.6
175.14871	11.5
181.08633	17.0
181.10153	3.0
183.08011	2.6
183.11548	1.5
193.04955	4.0
193.08607	3.8
193.12241	3.4
193.15903	21.9
196.12491	2.6
200.81596	1.2
205.98849	3.6
210.99084	4.2
211.02332	1.6
211.04239	2.1
211.05989	3.6
211.07692	6.2
211.09680	3.8
211.11327	2.7
211.13206	4.9
211.14883	4.2
211.16953	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.01619	0.9
53.03937	1.0
53.67041	0.6
55.05515	12.2
57.03432	1.1
57.07068	3.2
59.04998	2.8
60.07047	0.6
65.03934	1.1
67.05508	24.4
67.33150	0.6
69.03429	9.7
69.07072	14.8
71.04999	3.7
71.08640	1.3
71.54987	1.0
79.05486	5.1
80.81902	0.6
81.06572	1.5
81.07060	27.9
83.04984	11.5
83.08624	8.3
85.06548	4.2
85.75768	0.7
91.05481	5.2
93.07046	11.4
95.04974	1.6
95.08613	38.3
97.06538	1.5
97.10207	3.5
99.08123	4.2
104.98315	1.5
105.07030	7.2
107.08598	27.7
109.06519	11.7
109.10161	100.0
111.08102	3.8
113.09636	1.9
117.07056	0.9
119.08578	22.1
121.10150	12.0
123.08073	14.9
123.11702	9.7
125.09639	1.5
127.11224	1.4
133.10135	21.6
135.11699	67.6
137.09616	13.9
138.10463	0.9
139.11176	2.1
147.11691	1.4
149.13257	5.9
151.11183	11.3
151.14836	10.0
151.81013	0.7
153.12772	2.1
165.16402	2.7
175.14830	19.5
193.15891	16.6
211.16977	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03953	1.5
54.27448	1.2
55.01870	1.2
55.05273	1.4
55.05515	14.8
57.03421	1.2
57.07069	5.4
59.04988	3.2
67.05507	30.1
69.03427	10.7
69.06725	1.7
69.07073	18.0
71.04981	4.9
71.10399	3.2
73.01145	1.3
79.05507	7.4
81.03417	2.5
81.07059	26.6
83.04990	13.9
83.08630	10.6
85.06529	4.9
88.51894	1.2
91.05463	5.2
93.07042	14.0
95.04977	2.7
95.08609	40.3
97.06541	1.2
97.10168	3.7
99.08079	3.1
104.98309	2.4
105.07052	8.9
107.08599	26.6
109.06520	12.9
109.10161	100.0
111.08086	3.4
112.39976	1.2
113.09634	2.4
119.08588	26.6
121.10138	13.1
123.08069	14.9
123.11710	12.2
125.09680	1.3
133.10138	20.8
135.11700	65.5
137.09615	17.1
139.11179	2.9
147.11665	2.1
149.13269	4.7
150.95818	1.3
151.11195	11.5
151.14844	11.9
151.43709	1.2
153.12769	3.1
165.16389	1.6
175.14847	21.9
181.53847	1.1
193.12305	1.2
193.15877	16.6
211.14967	1.6
211.16942	4.4
218.26840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.3
55.05512	13.9
55.33125	0.9
57.03433	1.9
57.07079	5.6
58.09998	0.9
58.99576	3.5
59.04992	3.9
61.01153	11.0
67.05509	28.2
67.05872	1.5
67.99217	0.8
69.03437	10.3
69.06720	1.4
69.07067	18.6
69.91552	2.0
69.91954	3.0
71.05011	5.2
71.08639	1.3
73.01144	16.5
74.01913	1.6
79.05498	5.6
81.03407	1.8
81.07064	30.5
83.04983	12.1
83.08619	12.0
85.01159	0.9
85.06542	5.1
85.34423	1.0
87.02676	1.4
87.99805	1.0
91.05487	5.5
93.07058	11.6
95.04955	2.8
95.08613	39.1
97.06513	2.4
97.10159	2.9
98.20793	1.4
99.08099	4.3
101.04238	2.6
103.97563	0.9
104.98318	32.6
105.03741	2.2
105.07037	9.9
107.08604	26.8
107.99368	1.1
109.06514	12.5
109.10160	100.0
110.10480	1.4
110.93951	1.3
111.08080	4.1
113.04228	2.6
113.09641	1.6
119.08581	24.8
121.10148	11.9
123.08076	15.4
123.11704	8.9
125.09607	2.8
130.99866	2.9
133.10133	18.1
135.11700	66.0
136.95442	2.4
137.00851	2.3
137.09622	18.8
138.10344	1.2
139.11185	2.9
145.01440	1.6
146.02136	1.1
147.02988	7.1
147.11717	2.0
149.13274	4.8
151.11191	13.1
151.14813	11.1
153.12723	3.7
165.16370	2.5
169.10164	1.0
175.13332	1.0
175.14833	18.7
193.15887	15.9
211.14818	3.9
211.16873	2.0
218.15256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.3
55.05512	13.9
55.33125	0.9
57.03433	1.9
57.07079	5.6
58.09998	0.9
58.99576	3.5
59.04992	3.9
61.01153	11.0
67.05509	28.2
67.05872	1.5
67.99217	0.8
69.03437	10.3
69.06720	1.4
69.07067	18.6
69.91552	2.0
69.91954	3.0
71.05011	5.2
71.08639	1.3
73.01144	16.5
74.01913	1.6
79.05498	5.6
81.03407	1.8
81.07064	30.5
83.04983	12.1
83.08619	12.0
85.01159	0.9
85.06542	5.1
85.34423	1.0
87.02676	1.4
87.99805	1.0
91.05487	5.5
93.07058	11.6
95.04955	2.8
95.08613	39.1
97.06513	2.4
97.10159	2.9
98.20793	1.4
99.08099	4.3
101.04238	2.6
103.97563	0.9
104.98318	32.6
105.03741	2.2
105.07037	9.9
107.08604	26.8
107.99368	1.1
109.06514	12.5
109.10160	100.0
110.10480	1.4
110.93951	1.3
111.08080	4.1
113.04228	2.6
113.09641	1.6
119.08581	24.8
121.10148	11.9
123.08076	15.4
123.11704	8.9
125.09607	2.8
130.99866	2.9
133.10133	18.1
135.11700	66.0
136.95442	2.4
137.00851	2.3
137.09622	18.8
138.10344	1.2
139.11185	2.9
145.01440	1.6
146.02136	1.1
147.02988	7.1
147.11717	2.0
149.13274	4.8
151.11191	13.1
151.14813	11.1
153.12723	3.7
165.16370	2.5
169.10164	1.0
175.13332	1.0
175.14833	18.7
193.15887	15.9
211.14818	3.9
211.16873	2.0
218.15256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05517	12.9
56.50177	1.1
57.07064	4.2
58.26561	0.9
59.04992	3.1
61.01151	2.0
67.05178	1.7
67.05511	28.7
69.03432	10.8
69.07072	17.9
69.90922	4.3
71.04996	3.1
73.01141	1.3
79.05503	6.6
79.47212	1.0
81.07063	29.3
83.04988	13.0
83.08624	9.8
85.06573	4.8
86.99031	1.1
91.05478	4.6
93.07059	14.3
95.04966	4.8
95.08615	36.8
97.06545	3.2
97.10168	3.4
98.20737	1.6
99.08081	3.9
104.98328	6.1
105.07047	11.2
107.08604	30.9
109.06526	11.0
109.10166	100.0
111.08062	4.3
113.04256	1.5
113.09628	1.7
119.08589	25.7
121.10147	9.7
123.04488	1.2
123.08089	13.8
123.11710	11.5
125.09639	2.8
133.10143	22.1
135.11703	70.0
137.09612	15.8
139.11182	2.7
146.14807	1.1
147.11707	3.1
149.13246	6.4
151.11179	9.4
151.14833	12.3
153.12732	3.6
155.08543	2.0
165.16418	3.5
175.14844	25.9
193.15884	18.7
198.11484	1.1
210.99060	1.6
211.14946	2.2
211.16896	3.6
227.82347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03951	5.3
55.01869	9.3
55.05515	26.5
56.96563	22.9
57.03437	3.5
57.07070	3.6
58.99582	7.8
61.01145	9.3
61.43023	2.2
64.14349	2.3
65.03935	5.0
67.05508	67.9
69.03426	4.4
69.07072	22.0
70.06606	3.1
70.99556	3.6
71.04994	15.4
71.08627	3.5
72.00365	2.9
73.01143	56.0
75.02697	9.4
79.05058	4.3
79.05499	69.7
81.03437	11.1
81.07059	77.8
83.04982	24.1
83.08194	2.1
83.08619	14.2
84.08120	2.5
85.02899	5.9
85.06533	4.8
87.02657	2.2
87.04462	8.1
88.91481	3.8
91.05485	67.6
93.07050	47.3
95.04974	100.0
95.08603	28.8
97.06534	18.2
97.10193	3.5
97.99179	3.8
99.02673	3.5
99.04476	3.4
99.08074	4.7
100.76064	2.6
101.02403	4.2
101.04238	2.6
102.96706	2.5
103.05818	4.1
103.97536	7.9
104.98322	20.6
105.07035	51.9
107.04952	20.2
107.08594	38.3
109.06538	26.6
109.10156	12.6
111.02683	4.5
111.04441	9.5
111.08074	2.8
112.03476	3.5
113.04228	23.3
113.06013	6.2
114.05010	3.3
115.05703	2.6
116.00217	2.8
117.07046	11.6
118.99845	4.8
119.08583	35.9
121.10139	9.0
123.08080	5.2
123.11688	8.3
125.09631	8.3
129.07042	21.7
130.99852	20.3
131.08556	19.6
133.06505	7.8
133.10152	41.3
135.08058	28.0
135.11699	7.5
136.95479	13.6
137.05997	3.1
137.09616	5.1
142.07814	5.8
145.01418	9.8
146.02184	4.2
147.03004	8.9
147.08104	3.8
147.11697	27.2
149.09647	15.4
151.03975	3.0
151.11168	24.0
157.10115	16.7
162.95215	2.6
163.97699	6.4
165.09131	2.8
165.12738	18.1
169.10127	5.0
175.11218	23.2
193.08521	2.7
193.10501	3.3
193.12279	23.9
205.98802	8.1
210.97400	2.9
211.11296	5.4
211.13272	14.7
211.14905	6.0
211.16846	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	211.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01874	0.8
55.05523	1.8
57.98809	0.5
58.99581	4.4
60.05661	0.5
61.01157	1.8
65.03945	0.5
67.01873	0.4
67.05512	1.7
68.99783	0.6
69.03440	0.9
69.07066	1.8
70.06599	4.3
71.04983	0.7
71.06120	7.0
71.54949	0.4
72.04145	0.5
72.04517	7.7
72.08157	5.7
73.01132	0.7
74.00658	0.7
76.02232	39.3
77.00634	7.7
79.05496	2.6
81.03423	1.5
81.07050	1.3
81.28539	0.3
83.04984	0.5
83.08640	0.4
83.85716	0.3
84.04507	0.6
84.08145	0.5
85.01129	1.4
85.02906	5.2
86.06054	0.8
86.09705	0.6
86.99056	0.9
89.00632	0.4
89.07159	2.7
91.05479	2.3
93.07043	0.8
93.47739	0.3
95.04987	2.5
95.08632	0.6
95.74405	0.4
96.05759	1.1
97.01121	0.7
97.02894	0.4
97.06521	1.0
98.06066	0.6
99.02665	1.1
99.08099	0.4
100.02213	5.2
100.03432	0.4
100.11256	0.5
102.07929	0.5
104.98331	2.5
105.03397	1.0
105.07014	0.9
107.08578	0.4
107.99400	1.0
109.02892	1.8
109.06510	0.4
111.02666	1.9
112.02225	0.7
112.03441	2.8
112.08712	0.7
113.04241	6.8
115.02172	0.5
115.08694	1.2
116.98290	0.8
118.03249	22.0
119.04945	0.8
119.08585	0.6
120.08100	2.1
123.04433	3.9
125.09616	1.3
127.03919	0.9
127.07547	0.4
128.02924	0.8
129.03857	0.5
129.04822	3.1
130.03235	3.9
130.04823	0.3
130.99843	0.7
131.05243	1.4
133.02852	0.6
133.06479	0.5
133.10149	0.4
137.06006	0.6
142.99873	0.5
144.00580	1.9
145.01413	4.6
147.04520	3.8
147.05875	100.0
148.06700	1.7
149.02493	0.3
151.03908	9.5
158.09120	0.5
163.97780	0.8
165.05487	4.1
165.06905	0.5
166.02728	0.4
166.08601	0.4
167.07034	1.7
169.04967	1.0
175.03940	2.1
175.11980	0.6
179.03418	0.4
193.04976	21.4
194.02321	0.5
205.98705	0.7
210.99176	5.2
211.05956	9.8
211.07858	0.5
211.11206	0.6
211.16985	0.4
217.58467	0.3
223.32144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
58.99590	9.1
59.05002	1.0
61.01157	10.2
69.07075	1.6
70.37762	2.0
70.99582	11.9
72.00356	3.4
73.01145	13.3
75.02707	100.0
78.96780	13.5
79.05503	1.7
81.07037	0.9
83.08617	0.6
85.01133	0.9
95.08627	0.7
101.04250	0.8
103.05819	7.3
103.97550	0.6
104.01802	0.6
104.98320	43.8
105.69876	0.7
106.99896	0.7
113.04214	3.0
118.99870	15.2
139.02460	7.1
143.28223	0.5
147.02997	2.4
211.02800	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	211.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
56.96539	0.9
58.99586	6.8
61.01155	29.3
67.05494	1.6
69.07085	1.3
70.12630	2.3
70.99582	12.5
71.29751	0.4
72.00355	2.2
73.01146	16.4
75.02708	7.4
76.58131	0.5
77.62894	0.5
78.96777	1.9
79.05495	2.3
81.07063	1.8
83.08618	2.2
85.01163	0.9
87.02663	1.4
94.55841	0.5
95.08617	0.6
96.97817	2.3
97.06544	0.5
98.20776	0.6
99.02699	0.5
101.04246	2.3
103.05811	100.0
103.97521	1.0
104.98319	18.9
104.99005	1.2
105.07024	0.6
109.10146	0.8
112.03453	0.9
113.04243	6.0
118.99932	0.8
121.37051	0.6
130.36232	0.6
130.99847	3.0
133.10075	0.6
136.95506	2.0
139.02475	4.5
145.01421	1.6
146.02150	0.7
147.02974	19.2
175.14969	0.5
210.97359	0.7
211.11281	0.6
231.16576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.9
58.99588	17.4
60.50581	1.9
61.01153	22.5
63.00719	2.2
67.05486	2.7
69.07082	2.7
70.99576	11.3
71.55700	3.6
72.00364	2.7
73.01144	63.9
74.01906	2.6
75.02708	100.0
77.02285	23.6
78.96765	5.5
79.05494	2.4
80.96344	3.6
81.07048	7.2
83.04965	1.9
84.00029	2.0
85.01123	7.2
85.94592	2.3
87.02703	3.6
89.00568	4.2
90.01369	2.2
91.05479	2.2
95.04947	2.3
101.04239	3.5
102.96771	3.9
103.97528	8.5
104.98322	69.2
105.24460	2.0
113.04234	6.4
115.05775	4.6
117.99069	7.6
118.99880	38.1
120.99435	6.4
130.99826	3.4
135.03487	2.3
137.00868	7.1
139.00438	4.0
147.02972	9.2
211.02693	11.4
211.11163	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10148	1.7
55.05498	2.5
56.96569	9.5
58.99593	15.8
61.01153	21.1
63.91465	2.0
67.05495	4.3
69.07072	6.8
70.06584	2.2
70.99579	2.4
71.17066	2.9
73.01148	100.0
78.96788	23.9
79.05502	7.3
81.07056	8.4
81.07471	1.9
83.05009	2.3
83.08626	4.3
87.02680	2.3
89.00625	5.3
89.04849	2.0
90.01418	5.5
91.05471	3.1
95.04983	4.9
96.29802	1.9
97.06533	2.6
99.02658	2.5
101.04238	3.0
104.98322	47.8
111.02643	2.3
112.03480	3.6
113.04237	14.0
115.05796	3.3
117.99018	3.3
121.01402	10.6
121.10086	2.0
135.11746	2.3
137.00960	10.8
139.02310	1.9
145.01450	6.0
146.97878	3.7
147.02991	3.3
157.74449	1.8
163.02460	2.7
164.98940	7.2
178.33136	2.0
179.34218	2.2
211.05978	2.1
211.14851	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	210.9739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
56.96576	7.7
57.07078	2.4
58.99582	5.1
61.01161	2.2
67.05500	4.0
69.07068	2.9
70.99593	2.8
71.55015	2.0
73.01147	100.0
75.02711	2.4
77.16414	1.3
77.62320	1.4
78.79771	1.5
79.05491	4.0
81.03425	1.9
81.07047	5.0
83.04950	1.7
83.08624	2.8
83.60019	1.3
84.96015	1.4
86.25644	1.4
91.05505	2.9
93.07060	1.5
95.04980	2.6
95.08572	3.6
97.99180	3.0
99.02709	1.7
99.08113	1.4
102.96777	2.6
103.97565	11.9
104.98314	11.0
105.07034	2.2
109.10174	3.1
111.02649	1.6
112.03442	2.8
113.04232	10.5
115.05771	2.5
116.00242	3.1
119.08566	2.1
122.17166	1.4
123.08089	2.0
130.99860	45.6
133.10136	1.9
135.94644	1.7
136.95491	36.2
145.01411	17.4
146.02211	12.7
146.97441	1.7
147.03027	4.5
151.11165	1.6
155.08556	3.1
163.97713	2.6
169.10147	5.0
176.98589	1.8
181.10156	2.4
183.11700	2.1
193.12349	1.7
196.08861	1.8
196.12473	2.0
205.98775	3.1
210.97403	10.4
211.07683	1.6
211.11284	5.0
211.14890	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05505	0.8
57.03425	0.8
57.71787	0.3
58.99590	5.9
59.05000	2.9
59.96725	0.9
60.15815	0.3
61.01153	30.0
63.94442	0.4
63.99858	1.0
64.91566	0.3
67.05497	0.7
68.00668	0.3
69.07064	1.2
69.98277	1.3
70.99580	2.6
71.04971	0.3
72.00359	1.0
73.01144	27.5
74.01919	3.3
75.02711	0.6
78.96767	1.0
79.05493	1.7
81.03426	0.5
81.07054	1.2
82.51768	0.3
83.08622	4.8
85.01112	0.6
87.02698	4.7
89.00597	0.3
95.08635	0.4
95.74666	0.3
97.06518	0.3
98.20821	0.5
99.43391	0.3
101.04249	6.7
104.98319	100.0
105.03736	5.2
106.97867	0.5
109.10163	1.2
110.93961	4.3
112.03423	0.5
113.04233	5.3
114.05022	0.7
116.61407	0.3
118.99882	1.2
122.83666	0.3
125.53521	0.3
135.11668	0.5
137.00912	7.3
137.01915	0.6
147.02977	20.2
187.60712	0.3
190.76108	0.3
193.12302	0.4
209.54326	0.3
219.00555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65262	0.4
55.05513	0.7
57.03440	1.0
58.99588	5.7
59.04999	2.3
59.96749	1.0
61.01157	29.6
62.99080	0.6
63.69291	0.4
63.99858	0.6
65.49110	0.5
69.07079	1.6
70.02797	1.8
70.99599	2.4
72.00360	0.5
72.39179	0.4
73.01149	27.3
74.01915	3.3
77.04776	0.4
78.96787	1.0
79.05502	0.7
81.07050	0.6
83.08624	5.0
87.02695	5.0
101.04249	6.6
104.98323	100.0
105.03731	5.1
110.93950	4.1
113.04240	5.1
114.04997	0.5
118.99902	1.4
136.23148	0.4
137.00912	7.9
147.02979	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
54.47569	1.4
54.70444	1.3
55.01868	2.3
55.05263	2.8
55.05515	36.0
56.96561	6.6
57.03438	2.8
57.07077	4.2
58.99593	38.7
59.05004	2.9
59.96714	1.5
61.01150	11.7
62.99081	26.7
64.38194	1.2
65.03950	2.9
67.05510	35.4
69.03425	7.9
69.07071	37.4
70.43874	4.8
70.99572	11.6
71.05012	3.1
71.27797	1.2
72.00362	4.4
72.41220	1.3
73.01148	34.7
75.02710	100.0
75.04489	2.9
77.02279	4.5
78.96780	17.1
79.05496	30.9
80.06274	1.8
81.03423	4.3
81.07063	59.7
82.07848	6.5
83.04980	6.7
83.08625	80.6
84.08154	2.3
85.01144	9.1
85.06545	19.3
87.02682	4.1
89.00633	2.0
91.02190	3.5
91.05471	4.3
92.98345	14.2
93.07041	5.2
95.04982	16.5
95.08611	14.6
97.01123	6.5
97.02918	1.6
97.06544	11.5
97.99187	2.1
99.02688	18.4
99.04457	2.0
99.08089	4.2
101.04251	87.1
102.96712	1.6
103.97540	2.4
104.98327	19.2
105.07039	3.6
106.99896	1.5
107.08599	5.9
109.06506	3.9
109.10166	11.5
111.02670	7.5
111.08089	1.9
112.03454	32.5
113.04240	76.5
114.05017	12.6
115.05816	12.0
118.99874	16.5
119.08592	4.8
121.06524	1.6
121.10132	2.4
123.04441	2.5
123.11732	16.6
129.03719	34.0
129.07347	28.7
130.99855	6.2
131.05273	23.1
133.10092	2.7
135.11731	4.7
136.95506	5.3
137.00882	2.3
137.05951	1.7
137.09639	4.4
139.02483	7.0
139.07545	3.1
141.07030	1.5
145.01425	21.5
146.02205	4.0
147.02988	9.0
151.11201	3.7
155.08582	3.1
161.04539	12.3
163.02480	87.4
163.97754	2.2
164.98936	1.6
165.16376	1.8
166.03166	1.9
167.14232	1.6
169.10132	4.9
175.14807	1.4
179.10699	7.8
183.08104	1.6
193.15939	2.3
196.08960	1.6
196.12601	3.0
210.97346	1.5
211.00809	2.9
211.02742	16.8
211.07658	1.7
211.11395	3.6
211.14841	11.4
211.16638	2.3
234.68323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73028	31.1
51.23638	25.6
56.31772	25.6
70.58353	73.0
70.58679	29.6
71.43230	24.4
87.53405	27.9
94.92989	35.4
98.20772	29.1
139.37206	30.0
150.34305	26.0
188.96271	27.7
210.94101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.46838	2.1
53.03956	4.4
55.01867	7.4
55.05513	17.7
56.94942	2.2
57.07086	3.9
67.05510	17.4
69.03421	20.7
69.07066	18.7
69.82359	9.8
69.82772	4.3
71.04990	10.9
73.01131	5.7
79.05495	17.2
81.03414	5.4
81.07063	31.1
83.04992	20.5
83.08607	9.5
85.02924	3.2
85.06549	5.2
91.05482	22.2
93.07047	20.4
95.04969	19.0
95.08610	32.2
97.06533	11.6
99.04446	5.7
99.08087	5.8
103.05456	4.8
105.06454	3.3
105.07045	26.0
106.04162	7.9
107.04972	5.5
107.08598	64.5
109.06531	60.2
109.10168	27.3
111.08079	7.5
112.03479	4.4
113.04247	4.9
117.07018	4.7
119.08560	9.6
121.06490	13.3
121.10154	47.2
122.07301	6.9
123.08085	13.0
123.11693	7.9
125.05978	3.5
125.09612	12.4
131.08612	12.2
133.10139	90.8
135.08057	35.4
135.11661	8.5
137.06010	3.4
137.08658	3.6
137.09630	53.6
139.03853	3.6
139.11198	5.9
141.11972	2.2
143.08554	2.8
145.02893	2.4
145.10129	7.9
147.11700	9.8
149.06004	9.9
149.09659	15.2
149.13263	28.4
151.07512	3.1
151.11198	100.0
153.05467	3.4
153.09090	6.7
158.10901	5.6
163.11192	2.7
163.14830	9.1
165.12732	7.7
167.14345	7.0
173.13292	21.8
177.05510	6.7
181.10152	2.8
191.07088	4.9
191.14317	60.4
209.08089	6.6
209.13402	4.3
209.15317	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.6
55.01869	3.1
55.05515	6.9
57.03429	1.4
57.07080	6.3
58.99587	11.6
59.04996	3.1
61.01150	2.6
65.03940	1.2
67.05509	7.9
69.03429	3.8
69.07078	12.0
69.58484	0.6
70.06597	0.8
70.11716	2.1
70.12127	1.5
70.99567	1.7
71.04995	4.4
73.01160	4.0
74.61494	0.7
75.02702	4.1
78.04713	0.6
79.05507	8.5
81.07052	9.3
83.04987	8.8
83.08631	4.7
84.08147	1.1
85.01129	2.0
85.02914	6.2
85.06541	2.5
87.02692	0.8
89.04258	1.8
91.05477	8.4
93.03411	2.0
93.07053	10.0
95.04976	8.4
95.08609	11.6
96.05744	1.1
97.01120	1.5
97.06525	4.7
99.02691	3.3
99.04455	1.5
99.08083	1.7
101.00632	0.7
101.04240	2.7
102.96765	20.6
103.05489	2.4
104.98319	3.7
105.07041	7.0
106.04180	4.5
106.04778	0.6
107.04970	1.1
107.08598	16.2
107.74963	0.7
109.06524	100.0
109.10158	10.8
111.02671	7.4
111.04418	1.1
111.08084	3.4
112.03468	7.8
113.04239	23.1
115.02181	1.7
116.98296	4.6
117.03428	0.7
117.06998	2.0
117.95969	2.2
117.99127	2.0
118.99861	1.9
119.08569	2.6
121.06532	6.3
121.10168	10.2
123.08063	10.0
123.11703	2.2
125.05982	2.4
125.09648	3.0
129.03723	3.0
130.04501	2.9
131.04970	1.4
131.08603	4.9
133.10110	6.0
134.03612	0.7
135.08063	22.9
135.11674	4.2
136.07474	0.8
137.09619	1.4
139.07596	0.8
139.11182	1.0
142.99875	4.4
143.08597	1.1
144.00662	1.1
145.10118	2.4
147.08035	0.9
147.11717	3.8
148.08885	0.7
149.05977	6.7
149.09633	6.2
149.13252	6.2
150.10487	1.5
150.97023	4.5
151.11189	24.9
153.05544	0.9
153.09123	5.1
158.10924	1.4
161.00941	2.1
162.97018	3.5
163.11205	1.7
163.14789	3.3
165.12772	2.6
167.07068	1.1
167.14331	2.9
171.50803	0.7
173.13289	7.5
176.12051	0.8
177.05478	4.8
179.08577	1.9
181.10080	0.9
191.07080	1.0
191.10651	0.9
191.14317	28.9
194.02132	2.6
194.10933	1.8
209.01266	2.5
209.04475	2.2
209.08055	1.8
209.09851	1.6
209.13246	2.7
209.15324	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	4.7
54.45127	3.3
55.01870	4.3
55.05269	4.0
55.05516	66.0
57.03433	10.8
58.99595	51.8
59.04990	5.1
61.01160	43.7
64.19711	4.1
65.03909	4.9
67.05502	18.7
69.03435	7.0
69.07073	21.3
70.88618	6.4
70.99570	7.6
71.04974	13.5
72.00372	7.8
73.01155	20.9
79.05485	26.1
80.06271	6.0
81.07067	37.6
83.04989	86.3
83.08628	39.9
85.01115	12.0
85.06548	9.4
87.02677	8.0
91.05466	14.4
93.07054	28.0
94.53671	3.3
94.98023	4.4
95.04979	100.0
95.08626	16.6
97.01105	13.5
97.06543	29.5
97.10151	6.2
99.02665	8.9
99.04469	23.2
99.08102	7.9
101.40056	3.8
102.96745	11.5
104.98331	87.9
105.07021	13.7
106.04200	4.6
107.08605	40.5
109.06527	74.2
109.10153	37.1
111.02673	28.6
111.08076	21.5
112.03460	54.3
113.04261	3.8
116.98306	9.4
117.07033	4.1
118.99863	5.8
119.08595	6.5
121.06510	7.8
121.10160	33.7
123.08073	14.9
123.11685	14.7
125.06025	6.1
125.09639	21.6
129.99132	6.7
131.08572	12.6
133.10123	34.0
133.84521	3.2
134.99393	4.1
135.08044	18.6
135.11678	6.9
137.09657	4.8
145.01379	10.2
147.11696	9.9
148.05194	4.2
149.09641	25.9
149.13269	23.1
151.11201	47.2
153.09123	60.3
163.14825	9.7
167.14328	57.0
173.13306	18.1
175.62769	3.5
191.14355	47.3
209.01285	11.9
209.13452	5.4
209.15405	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	1.6
55.01861	2.0
55.05261	1.6
55.05509	19.4
57.07071	1.7
59.04991	2.0
64.26360	1.0
65.03928	1.2
67.05514	9.6
69.03431	11.4
69.06734	0.9
69.07077	12.0
70.63134	2.1
70.63500	1.9
71.04994	6.9
79.05494	8.1
81.03387	1.3
81.07056	18.0
83.04982	33.6
83.08620	10.6
85.06489	1.2
91.05484	6.4
93.03382	1.2
93.07047	14.3
95.04377	1.1
95.04974	16.9
95.08610	23.8
97.06548	7.6
97.10176	1.5
99.04453	3.9
99.08092	5.2
105.07030	10.3
106.04186	2.8
107.04919	1.1
107.08602	39.8
109.06536	13.4
109.10159	16.9
109.38890	0.9
111.08104	5.6
113.09669	1.4
117.06985	1.7
119.08561	4.5
121.06502	7.5
121.10149	33.4
122.07269	1.2
123.08076	4.7
123.11723	6.3
124.63338	0.9
125.09648	11.7
131.08575	6.8
133.10147	15.6
135.08055	12.0
135.11684	4.5
137.09605	2.9
139.03902	1.6
139.07509	1.3
139.11179	4.9
145.10106	2.2
147.11699	9.3
149.05974	2.3
149.09654	10.7
149.13260	18.0
151.11191	100.0
153.09091	4.3
158.10909	2.8
163.14832	7.1
165.12721	6.2
167.14323	15.5
173.13254	15.2
177.05507	1.3
191.14330	37.6
209.15375	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01866	3.0
55.05519	12.0
57.03437	5.8
57.07084	4.0
59.05006	6.4
62.17381	2.3
67.05493	11.8
68.99767	3.1
69.03434	8.6
69.07079	17.8
70.88883	3.7
70.89223	3.2
71.04982	5.7
73.32688	2.3
79.05498	15.4
81.07063	26.3
83.04998	23.7
83.08620	9.6
85.02901	3.0
85.06544	11.0
91.05473	13.1
93.07065	35.0
95.04971	6.7
95.08614	26.6
97.06548	10.1
99.08110	20.9
105.07041	19.3
107.04948	5.6
107.08603	57.3
109.06525	11.8
109.10175	22.7
111.08092	8.3
115.55720	2.3
119.08577	9.6
121.06522	13.2
121.10154	32.5
121.14355	2.4
123.08044	15.3
123.11741	7.2
125.06010	5.7
125.09640	12.9
131.08562	13.9
133.10144	29.0
135.08075	18.7
135.11705	5.9
137.09599	10.6
139.07574	8.4
139.11205	5.5
145.10130	4.7
147.11729	6.9
149.09628	100.0
149.13274	21.9
150.92189	2.6
151.11186	50.0
153.09109	14.4
163.11143	5.0
163.14830	16.3
173.13295	18.5
179.14429	2.7
185.64465	2.4
191.14336	30.1
209.15393	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	3.9
55.01863	12.5
55.05515	68.3
57.03436	12.5
57.07064	8.5
58.99572	10.0
59.04994	9.2
62.69160	2.9
67.05519	27.4
69.03417	14.7
69.07073	33.3
69.43997	9.0
69.44418	15.5
70.06565	4.1
71.04988	13.9
73.05452	3.0
79.05508	32.6
81.03426	4.8
81.07063	66.7
83.04981	100.0
83.08617	42.3
85.01126	3.4
85.02898	4.3
85.06512	8.1
91.05467	27.0
93.07050	60.4
95.04990	35.5
95.08620	46.2
97.06530	19.3
97.10187	7.1
99.04456	11.2
99.08108	26.5
101.04269	4.1
103.05454	5.9
104.98326	3.6
105.07037	28.0
106.04163	7.5
107.04929	5.3
107.08599	95.1
109.06522	45.8
109.10164	54.9
111.04435	5.6
111.08039	17.1
112.03421	3.4
113.04243	96.2
119.08574	17.7
121.06503	23.7
121.10145	61.2
123.08061	21.2
123.11684	18.9
125.05979	9.6
125.09628	25.8
129.03720	27.4
131.08574	17.2
133.10130	30.2
134.02119	3.1
135.08060	27.4
135.11703	14.6
137.09630	13.9
139.03912	27.2
139.07512	6.3
139.11169	6.2
144.09404	3.1
145.10098	9.0
147.11710	12.8
149.05968	14.4
149.09633	75.8
149.13277	41.4
151.11198	82.7
153.09125	27.3
158.10913	4.3
161.13248	5.0
163.11218	4.9
163.14816	19.4
165.12697	5.0
167.14316	51.7
167.15601	4.8
173.13271	32.8
177.05417	8.3
179.24979	3.2
191.14322	55.7
193.55766	4.1
209.04420	4.6
209.08014	6.7
209.11711	6.3
209.15411	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19794	0.2
53.03939	0.3
55.01851	0.4
55.05509	0.9
56.96574	0.3
57.07072	0.4
57.38596	0.2
57.57152	0.2
58.99327	0.4
58.99591	5.0
58.99873	0.5
61.01170	0.5
63.55821	0.2
63.94421	0.3
65.03939	1.0
67.05183	0.3
67.05511	4.3
68.06284	0.4
69.07070	6.2
70.07856	0.3
73.01134	0.6
75.02689	0.4
77.91148	0.3
78.96783	2.5
79.05495	4.8
81.07057	0.5
83.04980	0.6
83.08640	0.3
85.01130	0.7
85.06545	1.1
87.02686	0.7
91.05485	0.7
93.03394	0.2
93.07044	0.5
95.04967	2.1
96.05758	3.2
97.01119	5.7
97.06551	2.7
98.01900	0.5
98.07320	0.8
99.02683	5.1
101.04253	8.3
104.98315	0.3
106.04173	0.5
107.08572	0.6
109.06527	0.8
110.93964	1.1
111.02675	23.8
112.03458	34.0
113.04235	100.0
114.04614	0.4
115.02168	4.3
116.98262	0.2
117.95989	0.3
118.99908	0.6
120.00619	0.5
121.06506	0.7
121.10101	0.5
127.02179	1.2
128.02876	0.6
129.03711	7.3
130.04489	8.4
131.05299	0.7
133.01427	1.6
142.99854	17.1
144.00667	1.2
149.06021	0.7
153.09106	0.3
161.00903	6.6
163.11223	0.3
176.78381	0.2
177.05507	0.8
181.08646	0.3
191.06998	0.3
191.14365	0.5
193.47400	0.3
194.02193	0.3
209.01233	3.2
209.04417	0.4
209.07903	0.3
209.09770	0.3
209.13550	0.5
209.15430	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03946	3.9
54.54137	1.2
55.01864	2.9
55.05515	77.6
56.67166	1.3
57.03440	2.9
57.07077	3.8
57.34277	1.5
59.04996	5.2
67.05514	9.2
68.85467	1.4
69.03428	10.5
69.07072	8.7
70.51903	3.2
71.04996	5.4
74.55817	1.3
79.05511	8.1
81.07063	19.6
83.04986	100.0
83.08626	43.5
83.09120	2.9
85.06557	4.8
91.05495	5.3
93.07051	15.6
95.04971	20.9
95.08617	13.2
97.06533	16.8
97.10176	11.7
98.21401	1.8
99.04478	4.3
99.08088	6.3
105.07038	6.8
107.08602	32.2
109.06529	37.8
109.10171	28.9
111.08086	12.0
113.06001	3.3
118.97865	2.6
119.08556	4.2
121.06536	2.2
121.10149	20.5
123.08092	4.8
123.11707	15.9
125.09634	28.0
126.81499	1.5
131.08604	3.3
133.10135	13.4
135.08069	7.5
135.11679	2.4
137.09622	2.2
139.07539	2.0
145.10123	1.9
149.09644	13.5
149.13290	11.6
151.11189	46.3
153.09145	17.0
158.10907	2.9
163.14832	5.5
165.12749	2.3
166.02031	1.4
167.14331	73.1
173.13289	7.8
191.14348	14.1
209.15381	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55807	0.6
58.99591	57.5
61.01155	47.5
63.99855	2.2
65.03939	1.2
67.05506	1.6
69.07069	2.9
70.84132	1.3
70.99586	6.7
72.00373	6.0
73.01144	17.1
73.64670	0.6
74.61924	0.7
75.02706	18.6
78.96777	2.3
79.05486	3.5
80.06281	5.2
81.07051	3.0
85.01134	7.3
87.02691	7.8
89.00628	1.8
92.30952	0.6
95.04948	1.0
97.01121	10.9
99.02689	10.0
102.96774	8.6
103.97530	1.1
104.98324	100.0
111.01920	1.6
111.02677	25.0
112.03457	60.4
113.04243	2.0
116.98325	5.3
118.99887	6.7
124.18870	0.6
129.99074	6.2
134.99376	5.6
136.00134	2.8
137.00922	1.0
145.01418	8.3
149.05920	1.0
209.01253	16.1
209.15331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01868	1.3
55.05507	2.1
57.07069	0.6
58.99596	3.4
61.01146	0.4
64.68523	0.4
65.03928	1.1
67.05502	4.8
68.06271	0.5
69.07072	5.4
69.82336	2.1
73.01155	0.7
73.51122	0.4
78.96780	1.9
79.05497	7.9
81.03429	0.6
81.06653	0.4
81.07057	3.0
81.60474	0.4
83.04984	0.7
83.08636	1.2
85.01154	0.9
85.02914	0.4
85.06564	0.8
91.05483	2.1
93.03403	0.4
93.07056	4.4
95.04984	3.2
95.08620	3.9
96.05757	2.4
97.01125	5.9
97.06531	2.5
99.02688	5.3
99.04440	0.5
101.04252	6.5
103.05471	1.0
105.04523	0.5
105.07066	1.2
106.04174	1.3
107.04978	0.9
107.08611	2.5
109.06520	1.3
110.93958	0.8
111.02676	24.8
112.03457	33.2
113.04237	100.0
115.02155	3.9
117.07018	1.2
119.08600	0.7
121.06509	2.5
121.10144	1.0
125.06011	0.8
127.02171	0.9
129.03708	5.7
129.04599	0.7
130.04485	7.6
131.05049	0.4
133.01427	0.9
133.10210	0.6
135.08087	0.8
135.11700	3.3
142.99863	16.9
144.00650	1.4
145.10114	2.6
148.05223	1.1
149.05968	2.2
153.09102	0.7
161.00912	6.0
163.07542	0.6
163.11211	2.3
165.12738	1.1
177.05493	1.2
191.07051	2.6
191.14288	0.6
209.01207	2.9
209.04428	0.5
209.08156	0.9
209.15402	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	3.0
55.01870	1.9
55.05520	9.6
57.03439	1.8
57.07069	4.8
58.52200	1.3
59.05001	2.3
65.03937	5.1
67.05508	35.1
69.03434	8.1
69.07084	7.3
69.84675	1.4
70.90874	2.7
71.04979	3.3
79.05498	12.1
81.03435	2.3
81.07066	13.1
83.04993	8.1
85.02907	13.8
85.06535	10.3
91.04971	2.3
91.05492	32.4
93.03394	1.3
93.07043	22.5
95.05006	6.6
95.08613	100.0
97.06516	4.4
103.05485	2.2
105.07037	38.7
107.04944	2.9
107.07870	1.6
107.08598	29.7
108.05692	1.3
109.06532	10.1
109.10160	8.9
111.08109	3.2
113.06032	3.6
117.07056	1.7
118.04185	1.8
119.04955	19.5
119.08588	43.2
120.08064	2.0
120.09406	2.2
120.34338	1.2
121.06535	7.4
121.10146	28.2
123.08083	76.9
123.11715	19.0
125.09628	6.7
125.18840	1.4
129.07039	2.3
131.08574	8.9
133.06525	7.2
133.10143	11.2
135.08049	5.9
135.11684	5.2
137.05997	1.6
137.09612	9.5
137.13245	3.8
139.07542	2.5
143.08543	3.3
144.08064	1.7
145.10121	4.3
146.03700	1.9
147.04428	13.3
147.08081	11.3
147.11699	29.0
149.02324	3.8
149.09631	65.6
151.07541	15.8
151.14807	3.7
156.09351	6.8
159.08090	3.1
159.11758	2.0
160.08873	1.4
161.09630	4.7
161.11978	2.6
161.13274	31.9
163.11177	5.8
164.04712	3.4
165.09142	4.5
165.12755	16.9
171.11676	9.6
174.10410	6.4
175.03926	15.3
177.12790	1.9
179.07042	2.0
179.14285	5.9
189.12761	52.5
192.04193	4.0
207.06575	11.9
207.13817	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
56.04820	0.6
56.05044	6.1
56.96568	8.7
57.03431	2.6
57.89960	0.5
58.49065	0.5
59.10201	0.5
60.04519	2.4
61.02937	1.2
62.99070	0.8
68.05018	0.6
69.03436	5.9
70.06602	3.4
70.98119	0.7
71.05010	0.8
71.54620	0.7
71.55058	0.8
73.01145	9.7
73.02925	5.2
74.00657	0.9
74.06089	1.5
74.62582	0.6
74.99080	1.3
75.04501	0.7
76.02229	2.5
77.00610	0.8
80.05004	0.6
81.03393	0.7
82.00750	0.5
82.06590	11.2
84.04507	1.6
84.08125	1.1
85.02901	1.9
86.06075	2.5
87.04474	0.9
88.02226	3.6
88.04012	1.5
91.02193	4.3
91.59658	0.6
96.08110	1.7
97.02901	1.1
98.06067	11.3
98.97609	1.1
99.02678	0.7
102.00171	0.9
102.09196	0.6
103.02177	0.6
104.01337	0.7
106.03277	3.7
108.04457	0.8
110.06017	0.8
114.03777	1.0
116.05309	1.2
116.98640	0.8
119.01651	100.0
119.91936	1.0
120.01180	1.0
120.02039	1.0
121.06476	0.7
126.05528	1.4
128.02368	0.6
128.07050	1.3
131.01927	2.5
134.02733	2.2
134.06010	0.6
134.78969	0.5
137.02730	2.5
137.93013	0.6
144.04834	2.8
144.06589	6.9
145.03473	1.2
149.02805	1.4
149.86087	0.6
157.03487	2.2
158.99695	0.6
160.04320	1.7
161.03014	0.6
162.00739	0.7
162.05852	19.2
162.09131	1.4
167.01991	0.8
172.04263	2.1
179.64641	0.6
185.02986	7.4
190.05322	2.5
191.03741	11.8
202.98660	0.9
203.03961	3.2
207.99635	0.7
208.04552	1.7
208.06367	13.2
208.09732	2.0
208.97984	0.6
226.00558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03920	2.6
55.05512	11.7
57.03427	3.5
57.07063	4.4
59.04980	2.4
65.03944	2.5
67.05512	12.6
69.03439	7.5
69.07072	8.4
70.04042	6.4
71.04996	11.5
72.56315	1.4
76.24112	1.5
79.05504	14.6
81.03416	7.9
81.07056	18.8
83.04987	9.3
83.08630	2.6
85.06569	3.7
88.11063	1.5
91.05489	20.5
93.00415	1.4
93.07049	20.3
95.04953	10.4
95.08611	27.4
97.06525	8.4
99.04463	4.2
99.08022	1.4
105.07034	44.8
107.04933	4.3
107.08601	29.3
108.72862	1.7
109.06532	17.8
109.10159	18.1
111.04432	4.1
111.08066	4.7
115.05516	1.7
117.07040	2.4
119.04957	10.7
119.08592	50.6
121.06510	6.0
121.10150	41.9
123.08071	33.9
123.11729	9.6
125.09601	2.6
129.06989	2.2
131.08566	9.6
133.06483	10.1
133.10132	17.6
135.08060	7.3
135.11736	10.3
135.96376	1.9
137.05972	6.3
137.09615	15.5
137.13243	4.0
143.08554	4.2
145.10136	11.3
147.04402	3.3
147.08060	15.6
147.11691	48.3
147.12799	3.3
149.09631	62.0
150.10260	1.8
151.07541	14.1
151.11147	6.3
156.09361	11.6
159.08032	3.1
159.11711	1.6
161.09622	6.9
161.11963	3.1
161.13271	43.3
163.11203	11.5
165.09103	3.0
165.12776	23.8
171.11676	18.5
174.10440	5.2
177.12558	2.0
179.14252	4.8
187.79692	1.8
189.12762	61.6
207.06549	2.8
207.13814	100.0
208.14209	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03940	2.9
55.01866	3.3
55.05515	13.8
57.03434	3.8
57.07072	3.8
59.04987	5.5
59.94510	1.8
65.03924	3.2
67.05508	14.6
69.03436	13.0
69.07074	12.5
69.58648	1.6
70.01627	3.3
70.02021	3.1
71.04983	6.8
72.19759	1.5
79.05507	14.4
81.03422	3.8
81.07063	24.4
83.04991	8.4
83.08620	2.2
85.02911	55.3
85.06514	3.9
91.05488	36.8
93.07059	25.5
95.04972	9.3
95.08617	27.8
97.06535	4.1
98.21497	2.0
103.05447	3.3
105.07039	64.7
107.04967	3.1
107.08600	30.5
109.06525	18.5
109.10162	12.5
111.08080	4.1
115.05474	2.5
116.98318	2.4
117.07015	5.4
119.04951	21.8
119.06857	3.7
119.08586	66.9
121.06534	8.8
121.10152	27.6
123.04315	1.5
123.08083	35.1
123.11717	33.7
125.05984	2.6
125.09605	2.3
128.06183	3.2
129.07019	3.8
130.07771	2.7
130.35002	1.8
131.08578	12.6
133.06490	7.1
133.10129	23.7
135.08057	18.4
135.11700	5.3
136.05170	1.9
136.91907	1.7
137.06026	2.3
137.09619	22.3
137.13263	2.4
139.07478	3.0
141.06998	3.7
143.08580	7.5
145.06516	1.9
145.10170	14.1
146.10896	2.8
147.04410	13.4
147.06288	2.1
147.08061	14.8
147.11699	58.1
149.09633	48.6
151.07549	12.8
151.11240	2.3
153.09172	2.1
156.09401	11.0
159.08037	2.5
159.11696	4.4
160.08910	1.8
161.06071	2.6
161.07993	1.7
161.09659	9.2
161.13278	39.0
163.11195	10.9
164.04683	3.8
165.09171	3.1
165.12773	10.7
171.11700	13.4
174.10451	7.3
175.03894	16.0
177.12779	3.8
179.07048	2.7
179.14362	4.6
189.12767	49.5
190.13033	1.5
192.04184	4.8
207.06526	12.8
207.08270	2.9
207.10571	3.7
207.13823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03946	1.8
55.05513	7.0
57.07076	4.3
59.04992	1.4
61.01149	0.9
65.03922	2.2
65.18754	0.9
67.05506	33.0
68.84712	0.9
69.03425	5.0
69.07049	3.5
70.07896	1.8
70.08296	2.3
71.04996	2.2
79.05490	6.9
81.03380	0.9
81.07057	9.6
81.94279	1.1
83.04984	3.2
85.02912	9.9
85.06555	10.1
90.09155	0.8
91.05488	21.4
93.07047	14.3
95.04974	5.3
95.08614	100.0
97.06538	1.7
105.07041	19.5
107.04968	2.0
107.07870	1.3
107.08601	20.7
109.06521	5.3
109.10157	6.3
111.08096	1.5
113.06007	5.6
116.98301	11.0
117.07027	2.4
119.04958	10.3
119.08594	32.9
120.09356	1.7
121.06501	4.1
121.10153	18.4
123.08077	57.6
123.11702	14.5
125.05977	1.2
125.09626	1.3
131.08568	6.9
133.06499	2.0
133.10141	5.7
135.08060	1.8
135.11731	3.5
137.09601	5.5
137.13275	2.5
139.07497	2.0
143.08536	1.9
145.06454	1.6
145.10123	3.4
147.04475	6.7
147.08012	5.3
147.11702	19.9
149.09624	41.6
151.07576	3.6
151.14819	3.6
156.09351	3.9
159.08070	2.5
160.08899	1.7
161.09648	3.1
161.13258	19.7
163.11201	3.2
165.09152	2.7
165.12784	10.3
171.11635	4.5
174.10419	4.4
175.03906	8.9
179.14319	2.3
189.12743	23.6
192.04204	3.4
192.18483	1.0
206.99672	3.2
207.06505	4.1
207.13826	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03970	0.6
55.01878	0.8
55.05510	2.4
57.03445	1.1
57.07065	1.3
58.99594	1.5
61.01156	3.5
62.17103	0.5
65.03953	1.9
67.05214	0.5
67.05504	3.1
69.03442	4.6
69.07077	2.2
69.72211	2.1
69.72627	1.0
71.04989	1.6
73.01156	4.7
75.02718	2.4
77.03952	0.7
79.05501	3.4
81.03420	2.0
81.07076	4.6
83.04984	1.2
85.01111	0.8
85.02921	3.1
85.06526	0.9
88.02242	1.1
91.02187	1.5
91.05485	21.3
93.07040	4.3
95.04960	1.6
95.08607	6.1
97.06540	1.0
98.99041	0.8
101.00624	4.0
102.96724	0.7
103.05454	1.8
104.98334	3.3
105.06376	1.0
105.07040	11.3
107.04963	1.5
107.08600	5.8
109.06522	3.7
109.10158	2.2
114.96766	0.9
116.98309	100.0
117.07011	1.4
117.98661	1.0
118.04160	0.6
119.04951	15.4
119.08585	15.0
120.08072	0.8
121.02869	0.8
121.06504	1.9
121.10156	4.6
123.04457	0.7
123.08070	5.7
123.11691	2.9
131.08592	2.1
132.02080	1.2
132.97774	9.2
133.06477	1.5
133.10130	4.4
135.11652	0.8
136.07573	0.7
137.09610	2.0
143.08543	2.0
144.08069	0.9
145.06537	0.9
145.10146	2.6
146.02197	1.2
146.93929	0.9
147.03255	0.7
147.04427	12.1
147.08066	3.7
147.11711	7.3
149.02356	2.0
149.09634	7.0
151.07607	3.9
153.35399	0.5
156.09384	2.6
157.03984	1.3
159.02988	1.7
159.08044	1.1
159.11693	0.9
161.09650	1.2
161.13289	7.8
163.11247	3.6
164.04669	1.1
164.95012	1.5
165.09132	1.3
165.12816	3.1
171.11725	2.6
174.03090	1.0
174.10416	2.5
175.03912	13.8
179.00194	0.6
179.07039	2.0
188.98643	1.2
189.09071	0.8
189.12767	18.9
192.04204	5.8
206.99693	19.7
207.06523	10.6
207.13812	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.58900	0.6
53.03955	1.2
53.36024	0.6
55.01876	0.9
55.05517	4.9
55.36841	0.7
57.03435	1.6
57.07076	1.0
58.99582	1.6
59.04996	0.8
61.01157	3.2
65.03952	2.0
67.05499	4.4
69.03433	8.2
69.07079	2.9
69.24391	1.4
69.24807	5.3
70.99574	0.7
71.04992	2.2
73.01148	5.1
75.02711	1.8
77.03937	1.0
79.05492	5.6
81.03416	1.9
81.07066	5.8
83.04988	2.3
85.01157	1.3
85.02917	2.5
85.06545	1.3
85.98619	0.6
87.05579	1.1
88.02250	1.0
89.03940	0.6
90.04720	0.7
91.02191	1.4
91.05489	27.3
93.07054	8.0
95.04979	3.0
95.08601	8.2
97.06538	1.2
98.21439	1.5
101.00622	6.0
102.96757	1.4
103.05486	2.0
104.98339	3.5
105.07037	18.4
107.04981	1.6
107.08588	6.1
109.06510	5.7
109.10186	2.0
111.08069	1.2
114.96778	0.8
115.05492	1.0
116.98312	100.0
117.07018	2.3
118.04192	2.2
119.04958	19.7
119.08586	24.7
120.08145	1.3
121.02948	0.7
121.06538	3.3
121.10143	5.3
123.08080	6.6
123.11733	1.7
125.09652	1.0
126.48829	0.7
128.06271	1.0
129.03462	0.6
129.07033	2.0
130.07793	1.3
131.08560	2.7
132.02078	1.6
132.97778	11.1
133.06502	2.8
133.10141	9.2
135.08057	1.1
135.11673	1.2
136.07587	2.5
137.05971	1.2
137.09619	2.1
137.13231	0.7
141.06975	0.8
142.03815	0.7
143.08562	2.1
144.08131	1.5
144.09239	0.9
145.06509	0.8
145.10132	4.5
146.02203	1.4
146.03619	1.0
147.04430	13.3
147.08060	3.5
147.11703	9.0
149.02356	3.3
149.09621	7.6
151.07552	8.2
156.09346	4.4
157.04002	0.9
158.02072	0.7
159.03006	1.6
159.08025	1.6
159.11711	2.6
160.08850	1.0
161.06039	0.9
161.09624	1.9
161.13261	16.8
163.11206	5.6
164.04724	1.8
164.94987	1.5
165.09135	2.2
165.12755	3.0
171.11676	3.6
174.10413	3.8
175.03925	16.4
177.01840	0.9
177.12657	0.7
179.00131	0.9
179.07042	2.5
188.98665	0.9
189.12761	43.7
192.04185	4.5
206.99683	21.3
207.06528	11.3
207.13809	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02387	1.3
53.03955	8.6
55.01882	1.5
55.05521	5.8
57.03445	0.8
57.07098	0.7
65.03944	2.7
66.04726	0.6
67.05511	23.5
69.03436	1.1
69.07073	7.8
70.29906	2.9
71.05001	2.7
73.01160	1.7
73.06567	0.9
75.02715	1.6
77.03936	1.6
79.05503	44.6
81.03431	1.3
81.07061	21.5
81.07523	1.3
83.04985	2.8
83.08630	3.6
85.01126	1.2
85.02918	1.1
85.06559	2.6
91.05489	55.7
93.07054	100.0
95.04978	14.0
95.08608	7.5
97.06546	1.6
97.10175	0.6
99.02694	1.8
99.08090	0.7
101.04321	0.7
103.05492	0.9
105.03424	0.7
105.04520	4.2
105.07040	27.9
107.04971	1.4
107.08604	11.1
109.06499	3.8
109.10167	2.6
111.08024	0.9
112.03535	0.8
113.04263	1.0
115.96448	6.0
116.97222	2.2
116.98308	1.2
117.07022	4.7
119.04980	3.6
119.08588	16.5
121.06525	2.1
121.10117	3.1
123.08091	5.6
123.11707	1.3
125.06005	0.7
127.07578	1.3
128.06219	2.0
129.06998	8.7
130.99892	0.8
131.08566	2.3
133.01375	0.6
133.10146	5.6
133.97475	3.0
134.02113	1.0
137.05975	1.7
137.09618	1.0
137.13144	0.8
142.99969	0.7
143.08574	6.5
145.10141	8.1
147.04417	2.6
147.08026	3.1
147.11700	52.7
149.02354	1.3
149.09618	2.4
151.07533	1.7
161.09631	3.3
161.13271	8.2
163.11206	1.5
164.04643	0.7
165.09135	0.9
165.12761	0.7
171.11711	18.0
174.10396	1.2
175.03876	2.6
184.00156	1.1
189.12784	12.5
192.04182	1.5
200.06786	0.6
200.24106	0.7
201.19542	0.8
207.06503	5.9
207.10040	0.9
207.12013	1.0
207.13795	24.0
207.17148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03952	2.0
55.05504	8.3
56.62440	1.7
57.03428	2.0
57.07061	2.0
57.79171	1.7
59.05006	2.3
67.05512	9.0
67.40231	2.0
67.98536	1.6
69.03445	9.4
69.07062	5.1
70.14981	7.4
71.04987	3.5
79.05499	15.0
81.03407	7.3
81.07059	17.5
83.04979	6.8
85.02901	7.8
85.06536	4.3
91.05486	31.4
93.07044	16.6
95.04945	6.2
95.08616	19.5
97.06516	2.6
103.05473	4.3
105.07040	51.8
107.04945	7.1
107.08617	21.0
109.06522	24.8
109.10155	5.8
115.05489	2.1
117.07031	5.9
119.04977	16.1
119.07801	3.9
119.08594	60.3
121.06506	4.8
121.10157	31.7
123.08088	21.9
123.11707	10.9
128.06227	5.4
129.06996	5.0
130.07782	3.4
130.98868	2.3
131.08577	15.6
133.06482	5.6
133.10158	21.7
135.08080	2.8
135.11652	5.5
137.09628	7.2
141.07002	3.1
143.08595	9.2
145.06461	2.5
145.10152	14.1
146.10873	6.3
147.04422	7.7
147.08046	14.8
147.11702	69.6
149.09633	45.6
151.07529	10.9
151.11142	1.9
156.09358	17.1
156.87785	2.1
159.08069	7.6
159.11667	2.6
160.08800	4.1
161.09624	6.4
161.13268	47.4
163.11208	15.8
164.04697	2.7
165.09221	2.7
165.12816	5.3
171.11691	11.4
174.10439	12.0
175.03906	9.9
189.12753	72.5
192.04221	3.1
192.47923	1.8
207.06511	11.2
207.13823	100.0
208.81969	2.3
227.22339	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.71684	1.4
53.03938	2.1
55.01873	3.6
55.05508	8.4
57.07069	2.8
65.03934	3.1
67.05513	11.6
69.03443	7.3
69.07069	8.6
70.61031	2.6
70.61423	4.4
71.04987	6.1
79.05511	9.6
81.03429	3.6
81.07058	13.0
83.04976	5.8
83.08617	2.9
85.02911	16.3
85.06552	15.6
88.17853	2.0
89.03888	1.8
91.05488	22.1
93.07053	14.5
95.04982	16.5
95.08611	19.8
97.06538	25.1
99.04472	1.9
103.05472	2.2
105.07047	27.5
107.08602	24.4
109.06523	100.0
109.10162	10.8
111.08089	60.2
111.08872	2.5
113.06027	2.6
117.07000	3.0
119.04961	12.8
119.08582	36.2
121.02860	1.9
121.06500	4.7
121.10143	21.3
123.04401	2.9
123.08067	28.8
123.11709	12.9
128.06296	1.7
129.06897	1.7
131.08546	5.9
133.06459	4.1
133.07413	1.8
133.10135	18.3
135.08095	7.1
135.11665	3.2
136.05176	2.2
137.09645	11.1
137.13234	5.3
143.08531	3.9
145.10107	6.1
147.04407	9.2
147.08052	9.7
147.11702	40.5
149.02399	1.9
149.05954	1.5
149.09634	36.4
151.07547	15.6
151.11205	2.0
156.09343	15.0
159.08083	6.4
159.11603	1.8
160.08786	1.9
161.09634	12.8
161.13268	18.6
163.11241	3.1
164.04716	5.3
164.08356	5.0
164.94945	1.8
165.09120	9.9
165.12775	27.1
165.25516	1.8
171.11699	20.8
174.03268	1.5
174.10429	12.5
175.03874	8.7
177.09064	2.3
179.07011	4.9
179.10732	3.0
179.14307	2.3
189.12766	42.8
192.04184	3.8
207.06598	13.6
207.13812	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03952	0.3
55.01871	0.7
55.05508	1.4
57.03437	0.7
57.07071	0.7
58.99595	1.6
59.05006	0.3
61.01151	2.8
65.03954	2.5
67.05511	2.0
69.03434	2.4
69.07077	1.1
70.06595	0.5
70.99580	0.7
71.04982	0.6
71.55640	0.4
72.00362	0.2
72.08126	0.3
73.01147	3.9
75.02708	2.2
76.03177	0.2
77.03930	0.7
77.53536	0.2
79.05489	1.7
81.03436	1.3
81.07065	2.0
83.04986	1.0
84.00346	0.4
84.08159	0.4
85.01147	1.3
85.02923	0.8
85.06560	0.3
86.09723	0.2
89.03928	0.8
90.04713	0.3
91.02196	1.4
91.05487	23.7
93.03432	0.4
93.07058	2.3
95.04983	2.0
95.08606	4.3
97.06548	0.6
98.99053	0.9
99.04435	0.5
101.00613	5.1
102.96751	0.5
103.05453	1.2
103.97511	0.4
104.02586	0.3
104.98331	2.8
105.03404	0.6
105.06377	0.5
105.07045	6.0
107.04959	1.0
107.08598	3.4
108.05782	0.4
108.97826	0.5
109.06506	2.0
109.10178	1.3
110.07153	0.3
110.28939	0.2
111.04427	0.5
111.08084	0.3
113.04234	0.4
114.96739	0.7
115.05406	0.3
116.98313	100.0
117.07018	0.6
117.98668	0.5
118.04163	1.9
118.99880	0.4
119.04955	20.3
119.08589	6.4
120.08127	0.7
121.02856	0.6
121.06548	1.2
121.10144	3.0
122.03613	0.3
123.08059	3.9
123.11705	0.7
125.02348	0.5
125.04240	0.3
125.09626	0.4
128.06245	0.4
129.03412	0.4
129.06982	0.7
130.07811	0.2
130.99849	0.2
131.04945	0.5
131.08588	1.1
132.02077	1.6
132.97783	8.7
133.02850	0.5
133.06470	1.1
133.10143	2.8
135.04428	0.9
135.08060	0.8
135.11697	0.6
136.05234	0.7
136.95497	0.3
137.05980	0.6
137.09645	1.9
137.13210	0.3
139.07578	0.2
139.73730	0.2
143.08580	0.8
144.08070	0.4
145.02890	0.6
145.10153	1.5
146.02275	1.5
146.03596	1.4
146.10835	0.3
146.93900	0.9
147.04419	16.0
147.08063	1.9
147.11702	4.3
147.94763	0.6
148.95549	0.4
149.02356	2.8
149.08543	0.4
149.09631	3.7
151.07535	1.5
151.11189	0.3
156.09358	0.8
157.03951	1.3
158.02090	0.2
159.02988	1.4
159.11749	0.9
161.06027	1.0
161.09628	1.0
161.13269	5.2
162.09155	0.4
163.03931	0.6
163.11194	2.9
164.04738	1.8
164.95021	0.8
165.09117	0.9
165.12766	1.5
171.11710	1.6
174.03165	1.0
174.10376	0.4
175.03926	17.9
177.01874	0.7
177.12758	0.5
179.00233	0.8
179.07089	1.9
179.08461	0.4
179.14288	0.7
188.98610	1.4
189.05406	0.4
189.09145	0.5
189.12738	5.7
192.02444	0.3
192.04211	6.8
206.99698	18.8
207.06520	13.5
207.09875	0.6
207.13824	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	206.1177
Annotation	Bellendine
Peak:m/z	Relative Intensity
53.03941	0.7
55.05502	1.4
57.07054	1.0
65.03931	1.0
67.05500	2.1
68.05023	0.7
69.07072	0.6
69.93444	2.5
78.04718	0.6
79.05498	3.0
80.05004	0.6
81.07059	1.3
81.49500	0.5
91.05486	16.8
93.07042	2.5
94.06569	2.2
95.04967	0.7
95.07331	1.0
103.05460	1.1
104.04969	0.5
105.06472	0.6
105.07047	5.1
106.06562	1.5
107.08578	1.4
108.08126	3.7
109.06532	0.5
109.10101	0.6
115.05457	0.7
116.05278	1.5
117.05742	1.6
117.07026	4.1
118.06567	2.7
118.07327	0.7
119.04967	0.9
119.07359	1.0
119.08588	8.1
120.08115	3.6
120.09390	1.2
121.08889	2.8
121.10136	0.8
122.06050	0.5
122.09656	0.8
128.06207	1.8
130.06566	2.6
130.07832	1.0
131.07315	2.0
131.08443	0.6
132.08098	6.3
133.08865	1.7
133.10141	1.5
134.09636	3.4
135.10439	2.0
136.11249	1.1
138.05521	0.6
138.09158	0.8
143.08621	0.9
144.08073	7.7
145.08884	40.1
145.10095	1.7
146.09659	15.7
147.04430	0.9
147.08034	0.6
147.10428	2.0
149.02350	2.0
150.02690	3.7
158.09631	1.7
160.11230	51.7
161.12007	2.6
162.12798	3.7
164.07051	3.0
165.07854	5.7
173.08366	1.2
176.07053	1.7
177.07913	0.7
178.08649	9.1
178.12209	3.5
179.06992	0.7
188.10698	5.7
190.08646	5.5
191.09431	6.7
191.14307	1.2
192.04207	0.6
206.11780	100.0
207.06601	1.1
207.12080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1178
Annotation	Bellendine
Peak:m/z	Relative Intensity
51.39314	0.4
51.74398	0.4
53.03933	0.7
55.05508	0.9
65.03944	1.1
67.05487	2.0
68.04999	0.5
69.07057	0.6
79.05489	3.2
81.03415	0.7
81.07057	0.9
83.04975	0.6
84.04494	0.6
91.05489	16.1
92.05788	0.5
93.07068	2.8
94.06579	2.7
95.04956	0.6
95.07346	0.8
95.08620	0.6
97.13057	0.4
98.21539	0.8
103.05462	1.2
104.06264	0.8
105.07042	5.4
106.06609	0.9
106.07253	0.4
107.07323	0.7
107.08597	0.9
108.08128	5.2
109.06488	0.5
109.10139	0.6
115.05444	2.0
116.05876	0.5
117.05770	0.8
117.07027	5.2
118.06530	2.7
118.07344	1.2
119.04958	2.4
119.07316	0.8
119.08585	7.4
120.08125	3.2
120.09360	0.7
121.02850	0.6
121.06487	0.5
121.08896	2.9
121.10156	1.0
122.09682	0.8
124.07552	0.4
125.33020	0.5
128.06258	2.4
129.06956	0.4
130.06525	2.5
130.07796	0.5
131.07336	2.7
131.08192	0.5
132.08098	7.4
133.06396	0.5
133.08850	1.3
133.10121	1.3
134.09663	2.7
135.04385	0.4
135.10461	0.9
136.07634	0.7
138.05501	1.2
143.08565	1.5
144.08090	7.8
145.08876	41.8
146.06866	2.6
146.09656	14.0
147.04398	1.6
147.10480	2.7
149.02354	1.5
150.02649	2.3
150.05441	0.6
155.06165	0.6
158.09624	1.3
159.10449	0.6
160.07690	1.0
160.11224	56.7
161.12010	2.3
162.12785	4.3
164.04643	1.1
164.07066	3.6
165.07870	6.0
173.08385	1.5
174.06360	1.6
175.03891	2.1
176.07034	0.8
177.07866	0.9
178.08640	10.5
178.12190	3.9
179.07060	0.8
188.10706	4.6
189.12657	0.6
190.08612	5.2
191.09425	6.4
191.14279	0.6
192.04247	0.5
206.11774	100.0
207.06519	2.9
207.12057	1.4
207.13811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1177
Annotation	Bellendine
Peak:m/z	Relative Intensity
53.03959	1.2
55.01861	0.8
65.03931	1.2
67.05514	2.8
68.99420	0.7
69.25294	1.1
69.25697	5.6
79.05502	2.6
81.03423	1.0
84.08138	0.9
91.05480	15.1
91.06011	1.3
92.05812	0.8
93.07047	3.3
94.06587	2.9
95.04987	1.5
95.07367	1.0
96.08148	1.1
98.20773	1.5
103.05450	1.3
105.07041	5.9
106.06541	1.1
107.08589	1.3
108.08117	6.4
110.07204	0.7
111.04461	0.6
113.04216	0.9
115.05423	1.5
117.07036	4.2
118.06548	2.1
119.04925	1.7
119.08581	9.3
120.08103	2.8
121.10143	1.3
122.09718	0.7
128.06252	2.1
130.06548	3.5
130.07767	0.9
131.07341	3.9
131.08290	0.6
132.08096	5.9
133.08865	1.0
133.10130	1.2
134.09654	2.5
135.10431	1.0
136.09349	0.6
136.11241	1.0
137.09595	0.8
138.05510	0.7
143.08575	1.5
144.08080	10.4
145.08873	58.9
145.10091	2.7
146.09648	20.4
147.04402	1.7
147.10472	4.2
149.02351	1.1
150.02669	1.5
158.09691	2.1
159.10439	0.7
160.11221	100.0
161.12000	3.4
162.12802	9.4
164.04710	1.1
164.07050	1.4
165.07831	2.0
173.08318	1.8
175.03896	1.2
176.07030	1.4
178.08676	1.5
178.12245	6.0
188.10680	9.5
190.08629	6.1
191.09438	5.4
191.14328	1.4
201.66550	0.7
206.11757	81.8
206.97650	0.7
207.06500	1.9
207.12001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
53.57124	0.6
54.03463	0.7
55.01883	1.2
55.05515	1.5
56.05037	1.2
57.03460	0.7
57.07076	1.1
58.07412	0.9
60.04520	1.0
64.44082	0.6
65.03951	9.2
66.46967	0.5
67.05510	100.0
68.05045	0.8
69.03429	1.9
69.07073	89.5
70.06599	2.5
70.07416	0.7
71.45540	0.6
72.04537	0.7
72.08152	1.8
79.05502	3.7
80.05031	0.9
81.03428	3.0
81.07080	1.6
82.02959	2.5
82.06580	1.5
83.01345	2.9
84.04508	12.1
84.08149	3.4
84.30588	0.7
85.02917	1.1
85.06587	0.6
86.09715	2.0
88.02225	1.2
88.10350	0.6
91.05497	5.1
92.05813	0.6
94.02921	1.2
94.06583	3.6
95.04976	81.2
96.04485	0.9
96.08110	0.7
97.02901	0.7
97.06543	1.6
98.21610	0.9
103.05489	0.8
104.05022	0.6
105.07010	4.0
106.06563	1.3
107.04953	2.1
107.07342	1.7
107.08604	2.2
108.04488	1.4
108.08105	1.3
109.06521	0.8
110.02415	6.7
110.06063	7.9
110.07211	0.9
113.06013	7.3
115.05449	1.4
116.05327	1.9
117.05762	1.8
117.07024	1.0
118.06553	1.5
119.04955	2.6
119.08594	0.7
120.08091	0.7
121.06525	0.9
122.03226	0.6
122.06032	1.8
122.09682	4.8
130.06509	1.0
130.08665	0.6
130.38792	0.6
131.07266	0.7
132.04462	3.1
132.08130	3.7
133.06503	2.3
136.07591	1.1
142.07425	1.1
146.05998	1.5
147.04433	2.1
147.06328	1.4
148.07614	1.0
149.02353	2.3
149.08394	1.0
150.02702	4.3
150.09151	20.2
152.12767	0.6
160.04247	0.7
160.07521	6.9
161.05962	0.7
175.03911	2.4
178.05118	7.2
178.08646	65.0
179.09021	0.7
182.99567	1.1
188.07845	1.2
188.09383	1.0
188.11476	0.6
189.07291	0.7
191.14340	1.6
201.00821	0.9
206.04709	9.3
206.08138	74.5
206.12196	2.1
206.15302	1.9
207.06563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0974
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
58.00803	0.4
65.03958	0.6
70.73285	1.4
74.02441	1.6
86.96101	0.5
91.05482	2.0
91.25169	0.5
94.34609	0.5
103.05479	0.9
115.05486	2.3
117.05761	1.7
117.07036	3.3
118.06553	44.8
120.08142	0.9
130.06543	2.8
132.08101	11.2
142.06512	5.3
143.07295	6.6
144.04526	1.0
144.08093	23.7
146.06018	100.0
147.06340	0.8
149.02332	4.8
159.07942	1.0
159.09190	10.4
160.07573	1.8
170.06000	8.0
188.07080	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
57.07063	0.7
65.03947	1.2
67.05511	2.3
68.05045	0.6
69.23325	6.2
73.01117	0.8
73.02898	0.7
75.02708	1.3
79.05499	2.9
80.05014	0.9
81.03417	2.0
81.07072	1.8
85.01130	1.0
88.02244	1.0
91.05485	17.9
93.07061	3.8
94.06573	2.5
94.07413	0.7
95.04973	1.3
95.07350	1.2
96.08135	1.0
98.21601	1.0
103.05463	1.5
104.06252	0.7
105.07040	7.2
106.06577	1.0
107.07373	1.0
107.08621	1.2
108.04482	0.9
108.08131	5.8
109.10123	0.7
115.05480	1.4
116.05325	1.5
117.05733	0.8
117.07013	5.7
118.06584	3.3
118.35780	0.6
119.05003	1.0
119.07320	1.0
119.08591	9.8
120.08117	3.5
120.09408	0.9
121.08892	1.9
121.10126	1.9
128.06216	2.8
130.06543	4.5
131.07324	4.5
132.08096	8.6
133.08890	1.3
133.10123	1.0
134.09695	2.7
135.10446	1.5
136.11240	1.5
138.05507	1.5
142.99850	0.6
143.08589	2.3
144.08089	11.9
145.08881	66.4
146.09653	22.6
146.10760	1.4
147.04436	1.0
147.10471	3.1
149.02339	1.9
150.02689	2.2
150.05521	0.7
158.09628	2.1
159.10420	0.8
160.11227	97.7
161.11958	4.5
162.12813	8.1
164.07030	2.9
165.07866	2.7
165.59201	0.6
173.08340	2.6
176.07074	1.7
178.08632	3.9
178.12277	6.7
188.07036	0.7
188.10698	9.9
190.08649	6.6
191.09456	6.4
191.14281	1.4
206.11775	100.0
207.06438	1.2
207.12079	2.0
209.22296	0.6
229.87158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20084	1.6
53.03973	1.9
54.37184	1.7
55.05496	3.6
57.06866	1.5
57.07085	16.9
58.99588	20.7
60.04497	2.7
61.01148	7.2
65.03940	9.6
67.05511	11.5
69.03426	6.9
69.05359	1.7
69.07064	20.2
71.54723	2.7
72.93784	3.1
73.01144	18.8
79.05499	9.0
81.07075	4.7
83.01392	1.8
83.04985	6.9
83.08610	1.9
84.04500	2.1
85.04851	2.0
87.02698	2.9
91.05486	7.6
93.03429	2.2
93.07056	7.6
95.04977	4.3
95.08620	5.5
97.02890	7.7
97.06533	29.3
98.07326	15.0
99.02690	1.9
101.03637	3.1
101.04251	36.2
102.64209	1.8
104.98277	2.9
105.07030	6.6
107.08593	8.0
109.02843	2.2
109.06551	2.8
109.10155	3.8
111.04478	2.6
113.04256	2.7
113.96438	5.1
115.05739	1.6
117.07003	3.9
119.08593	4.5
119.97888	2.3
121.02872	15.3
121.03956	3.2
121.06480	4.6
121.10134	7.0
123.11699	2.8
127.03838	2.4
127.05846	4.4
129.03696	12.5
131.08560	5.9
131.97455	5.7
133.10127	2.4
135.08032	5.2
135.11717	3.7
145.10161	7.1
147.11719	3.5
149.02348	100.0
149.09642	2.7
149.13258	2.1
159.11726	4.1
161.09656	3.7
163.11179	2.8
163.96840	2.2
177.12741	4.2
181.97946	2.1
187.11169	3.0
187.14841	3.0
205.05006	2.3
205.06941	2.3
205.08778	5.6
205.12477	9.9
205.14169	9.0
205.15871	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	204.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01882	0.5
56.05034	0.8
57.03442	3.8
58.06598	0.5
60.04530	6.2
60.08171	11.9
61.02927	2.1
68.05029	1.5
69.03437	2.2
70.39678	0.8
70.40031	0.6
71.04979	0.4
72.08165	0.9
73.02925	4.1
81.03452	0.8
82.06563	0.4
84.04512	3.5
84.08160	3.0
85.02912	100.0
86.03242	0.5
86.09721	0.6
87.10054	0.5
94.02663	0.5
96.04497	3.0
97.02903	5.4
98.06065	0.7
99.04460	1.0
101.00877	2.4
102.02423	1.0
108.02399	0.4
109.02905	0.7
110.06073	0.5
111.02928	0.9
113.00880	0.6
114.02410	0.8
114.05521	1.9
116.07147	0.4
119.01941	2.6
120.01997	0.4
121.01707	0.4
123.02910	0.4
126.05515	4.2
127.03978	0.5
129.02911	0.7
129.10245	0.4
130.04958	0.3
131.01929	2.7
132.03464	0.9
133.10558	0.4
137.02895	0.4
138.03452	1.3
138.05516	1.4
140.60327	0.3
143.01912	3.1
144.02022	0.7
144.03334	0.5
144.06578	0.8
144.10202	2.3
145.03467	0.8
145.04991	8.0
145.06137	0.5
147.03966	0.7
153.03961	0.6
155.01906	2.0
157.03508	0.5
161.02979	2.7
162.03075	0.6
162.04456	0.4
162.07649	0.4
167.01875	0.4
168.06546	0.7
173.02972	3.8
174.03122	0.6
175.02713	0.4
183.05067	0.7
185.02979	1.9
186.07600	0.4
197.03024	0.5
203.03960	1.2
204.08745	2.0
204.12318	17.8
221.04936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1597
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
51.54443	0.2
53.03932	0.4
53.79663	0.2
55.05267	0.4
55.05515	6.8
56.05037	4.6
57.03433	0.3
57.07082	0.6
58.06601	1.4
60.04531	10.6
61.02921	0.3
62.06087	0.3
67.05502	0.3
68.05046	1.3
69.03407	0.7
69.07073	1.6
70.06596	1.2
71.54533	0.4
72.16519	0.2
73.02925	0.4
74.06086	6.8
81.03413	0.4
81.07051	0.4
84.04501	3.4
84.08147	5.7
85.01146	0.3
85.02908	2.0
86.09721	2.5
88.07610	0.4
91.05457	0.6
93.07050	0.4
95.08613	0.3
96.04498	3.4
97.02902	2.9
97.10159	0.9
98.06037	0.6
98.09701	0.5
99.04443	0.4
107.08609	0.3
110.06022	0.9
110.32567	0.2
114.05556	2.8
114.12804	1.8
117.05571	0.2
117.07004	0.4
120.08112	1.1
121.02871	0.2
121.06505	0.4
126.05520	3.9
127.03944	0.6
129.10265	1.1
130.06508	0.7
132.04463	0.4
138.05498	0.9
140.14352	2.9
144.06584	0.7
145.04962	0.4
145.10139	0.5
146.06026	0.4
149.02370	1.9
156.06589	0.6
158.06029	0.8
158.15414	100.0
159.15778	1.0
168.06561	0.9
176.07083	0.5
186.07600	0.5
186.14934	0.9
188.07155	0.3
188.10721	0.5
189.11497	1.2
204.06837	0.5
204.08685	3.1
204.10266	0.2
204.13866	7.1
204.15979	8.7
205.12222	0.6
222.28795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1232
Annotation	O-Acety-L-carnitine hydrochloride
Peak:m/z	Relative Intensity
57.03447	1.4
57.15647	0.2
58.06599	0.7
60.04533	0.4
60.08173	11.5
61.18756	0.2
62.46335	0.2
69.03434	0.4
71.04388	0.4
71.04745	0.3
73.02938	0.5
81.03443	0.3
84.04507	0.3
84.08171	1.1
85.02913	100.0
86.03189	0.3
86.09704	0.4
87.10047	0.3
97.02908	0.6
103.64840	0.2
126.05554	0.3
131.01926	0.4
138.53555	0.3
143.01859	0.4
144.10225	2.8
145.04974	7.2
149.02974	0.3
155.01872	0.3
161.02963	0.3
173.03003	0.5
204.12334	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	204.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
56.05037	0.3
56.96568	2.7
57.03445	2.0
57.38593	0.2
58.06620	0.7
60.04532	3.3
60.08168	13.0
61.02934	0.9
65.46993	0.2
68.05040	0.4
69.03439	0.8
70.06594	0.6
71.05016	0.3
72.08163	1.5
73.02917	0.7
79.64494	0.2
81.50816	0.3
82.06577	0.2
84.04499	1.2
84.07635	0.2
84.08149	6.5
85.02910	100.0
86.03231	0.4
86.09714	0.5
88.04008	0.8
88.93777	0.2
90.51297	0.3
95.01338	0.3
95.06100	0.2
96.04502	1.0
97.02905	1.4
98.21530	0.4
98.97588	1.5
99.04461	0.3
101.00884	0.6
102.04054	0.5
103.02373	0.2
103.03954	0.2
105.46811	0.2
106.18375	0.2
110.07159	1.7
113.02386	0.3
114.05530	0.7
115.02424	0.4
115.52950	0.3
116.01701	0.3
116.03115	0.2
116.98634	0.5
118.08646	0.5
119.01913	1.1
120.02045	0.3
124.03966	0.2
126.05544	1.1
127.03921	0.4
128.02341	0.3
129.07875	0.5
129.10286	1.5
129.93999	0.3
130.08650	1.2
131.01895	0.7
131.03589	0.2
133.01617	0.2
133.03424	0.3
137.02905	0.4
138.05505	0.5
140.05025	0.2
140.14427	0.2
141.10222	0.3
143.01866	0.4
144.10222	2.4
145.04967	8.3
147.11267	0.4
148.03935	0.2
152.79022	0.2
155.01953	0.3
156.07715	0.4
158.06390	0.3
159.11320	0.3
161.02972	0.7
161.04559	0.3
162.97366	0.4
173.02956	0.8
180.98418	0.8
185.02815	0.2
187.10783	0.5
204.08627	0.6
204.12294	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	203.1394
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
56.05025	0.8
56.96568	0.7
59.58116	0.7
60.04530	2.4
68.05039	0.9
69.07098	0.7
69.73561	1.5
69.73973	2.1
70.06606	1.0
72.08157	1.8
72.90668	0.8
81.79651	0.7
82.97952	0.7
84.04518	1.0
84.08150	2.8
85.51250	0.6
86.09714	100.0
96.04508	0.9
97.02912	1.3
98.97599	1.4
112.11262	1.8
114.05536	1.3
116.98585	0.8
119.01969	0.8
124.36863	0.6
126.05515	1.6
129.10252	1.4
129.13913	0.6
132.10219	75.4
133.10545	0.9
149.96094	0.7
157.13373	11.0
167.26749	0.7
203.13948	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	203.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72144	4.3
55.05515	9.7
56.96568	6.9
58.99589	47.4
60.04517	13.7
61.01156	48.1
67.05521	26.3
69.07073	100.0
70.15289	20.9
73.01148	73.1
79.05488	23.4
81.07062	22.6
83.08613	7.6
84.04523	9.6
86.09718	5.5
87.02697	16.3
91.05495	14.5
92.98343	14.7
93.07033	7.2
95.04986	18.3
95.08614	19.4
96.05772	6.0
97.01099	6.1
97.02881	6.2
97.06547	53.6
98.07316	16.3
99.02690	13.5
101.04258	38.5
104.98327	62.0
105.07043	16.8
106.99892	7.7
107.08588	12.2
109.06535	12.0
109.10168	21.1
111.02676	22.0
111.08096	8.4
112.03477	40.1
113.04244	76.2
115.05811	47.3
116.97240	9.5
116.98314	14.5
117.07020	6.5
118.99911	8.5
119.08619	13.5
120.96502	9.3
121.10158	8.3
123.08096	7.0
126.05523	14.1
129.03725	35.6
133.01421	5.2
133.10168	15.4
133.67667	5.1
137.09622	31.0
138.10434	11.3
141.07263	7.0
142.99861	12.6
145.01399	61.3
145.10138	9.7
147.02992	17.5
147.08083	8.2
157.06866	6.2
175.06158	10.6
175.11234	5.1
185.04567	9.9
185.09583	6.0
185.13428	5.8
203.05563	73.2
203.07059	5.2
203.10716	12.8
203.14360	21.8
203.18007	18.9
204.08568	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	203.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.6
56.15923	1.2
56.96562	3.7
57.07074	1.6
58.99591	63.1
59.96732	3.7
60.04526	1.9
61.01155	11.5
65.03935	4.4
67.05511	26.4
68.06292	2.9
69.07072	28.3
70.07829	2.2
70.99598	1.4
73.01147	100.0
78.96792	1.2
79.05496	10.7
81.07066	4.5
83.04986	2.0
84.96115	1.3
85.01126	6.1
87.02702	2.8
91.02200	2.5
91.05470	2.9
93.07066	2.0
95.04987	6.8
95.08643	3.1
96.05758	9.3
97.01072	1.8
97.06536	39.5
98.07310	2.5
98.21539	2.1
99.02697	8.1
101.04251	86.7
103.97565	3.0
104.98320	12.9
105.07006	3.2
106.99868	2.0
107.08601	4.2
107.13062	1.4
109.10168	5.3
110.93977	1.9
111.02686	5.6
112.03455	11.2
113.04241	65.8
115.02193	9.5
115.05787	7.6
116.98314	3.5
117.07030	1.2
118.99868	12.6
119.08576	2.6
120.96490	1.8
121.10201	1.4
123.08165	1.8
126.05525	1.9
127.05806	2.2
129.03711	51.9
129.07094	1.2
130.04489	20.1
131.05292	20.7
131.08559	1.3
133.01462	2.7
133.10143	3.9
137.09630	2.4
141.07338	3.1
142.99873	7.0
143.08582	1.8
144.00674	3.9
145.01411	9.1
145.10152	2.2
147.02974	2.1
147.11681	2.1
151.05765	1.3
153.29990	1.1
161.09566	1.6
161.13330	2.1
169.06911	1.7
175.03876	1.5
175.06259	1.8
177.89233	1.3
185.04488	3.6
185.13274	1.5
190.70006	1.3
203.03841	2.3
203.05585	15.2
203.10684	2.2
203.14319	6.9
204.08672	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89516	0.7
56.96565	3.3
58.99866	1.9
70.61954	0.6
71.53620	0.8
75.23004	0.7
77.86047	0.7
82.01447	28.8
82.99847	1.5
84.08147	3.7
85.08449	1.1
98.97587	7.4
100.02487	97.1
101.00884	23.1
101.02650	1.2
101.97167	0.7
102.00937	4.6
102.96867	2.6
103.00615	1.6
116.98608	4.1
118.02653	1.1
118.03528	44.3
119.01927	100.0
120.02012	17.8
120.97907	1.4
121.01660	6.3
121.02386	1.0
123.04027	1.3
124.02488	1.4
125.02514	1.0
131.01920	1.6
133.03514	1.5
134.99683	2.2
137.02962	32.0
137.05797	0.8
138.03021	4.4
138.98956	1.1
139.02663	2.0
141.05104	1.0
142.03493	16.2
143.01878	2.7
143.03615	8.6
144.03259	2.5
144.70154	0.7
156.96394	1.1
156.97491	2.9
157.03458	5.8
157.49088	0.7
160.04613	4.6
161.02972	18.2
161.04701	2.8
161.97052	0.9
162.03127	3.1
162.04308	1.0
173.03085	0.7
174.98581	1.6
175.04517	2.1
175.71631	0.6
177.00954	4.4
178.00996	1.9
178.49484	1.6
179.00697	5.3
179.04015	18.3
179.31969	0.7
179.98064	26.5
180.04039	7.0
181.03674	0.8
185.02879	0.8
185.04572	0.7
188.49352	1.9
188.99275	1.9
190.99529	2.1
191.49431	5.0
191.99541	0.8
196.94537	0.8
197.48259	0.9
197.99179	65.0
198.99319	1.6
199.48367	0.7
199.50078	2.5
200.00095	7.8
200.49954	8.2
201.00024	2.3
201.49916	0.7
203.00230	1.5
203.02162	1.4
203.03970	2.0
203.05847	0.7
208.97607	0.8
212.00826	2.4
214.92076	0.8
214.95595	2.8
221.01819	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	200.1284
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.00327	0.3
55.05517	0.6
56.05041	1.2
57.03444	0.8
60.04532	0.6
68.33136	0.4
69.03436	1.1
69.07082	2.4
69.90700	1.6
70.06598	1.4
71.08640	6.9
72.08157	1.2
74.64868	0.4
81.56154	0.3
82.06599	0.4
83.49338	0.4
84.04514	15.8
84.08174	1.2
85.02914	28.9
86.06100	0.4
86.09715	12.3
87.04483	1.1
87.05587	1.2
87.10059	0.8
88.11316	1.9
91.05518	0.4
92.05787	0.5
93.07064	0.5
95.01337	2.6
95.04955	0.5
96.08163	2.3
98.02445	1.3
98.97581	0.9
102.05554	14.7
110.09689	0.6
112.03991	2.1
113.10766	0.5
116.98619	0.6
117.07024	0.4
118.96724	0.5
122.06832	0.8
129.10220	0.4
130.05017	100.0
131.05338	0.6
134.99684	0.5
138.09212	1.9
141.10252	2.8
145.06572	0.5
155.11816	2.9
172.13326	1.0
173.05978	1.2
173.12833	0.4
176.98431	0.7
182.09041	1.8
183.11310	0.7
188.00278	0.3
200.12840	89.7
200.19060	1.1
201.05492	1.7
201.13167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32317	1.0
55.05513	1.4
57.03437	1.4
57.07073	1.3
58.99601	7.4
59.93114	1.6
61.01153	6.0
63.95313	0.9
65.03940	11.8
66.74447	0.9
67.05500	7.1
68.06284	1.6
70.99577	1.7
71.04995	1.4
71.55074	1.1
72.00369	2.2
73.01151	12.2
77.94154	1.6
79.05463	1.7
81.03393	1.9
81.07036	1.9
83.04977	1.2
85.01128	4.8
86.58738	0.9
91.05480	1.5
93.07045	2.5
95.04974	16.9
95.08610	2.2
96.05761	27.4
97.01134	1.8
99.02696	8.4
102.96739	1.8
104.98328	4.3
105.07019	3.8
109.06522	1.1
109.10172	2.5
111.02679	2.3
113.04195	1.5
114.95660	1.1
116.98315	1.9
117.07045	1.5
118.96766	12.0
119.08579	1.7
121.06544	2.0
125.04195	4.1
127.02153	100.0
128.02977	5.0
129.03708	1.2
131.08557	2.6
132.96742	1.2
133.99101	2.4
136.08803	5.2
136.95467	1.8
137.09621	2.7
139.05742	3.6
142.99879	2.1
144.00633	2.7
145.10118	2.8
149.04263	1.7
150.05006	1.7
150.95811	1.0
154.96474	3.8
158.99380	2.1
159.11696	1.9
167.05280	2.2
168.06000	1.6
169.01379	1.1
177.98065	9.5
183.02979	2.6
184.03720	2.2
201.04030	25.2
201.05743	2.2
201.09102	2.0
201.12733	3.5
201.16403	3.2
223.31122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1331
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.05523	20.9
57.03431	1.2
57.07082	13.2
57.82440	1.1
57.93552	1.3
67.05511	4.3
69.07070	3.3
71.28610	2.9
71.65804	1.3
74.09727	11.2
79.05503	2.6
81.07056	4.2
83.04993	12.3
83.08611	1.9
83.83688	1.3
85.06565	6.4
91.05492	5.0
93.07062	9.8
95.04979	1.4
95.08615	12.1
97.06541	4.5
100.07634	3.3
105.07041	5.5
107.08607	21.0
109.06525	5.2
109.10139	2.0
111.04453	100.0
111.08083	5.0
113.06036	1.9
116.97232	13.7
117.07005	1.3
121.06486	2.8
121.10189	3.1
125.06012	27.2
127.07535	2.7
130.07791	2.0
131.99559	2.5
134.95862	2.2
135.08080	16.4
135.11708	19.5
137.09720	1.4
139.07535	2.9
143.08629	1.4
145.10136	20.5
149.11351	1.3
152.96913	5.2
153.12740	4.2
157.10185	1.3
163.11198	20.3
175.98587	9.7
181.09744	1.5
181.12262	29.8
181.13852	1.4
189.06923	1.4
199.11189	2.1
199.14899	1.9
199.18919	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	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61201	1.0
55.05507	1.4
56.96569	18.6
57.03430	2.8
61.02925	1.7
61.25358	1.1
67.09324	1.0
69.03425	2.6
70.06580	3.4
70.27480	0.9
70.40123	3.6
71.95267	1.7
72.08151	2.4
73.02909	3.1
82.01465	1.2
82.06584	2.0
84.04498	2.5
84.08157	5.1
84.96018	2.0
85.02901	4.2
86.09696	3.9
87.04430	1.3
97.02897	2.5
98.97591	100.0
100.02495	2.6
101.00855	2.9
106.09563	1.0
110.01293	1.3
110.07151	1.4
110.97579	5.2
113.00852	1.5
116.98627	60.2
118.03525	1.6
119.01909	10.3
127.03857	1.6
128.02306	1.5
128.07092	2.6
128.98607	6.2
129.10242	3.0
131.00191	1.8
131.01894	12.7
133.03508	1.6
134.99672	24.0
136.06157	1.3
137.02939	2.8
140.00169	1.8
140.02306	1.0
142.08662	1.3
146.99669	3.5
149.02922	4.2
153.00714	3.0
154.03458	6.9
154.12245	4.3
155.02809	1.6
156.04964	1.2
157.97453	1.2
158.01239	4.3
158.99657	3.1
170.99687	1.4
172.04564	2.3
173.02921	1.9
175.11954	1.5
176.02316	1.7
177.00717	7.1
177.02451	5.1
182.02957	4.9
182.92064	1.1
183.06514	1.3
189.00768	1.5
191.04041	1.6
195.01796	1.4
199.18814	2.1
200.04086	8.4
200.12756	3.4
201.00658	1.5
201.02444	1.5
218.05164	2.3
219.03506	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	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62501	2.0
56.96561	4.4
58.21729	2.1
67.91754	2.1
71.30957	3.3
82.01450	4.7
82.99877	2.3
84.08134	8.4
98.97591	31.4
100.02481	16.7
101.00886	27.4
116.98637	17.4
118.03509	6.5
119.01928	100.0
124.02430	5.3
134.99666	8.3
137.02979	23.7
142.03505	45.7
143.03653	3.5
158.99965	2.0
160.04567	13.6
161.02966	20.8
177.00963	3.8
178.01047	4.8
179.00684	4.4
179.04034	28.9
179.98109	5.8
187.47749	3.6
187.99277	3.0
190.99512	2.4
196.48312	4.3
196.98013	7.5
197.99242	9.1
199.50060	17.8
200.00116	5.1
220.02151	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	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01826	1.6
55.05466	38.0
55.05758	2.9
57.03403	1.4
57.07060	1.4
57.93527	1.1
67.05505	3.6
69.03433	4.1
69.07062	6.1
70.06569	0.8
71.05001	3.9
71.12469	1.5
72.04475	0.8
74.09717	5.6
75.94594	1.1
79.05499	5.5
81.03371	0.6
81.07070	7.2
83.04958	2.7
83.08626	17.2
83.36491	0.6
85.02910	52.0
85.06528	0.8
86.09682	2.0
89.00635	0.8
91.05465	2.2
93.07047	7.7
95.04983	6.6
95.08614	7.1
97.02892	4.5
97.06535	6.0
97.10147	1.7
98.10563	0.6
98.21365	0.7
99.04445	2.5
100.07653	3.6
100.11258	8.2
105.07031	2.5
106.25555	0.6
107.04962	1.2
107.06096	0.7
107.08613	3.2
109.06539	1.4
109.10162	1.3
111.04448	100.0
111.08072	1.5
112.07577	0.6
113.05997	2.3
113.24271	0.6
116.97239	7.4
117.07021	1.4
119.08592	2.9
121.06537	2.3
121.10160	7.8
123.08065	6.2
125.05995	3.2
128.06271	0.9
129.07054	0.6
131.99599	1.8
134.95973	0.7
135.08101	0.6
135.11726	1.8
137.09653	1.1
139.11223	5.6
142.07825	2.0
143.08630	1.7
145.10155	3.8
148.96268	0.6
152.97015	2.4
153.06679	1.1
153.12770	3.0
155.08649	0.9
156.09433	0.8
157.10190	2.1
163.11223	6.6
167.01743	1.4
169.10246	1.3
170.10997	1.0
171.11792	1.4
175.98573	4.8
181.08788	2.0
181.12236	20.8
182.15454	0.9
184.12561	1.1
199.04199	2.9
199.06104	0.8
199.07753	1.6
199.11488	1.1
199.13448	7.9
199.15047	4.8
199.19002	23.8
200.14488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0967
Annotation	Stagonolide D
Peak:m/z	Relative Intensity
51.02301	0.5
53.03826	2.5
53.04112	1.6
55.01755	1.1
55.02042	0.6
55.05384	1.6
55.05678	0.7
57.06979	0.4
57.93469	0.7
57.93731	0.5
63.15934	0.3
65.03812	1.6
65.04179	0.7
67.05404	0.6
67.05727	0.4
69.06939	1.5
69.07336	0.4
70.06494	0.5
70.56106	0.8
70.56452	0.4
71.04907	0.4
72.04412	0.6
72.08024	1.1
74.09587	2.9
74.10046	0.6
75.94512	0.4
77.03803	0.9
77.35600	0.3
78.04614	0.6
79.05365	2.4
79.05854	0.4
81.03284	1.2
81.06937	0.8
83.04862	0.8
83.08492	1.1
83.08953	0.4
85.02799	0.7
86.09573	5.3
91.05352	31.6
91.06280	1.1
92.06151	1.3
93.03312	0.8
93.06918	22.8
93.07571	2.4
95.04843	6.5
95.05492	0.6
95.08511	0.9
97.02795	0.4
97.06445	0.8
98.96124	0.3
98.97511	0.4
100.07499	1.2
103.05346	16.2
103.06099	1.0
104.98216	0.3
105.03289	1.0
105.04404	2.0
105.06911	0.9
106.04086	0.5
107.04837	1.6
107.08530	0.6
108.05680	0.5
109.02782	1.2
109.06404	0.9
110.03548	1.0
110.07169	0.4
111.02565	0.6
111.04452	3.9
113.05911	0.6
116.97236	6.2
119.04958	4.8
119.08537	0.5
120.05734	4.1
121.06519	32.5
121.07742	1.0
121.10023	0.6
122.06823	0.4
123.04450	3.5
123.07954	0.6
124.05162	0.4
125.05975	2.4
127.03870	0.5
128.06157	0.3
129.06876	0.4
130.04881	0.4
131.04840	1.2
131.05942	1.0
131.99458	1.3
133.02881	4.1
134.95851	0.8
135.04347	0.4
135.07991	0.7
135.11671	0.3
136.05101	1.2
137.05983	4.3
138.03172	0.3
138.06784	3.5
139.03873	0.6
139.07561	1.6
142.07764	0.5
143.08459	0.7
143.11665	0.5
147.04431	3.0
148.04132	0.4
148.05193	4.6
149.06004	9.9
151.03914	5.7
152.96910	2.5
153.05490	1.1
153.06616	0.6
153.09048	0.5
155.07030	0.4
157.10081	0.7
157.97513	0.4
164.06972	0.3
165.05493	0.4
166.06273	22.6
167.01588	1.0
167.06967	0.3
168.07352	0.5
169.04935	2.1
170.97964	0.4
171.11623	0.7
175.98540	4.6
181.08611	100.0
182.08113	1.0
199.04288	1.3
199.06078	1.1
199.07692	0.5
199.09692	0.9
199.11464	0.4
199.13261	0.5
199.14946	2.0
199.18930	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	198.9856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67074	0.3
56.96562	1.0
59.48215	0.3
66.84427	0.3
70.62102	0.3
70.62425	0.6
74.76968	0.3
87.21436	0.3
98.97588	3.0
100.02509	0.4
101.00886	1.5
102.94395	0.3
116.98658	1.7
119.01946	3.7
120.02107	0.4
120.95405	1.3
132.03307	0.4
134.99617	0.5
137.02914	0.5
138.96419	9.7
145.98613	0.3
154.94241	0.6
155.99657	0.4
156.03198	0.3
156.97487	96.9
157.97519	2.1
158.97882	0.4
170.99030	0.8
171.59804	0.3
172.95267	1.3
174.98549	100.0
175.98604	1.9
176.98962	0.5
179.99094	1.6
180.97528	0.8
180.99232	0.4
189.00154	1.0
190.96291	0.4
198.00212	1.4
198.18544	0.6
198.98543	18.2
199.18845	0.4
214.00258	0.3
216.96225	1.1
216.99605	42.6
217.99744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0967
Annotation	Stagonolide D
Peak:m/z	Relative Intensity
51.57711	0.4
53.00217	0.4
53.03829	3.0
53.04113	1.6
55.01755	1.2
55.02044	0.6
55.05395	2.0
55.05686	0.8
57.06982	0.5
57.93469	0.8
57.93717	0.5
65.03819	1.9
65.04185	0.9
67.05379	1.2
67.05752	0.7
69.06941	2.0
70.06495	1.0
70.07325	0.5
71.38949	0.7
72.04433	0.6
72.08036	1.3
74.09586	3.2
74.10043	0.8
75.94527	0.8
77.03800	1.1
78.04617	0.6
79.05361	2.0
81.03310	0.9
81.06927	1.5
83.04891	0.8
83.08492	1.4
83.08923	0.5
84.04417	0.8
84.08056	0.4
85.02782	1.4
86.09580	9.8
86.10159	1.0
91.05355	33.3
91.06278	1.1
92.06154	1.3
92.06647	0.4
93.03320	0.8
93.06924	25.1
93.07573	2.3
93.95562	0.4
95.04847	6.3
95.08534	0.9
97.02761	0.5
97.06437	1.0
97.10090	0.5
100.07509	1.6
100.14368	0.4
102.04607	0.4
103.05348	17.5
103.06100	1.0
105.03371	0.7
105.04400	1.7
105.06915	1.6
106.04128	0.8
107.04858	1.2
107.05956	0.4
107.08489	1.0
109.06432	0.9
109.10092	0.5
110.03569	0.9
110.07116	0.4
111.02587	0.8
111.04434	6.2
111.07981	0.4
116.97231	8.9
118.89784	0.4
119.04955	5.1
120.05737	5.3
121.06509	33.7
121.09991	0.7
123.04430	4.3
123.08017	0.8
124.05163	0.5
125.06014	2.2
128.06131	0.5
129.06972	0.4
130.04903	1.5
131.04832	1.2
131.05951	1.3
131.99545	2.2
133.02852	3.8
134.03551	0.6
134.95793	1.0
135.04378	0.6
135.07982	1.2
135.11604	0.6
136.05107	1.5
136.07486	0.6
137.05972	3.9
138.06761	3.3
139.02036	0.9
139.07542	1.9
140.04630	0.7
142.07626	0.5
143.08492	0.8
147.04431	3.1
147.37575	0.4
148.05183	4.9
148.96182	0.7
149.05995	9.5
151.02901	0.5
151.03925	4.9
152.07086	0.5
152.96906	2.5
153.05522	2.1
153.06665	0.8
157.10081	1.1
157.97467	0.9
166.06268	21.8
167.01651	2.1
167.03317	0.5
167.06973	0.5
169.10194	0.4
170.97997	0.6
175.98552	7.2
181.08600	100.0
182.08151	1.7
199.04234	3.4
199.06116	1.5
199.07803	0.5
199.09634	0.9
199.11278	1.2
199.13077	0.6
199.14854	1.7
199.18912	21.0
200.12917	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03951	2.8
55.01877	3.3
55.05286	0.9
55.05518	6.9
55.93524	1.0
56.96575	0.8
57.03455	1.3
57.07072	1.3
58.99591	1.1
59.04995	3.7
62.99081	0.7
65.03938	1.7
67.01870	2.1
67.05510	8.8
69.03431	17.3
69.07066	3.7
69.52184	2.9
69.52594	2.2
70.03771	0.7
70.95869	11.0
71.05010	1.4
72.93786	6.8
73.01140	2.4
73.02920	1.1
78.96785	1.9
79.05493	11.2
80.94711	0.8
81.03420	1.2
81.07053	9.5
83.01340	1.0
83.05015	2.1
83.08623	2.3
84.32948	0.7
85.02919	1.1
85.06551	1.7
85.60387	0.8
88.96908	2.6
90.94802	1.2
91.02216	1.8
91.05481	18.3
91.06009	1.3
93.03432	0.9
93.07046	20.5
93.85371	0.7
95.01334	2.0
95.04974	13.4
95.08620	4.8
96.97809	6.6
97.02892	11.9
97.06540	4.0
99.04455	1.7
101.02363	1.6
101.04256	1.2
104.98322	0.7
105.03445	1.2
105.07032	24.2
106.07375	0.8
106.97886	1.1
107.04967	2.2
107.08600	49.8
109.06531	5.8
109.10169	6.9
111.04398	1.7
111.98478	11.2
113.02378	0.7
113.04243	2.4
113.96416	2.1
115.03873	1.6
117.07005	0.7
119.04963	2.3
119.06042	0.8
119.08599	6.9
121.06524	3.8
121.10186	2.5
123.04448	7.8
123.08107	1.1
123.11711	2.8
125.02361	100.0
125.05973	6.5
127.03935	3.0
129.99506	6.9
131.08582	2.2
132.95845	19.5
133.10138	53.3
135.04468	1.2
135.08090	1.3
135.11694	36.0
137.05972	8.7
137.09618	4.5
141.05502	1.0
143.03455	0.9
143.08569	1.3
146.07280	1.0
147.00996	0.8
150.96901	26.8
151.03908	7.6
151.11186	6.1
152.32864	0.8
153.05521	0.8
155.08583	1.3
155.10719	0.9
155.97432	13.5
161.08311	1.2
161.09634	24.0
167.07066	0.8
167.08479	1.5
167.10638	1.0
168.98032	1.0
169.04958	5.4
169.10190	1.2
173.98499	17.1
179.03528	1.4
179.10683	68.8
180.11072	1.6
182.10869	1.5
197.00209	1.0
197.04524	6.7
197.06116	1.2
197.11743	44.6
197.13181	2.3
198.18521	14.5
203.50380	0.7
205.25165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03934	2.4
55.01859	5.1
55.05511	6.9
55.93518	1.4
57.03430	1.2
57.07069	2.6
61.02917	1.2
65.03934	1.1
67.01887	1.0
67.05516	7.7
69.03419	3.8
69.07066	5.3
69.47694	6.2
69.48107	2.1
70.95867	21.4
71.04980	2.8
72.93459	1.0
72.93801	10.9
73.01135	2.3
73.02928	1.7
79.05499	11.5
81.03415	1.6
81.07065	15.5
83.04971	1.2
83.08633	1.7
84.04541	5.1
84.08145	1.8
85.02906	1.9
86.09686	1.8
88.96905	2.4
90.94805	1.9
91.02188	1.9
91.05482	18.2
93.07048	20.9
95.04983	7.8
95.08613	6.2
97.02890	2.6
97.06525	4.0
97.10125	1.1
98.20815	2.2
99.04457	3.5
101.02379	6.5
105.03378	1.9
105.06391	2.3
105.07039	28.5
107.04955	2.7
107.08601	100.0
108.08917	1.9
109.06512	6.0
109.10150	6.6
111.04452	2.3
111.98477	17.4
113.96415	2.6
119.04930	3.1
119.06103	1.4
119.08585	14.4
120.07594	1.0
121.06490	3.1
121.10153	19.5
123.04408	8.5
123.08039	4.3
123.11704	3.6
125.02354	17.3
125.05978	4.8
125.09646	1.4
127.03912	3.4
129.99522	11.1
131.08559	2.8
131.97354	1.3
132.95850	34.2
133.06461	1.9
133.10136	58.5
135.11674	4.8
137.05995	13.1
137.09572	4.0
137.91762	1.2
139.07562	6.8
140.04633	1.1
141.05498	1.1
143.08539	3.4
146.07262	1.6
149.09630	11.6
150.96904	48.7
151.03929	9.9
151.07549	3.9
151.11195	21.0
155.07117	2.2
155.08380	1.3
155.97435	23.8
161.09648	19.1
167.07048	5.8
167.08293	1.1
167.09340	1.6
167.10686	26.5
173.98514	31.3
179.07187	1.4
179.10680	44.8
197.00067	2.6
197.04431	5.4
197.11720	56.0
198.12186	1.7
198.18565	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02386	0.9
53.03943	1.4
55.01868	2.0
55.05504	3.6
57.03436	1.4
57.07095	1.3
57.97913	0.6
59.05007	2.3
64.44209	0.6
65.03938	0.9
67.01884	0.7
67.05511	7.7
69.03429	1.8
69.07066	2.8
70.06618	1.6
70.29774	0.7
70.70080	2.0
70.95871	5.0
71.04992	0.8
72.93800	3.9
79.05486	9.0
81.07062	5.2
83.04997	1.9
84.04511	0.9
84.08145	1.8
85.02903	1.5
88.44792	0.7
91.05483	19.7
93.07043	24.0
95.04971	13.8
95.08612	3.1
97.02912	1.2
97.06539	1.5
105.03396	1.0
105.04615	0.7
105.07030	29.2
107.04948	1.3
107.08597	68.2
108.08902	0.7
109.06538	6.3
109.10184	5.4
111.04433	2.7
111.98489	5.3
113.06022	1.3
117.07021	0.9
118.07864	0.8
119.04948	3.0
119.06062	1.1
119.06874	2.1
119.08586	8.0
120.09439	0.7
121.06522	6.7
121.10182	1.5
123.04432	9.3
123.08062	2.1
123.11734	3.2
125.02338	3.9
125.06007	1.5
128.06241	0.9
129.99496	2.5
131.08572	3.1
132.95847	12.0
133.10132	68.5
134.10365	0.8
135.08051	2.2
135.11697	51.8
137.05972	4.3
137.09595	3.7
139.07544	2.1
140.04683	1.3
140.14333	0.9
143.08624	1.3
146.07271	0.9
150.96892	12.4
151.03899	6.2
151.07559	1.4
151.11160	5.3
154.15903	2.8
155.07030	0.9
155.97400	7.2
161.09627	34.5
167.07071	7.9
173.98488	10.0
175.02679	0.7
179.10675	100.0
180.11021	1.8
197.04596	5.0
197.11734	62.9
198.18524	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	197.1175
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
51.02384	1.0
53.03953	5.6
55.01880	8.2
55.05309	0.9
55.05514	9.1
55.93499	0.7
57.03433	1.1
57.07058	2.2
58.61614	0.9
58.99571	0.7
59.04988	2.7
62.99075	1.7
63.99847	2.4
64.04520	0.8
65.03933	4.0
67.01866	8.1
67.05508	28.0
68.99797	0.9
69.03091	1.7
69.03435	29.1
69.07071	6.1
69.36398	6.6
70.06577	1.4
70.95525	1.5
70.95873	14.8
71.01334	1.3
71.04996	23.1
72.93796	8.2
73.01131	2.6
73.02897	1.6
76.27704	0.8
77.03910	2.3
78.96798	3.9
79.05498	27.2
80.96339	1.0
81.03432	3.7
81.07065	11.1
83.01363	5.5
83.04987	19.8
83.08627	5.8
84.04507	0.9
84.08128	1.2
85.02915	3.9
85.06541	2.1
88.96899	3.3
90.94811	1.3
91.02161	1.9
91.05488	8.7
93.07053	10.2
95.01335	5.5
95.04976	55.7
95.08618	5.1
96.05283	1.1
96.97211	1.2
96.97820	19.8
97.02900	16.4
97.06538	8.3
97.10123	1.2
99.04441	2.2
101.02386	1.2
105.03419	5.1
105.04506	1.7
105.06377	1.4
105.07037	13.8
107.04956	7.8
107.08602	36.6
108.99446	3.8
109.02869	2.8
109.06528	12.0
109.10169	16.6
110.41724	0.8
111.04414	3.6
111.08089	1.3
111.98484	13.2
113.02358	1.4
113.04254	1.2
113.06016	42.1
113.96399	1.8
115.03852	1.0
115.05804	1.5
119.04943	1.0
119.08578	6.1
121.02866	1.8
121.06498	2.2
121.10141	5.5
122.07314	1.2
123.00794	3.7
123.04441	37.2
123.08039	2.4
123.11719	3.9
125.02359	100.0
125.05953	4.0
125.09632	1.2
127.03871	0.9
127.07562	1.6
128.06200	0.7
129.99529	6.9
131.08598	1.7
132.94838	1.3
132.95840	21.6
133.02832	2.8
133.10138	27.5
135.04411	3.0
135.08043	1.0
135.11688	3.6
137.05977	3.1
137.09630	27.3
139.07518	1.7
141.05467	5.4
141.06993	1.8
143.08569	1.2
149.09633	2.8
150.96906	37.6
151.03917	64.1
151.11194	10.6
152.04230	1.3
152.05333	1.7
153.01918	1.9
153.05460	2.3
154.07799	1.1
155.07065	1.5
155.08542	1.2
155.10716	0.9
155.97426	16.1
161.09621	8.1
167.08534	1.0
167.10687	7.6
168.97913	1.2
169.04971	5.0
169.10143	1.8
173.98500	25.7
179.03381	9.7
179.10690	24.7
183.15669	0.9
197.00314	1.2
197.04469	29.7
197.08060	1.1
197.09737	2.4
197.11726	35.8
197.13190	1.9
198.18558	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	197.0446
Annotation	3,4-Methylenedioxymandelic acid
Peak:m/z	Relative Intensity
51.02379	0.9
53.03952	7.3
55.01874	11.1
55.05505	2.0
57.03436	1.0
57.07070	0.9
61.01167	1.1
63.89445	0.7
65.03941	5.9
67.01867	10.9
67.05508	32.7
69.03428	6.7
69.07062	1.6
70.11433	1.4
70.11838	2.2
70.95869	7.7
72.93787	4.5
73.01153	1.3
77.03926	2.5
79.05498	30.6
79.05965	1.5
81.03417	3.1
81.07055	3.0
83.01347	9.4
83.04982	2.4
84.05464	0.8
85.02903	3.2
85.06509	0.7
88.96921	0.9
90.05625	0.7
91.05529	1.0
93.03413	0.9
95.01334	6.9
95.04973	80.5
95.08598	1.2
97.02905	9.5
97.06500	4.2
101.78391	0.7
105.03399	8.0
105.04498	2.3
105.07030	1.2
107.04968	6.9
107.08614	1.4
109.02856	3.6
109.10182	1.1
111.04464	3.6
111.98482	6.3
112.03521	1.1
113.02366	1.7
113.04243	2.3
113.96421	1.3
114.94810	0.8
115.03841	0.7
117.23313	0.8
121.02847	1.5
123.00830	4.7
123.04435	53.3
125.02358	22.8
125.05986	2.8
129.99532	3.2
132.95840	13.5
133.02844	3.1
133.10114	1.6
135.04419	3.6
135.11670	1.2
139.03941	1.2
150.96896	17.9
151.03911	100.0
153.01807	2.1
153.05482	3.6
153.06589	0.7
155.97429	8.4
161.09561	0.8
169.04964	1.5
173.98494	11.8
179.03419	12.1
179.10698	1.4
197.04462	41.9
197.11629	1.9
197.13290	2.0
198.18530	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
53.03957	5.7
55.01875	9.8
55.05508	1.1
56.75141	0.5
57.03443	1.2
57.07084	0.5
58.99590	0.7
61.01154	2.6
62.10474	0.6
62.65358	0.5
62.99072	0.6
65.03950	6.2
65.06111	0.6
67.01870	8.8
67.05510	32.6
68.99801	0.6
69.03439	6.8
69.07072	1.6
69.81758	2.5
70.95872	9.2
71.01383	0.8
71.04990	0.7
72.93803	5.5
73.01148	4.6
77.03946	2.3
78.12449	0.5
78.96821	0.6
79.05499	31.4
80.94710	0.8
81.03429	2.8
81.07067	2.7
83.01349	9.7
83.04993	2.1
83.08605	0.7
85.02908	3.5
85.06544	0.6
86.40380	0.6
88.96912	2.3
89.04279	1.0
90.94830	1.3
91.02206	1.7
91.05475	1.5
92.98321	0.8
93.03419	0.9
93.07056	1.1
93.39329	0.5
95.01339	6.1
95.04978	76.7
95.08616	1.1
97.02905	8.3
97.06523	4.9
101.04270	0.8
105.03408	7.1
105.04527	2.0
105.07010	1.6
107.04967	7.7
107.08605	2.9
109.02896	2.9
109.06547	1.1
109.10175	0.8
111.04469	2.5
111.08114	0.6
111.98494	9.7
112.03413	0.7
113.02386	1.1
113.04234	1.6
113.05994	0.8
113.96429	1.2
115.03862	0.7
117.99123	0.7
118.06535	0.5
119.06808	0.6
119.08563	0.9
121.02871	0.6
122.93964	3.4
123.00815	5.4
123.04440	52.5
125.02368	20.7
125.06012	2.5
129.99542	4.6
132.21710	0.6
132.95856	14.7
133.02876	3.3
133.10124	1.8
135.04440	3.5
135.11719	2.2
137.06003	0.6
139.03957	0.8
141.01839	0.6
147.01036	0.6
150.03088	0.6
150.96906	23.5
151.03917	100.0
152.04190	0.7
153.01830	2.1
153.05507	4.1
154.07809	1.0
155.08601	0.8
155.97429	10.3
161.09599	0.9
168.97949	1.0
169.04982	1.3
169.10126	0.6
172.20882	0.5
173.98520	17.3
179.03413	11.4
179.10690	3.6
182.05817	0.6
182.10791	1.3
197.04480	41.1
197.11742	2.5
197.13322	3.1
198.18552	4.2
212.82193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.03948	6.1
55.01880	12.1
55.05506	1.5
55.93522	0.8
57.03445	1.3
57.07093	1.8
58.05075	0.7
58.99577	1.8
61.01146	2.1
65.03944	6.7
67.01872	13.9
67.05510	34.5
68.99779	0.9
69.03443	9.1
69.07075	2.3
70.89472	1.6
70.95512	1.1
70.95873	14.1
71.04978	1.3
72.93797	8.3
73.00775	1.3
73.01149	14.6
73.02940	1.1
75.00713	1.2
75.02716	0.9
77.03938	2.6
78.96783	1.3
79.05501	32.0
80.94715	3.6
81.03416	3.4
81.07050	4.2
83.01339	9.2
83.04998	4.2
85.01139	1.4
85.02899	4.2
85.06540	0.9
88.96905	2.6
89.04272	2.3
90.94850	1.9
91.02180	6.5
91.03861	0.9
91.05495	3.0
93.03407	1.4
93.07045	2.5
95.01331	6.3
95.04978	80.1
95.08585	1.1
96.69312	0.8
97.02902	11.7
97.06543	6.2
98.29915	0.7
99.04484	1.3
102.96760	0.8
104.98298	2.5
105.03403	6.7
105.04532	3.3
105.05242	0.8
105.07047	2.0
106.99886	2.4
107.04967	8.2
107.08598	4.3
109.02899	4.2
109.06550	1.9
109.10161	1.3
111.04447	2.6
111.98495	12.7
113.02393	1.6
113.04237	2.4
113.96401	2.3
115.03893	1.0
118.06563	1.4
119.06842	7.0
120.07640	4.3
121.02887	0.9
123.00810	5.5
123.04444	53.4
125.02365	47.2
125.06008	3.1
129.99519	6.1
132.95839	20.7
133.02869	2.6
133.10152	3.8
135.04440	3.6
135.11719	1.5
137.02365	0.8
137.05969	1.6
139.03949	1.5
141.05537	1.1
141.06984	1.0
150.03627	0.8
150.96907	34.2
151.03920	100.0
151.11185	0.9
152.04968	1.3
153.01917	1.8
153.05492	4.7
153.06871	1.4
155.08565	3.2
155.97427	15.9
161.09644	2.0
163.05911	0.8
164.06641	1.6
167.03433	0.9
167.08597	1.9
168.09390	1.5
169.05003	2.9
169.06363	0.8
169.10135	2.7
172.44957	0.8
173.98514	23.7
179.03416	13.8
179.10661	5.1
182.10953	1.8
197.00192	2.2
197.04507	51.8
197.09631	1.5
197.11687	2.5
197.13315	9.4
198.18561	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	197.0447
Annotation	3,4-Methylenedioxymandelic acid
Peak:m/z	Relative Intensity
51.02388	1.2
53.03951	8.2
55.01872	10.3
55.05493	0.8
57.03410	0.8
60.19132	0.8
65.03952	3.9
67.01866	11.5
67.05509	28.8
68.99791	0.8
69.03432	5.9
69.07049	0.9
70.95869	3.7
71.01361	0.9
71.09847	1.3
72.93805	2.1
77.03925	2.8
79.05498	31.3
81.03413	4.2
81.07046	2.6
83.01351	9.6
83.04984	2.4
85.02900	4.4
93.03410	1.5
93.07023	1.8
95.01324	7.5
95.04974	75.5
97.02900	8.7
97.06533	3.8
105.03407	7.2
105.04510	2.8
105.07022	1.0
107.04963	6.8
107.08617	4.6
109.02882	3.5
111.04449	2.5
111.98465	2.5
113.02345	1.4
119.06855	0.9
121.02846	1.1
121.06531	0.9
123.00795	5.2
123.04436	53.8
125.02361	24.7
125.05981	3.2
128.89000	0.8
129.99500	1.4
132.95833	5.2
133.02861	4.0
133.10114	3.2
135.04419	4.9
135.11699	2.8
139.03937	1.8
150.96895	6.5
151.03909	100.0
153.01843	2.1
153.05479	2.5
155.97459	4.2
161.02339	1.0
161.09596	1.9
169.04950	1.4
169.42101	0.7
173.98520	3.8
179.03401	11.5
179.10652	6.1
197.04471	46.1
197.11716	4.4
198.18484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.7
55.01872	11.4
55.05516	2.4
55.93528	0.9
57.03440	1.1
58.55743	0.6
62.99085	0.8
65.03945	5.4
66.18646	0.6
67.01868	9.5
67.05509	37.0
67.09778	0.7
68.99771	0.8
69.03437	7.0
69.07069	2.3
69.56481	4.4
70.44465	0.7
70.95499	1.1
70.95869	10.4
71.01336	0.6
71.04999	1.1
72.33334	0.5
72.93781	6.3
73.01149	1.4
77.03938	2.0
79.05498	29.0
81.03404	3.5
81.07065	4.5
83.01350	8.4
83.04994	3.4
83.08615	0.7
84.08169	0.6
85.02901	3.4
88.96911	1.9
90.94800	1.7
91.02151	0.7
91.05479	3.2
93.03411	1.9
93.07057	2.6
95.01342	6.4
95.04974	81.8
95.08626	1.7
96.97810	0.7
97.02899	9.3
97.06535	5.3
98.20750	1.1
99.04453	1.3
101.02357	1.0
105.03382	7.3
105.04524	2.5
105.07032	4.8
107.04967	8.9
107.08596	9.8
109.02887	3.6
109.06508	2.0
109.10152	1.5
111.00875	0.9
111.04452	3.1
111.98481	10.2
113.02386	1.3
113.06017	1.7
113.96409	1.7
119.06848	0.9
119.08591	1.7
121.02861	1.3
121.06509	0.7
123.00817	5.1
123.04436	54.2
123.08070	1.2
123.11733	0.9
125.02357	23.2
125.06010	4.1
126.38026	0.6
127.03913	1.7
129.99539	5.4
132.95847	18.2
133.02864	3.3
133.10146	8.9
135.04407	3.9
135.11719	6.6
137.05959	1.4
137.09624	1.7
139.03908	1.8
139.34346	0.6
141.01810	0.6
141.05435	0.8
148.62202	0.6
150.96901	31.7
151.03909	100.0
151.11165	1.9
152.04117	0.8
153.01822	2.1
153.05460	3.5
153.06866	0.7
154.07777	0.9
154.15848	0.8
155.08612	0.7
155.97420	13.2
161.02266	0.6
161.09676	3.8
167.08524	0.8
168.97984	1.0
169.04909	0.7
169.10208	0.8
173.98502	20.0
177.91475	0.6
179.03410	13.0
179.10680	13.1
182.10835	0.9
195.14496	0.6
197.00082	2.2
197.04466	43.4
197.09625	1.7
197.11713	8.3
197.13298	1.9
198.18512	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	197.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.00333	0.7
53.03958	6.4
55.01876	10.7
55.05515	2.3
55.93527	0.7
57.03443	1.1
57.07074	1.3
58.99589	2.6
61.01154	8.1
65.03941	5.9
67.01873	9.5
67.05508	33.2
69.03433	7.0
69.07074	3.6
69.63732	2.0
69.64142	2.5
70.95869	14.8
71.04995	0.9
72.51167	0.8
72.93797	8.1
73.01139	3.0
76.20521	0.7
77.03946	2.2
79.05499	32.4
81.03423	4.5
81.07067	5.5
83.01348	8.2
83.04993	2.2
83.08633	0.8
85.02911	4.3
85.53111	0.7
88.96917	1.7
90.94853	1.4
91.02224	1.0
91.05481	2.7
93.03431	1.7
93.07066	2.0
95.01336	6.9
95.04975	77.4
95.08620	2.9
97.02895	8.1
97.06538	5.8
98.22501	0.8
104.98305	4.1
105.03395	6.6
105.04522	2.0
105.07013	2.4
107.04955	8.4
107.08591	3.4
109.02874	1.7
109.06540	1.2
111.04456	2.7
111.08077	0.8
111.98479	13.1
112.03416	0.7
113.02390	1.0
113.04241	1.9
113.96410	1.7
114.94802	1.1
119.06837	0.9
119.08568	1.2
121.02869	2.0
123.00036	0.7
123.00787	4.1
123.04436	55.2
125.00900	3.0
125.02362	21.6
125.06002	3.5
129.99538	7.0
132.95845	20.9
133.02853	3.0
133.10162	4.4
135.04436	4.4
135.11690	2.3
137.09680	0.8
139.03856	1.0
141.05438	1.5
150.96901	35.6
151.03912	100.0
152.04213	0.8
153.01822	1.5
153.05460	2.6
155.08505	1.7
155.97435	14.4
161.02275	0.8
161.09644	1.2
161.13219	1.5
161.84177	0.9
164.06758	0.7
167.08641	1.0
169.04932	1.4
173.98503	26.5
178.47432	0.7
179.03410	11.8
179.10689	4.9
179.14403	0.9
182.10941	1.0
197.04469	42.8
197.09697	1.7
197.11714	4.2
197.13292	3.2
198.18544	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	197.0447
Annotation	3,4-Methylenedioxymandelic acid
Peak:m/z	Relative Intensity
51.02382	1.0
53.03947	6.2
55.01878	11.5
55.05514	2.6
57.03445	1.2
65.03950	7.7
66.04727	0.7
67.01871	14.2
67.05510	33.3
68.99817	1.3
69.03435	9.2
69.07063	2.4
69.66908	2.2
69.67321	1.4
70.06593	0.8
70.95869	9.3
71.01349	1.2
71.05022	0.9
72.93795	4.3
73.01156	1.2
73.02911	0.8
77.03931	2.2
79.05499	33.1
81.03424	3.9
81.07064	5.5
83.01344	9.1
83.04973	3.0
84.08171	0.9
85.02921	4.1
86.09730	0.6
88.96917	1.6
90.94823	1.3
91.05473	2.2
93.03407	1.2
93.07048	1.9
94.04182	0.8
95.01336	7.1
95.04977	80.4
95.08620	2.1
96.05333	0.7
96.83981	0.6
97.02900	11.3
97.06543	4.9
98.20828	1.1
100.98241	0.6
101.02337	0.9
105.03401	8.3
105.04522	2.8
105.07024	3.1
107.04961	9.1
107.08597	6.2
109.02876	4.0
109.06525	2.2
109.10152	1.0
109.98761	1.4
111.04446	4.0
111.98492	9.0
113.02383	1.2
113.96400	1.3
114.94762	0.8
119.08591	0.7
120.22702	0.7
121.02877	2.1
123.00825	6.2
123.04438	59.0
123.08073	1.2
123.11731	1.0
125.02361	43.9
125.06013	3.2
129.99522	4.5
132.95844	15.0
133.02853	3.5
133.10144	6.2
135.04410	3.8
135.11713	3.0
137.02354	0.9
137.05991	1.7
137.09633	1.1
139.03935	2.4
140.04721	4.8
150.96906	22.9
151.03914	100.0
152.04381	0.9
153.01831	2.4
153.05499	3.7
155.07062	3.8
155.97452	10.5
161.09659	2.2
167.07047	1.5
169.04973	2.8
169.10242	1.0
173.98505	16.0
179.03423	11.5
179.10701	5.7
196.20584	1.0
197.04471	44.1
197.11732	5.4
197.13290	1.1
198.18523	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	197.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
53.03948	6.6
55.01874	9.5
55.05511	2.0
57.03431	1.0
57.07075	0.9
65.03950	6.2
66.04718	0.7
67.01867	14.1
67.05507	33.5
68.99787	0.9
69.03433	9.3
69.07071	1.6
69.24863	4.2
69.25285	3.0
70.95507	1.2
70.95869	12.7
71.04993	0.8
72.93794	7.6
73.01134	1.2
77.03934	3.0
79.05495	35.7
81.03419	3.8
81.07047	5.9
83.01341	10.4
83.04995	3.4
84.08126	0.9
85.02922	4.2
88.96900	2.3
90.94813	1.2
91.05482	1.5
93.07034	2.0
95.01327	7.0
95.04972	77.1
95.08602	1.6
97.02905	10.7
97.06519	4.8
98.21529	1.6
99.04456	1.3
101.02376	2.4
105.03400	5.8
105.04519	2.4
105.07022	2.3
107.04943	7.3
107.08614	4.5
107.89333	0.7
109.02891	4.6
109.06516	2.7
109.10159	1.1
111.04435	2.9
111.98485	13.2
113.02363	1.0
113.96416	1.5
114.94792	1.2
119.08498	0.6
121.02881	2.2
122.03704	0.9
123.00796	6.1
123.04430	57.0
125.02358	42.6
125.06001	4.0
125.50343	0.9
127.03905	1.0
129.99529	4.5
131.97485	0.8
132.95837	21.7
133.02859	3.0
133.10114	4.0
135.04427	4.9
135.11714	2.0
137.05971	1.4
137.09622	0.9
139.03896	1.3
140.04652	3.2
150.03168	0.8
150.96898	31.7
151.03906	100.0
151.11130	1.4
153.01868	1.6
153.05426	3.4
155.07047	2.5
155.97437	18.5
161.09563	1.4
167.07056	1.0
168.97998	1.3
169.04959	2.4
173.98492	25.3
179.03391	11.2
179.10738	3.9
197.04462	43.4
197.11713	4.4
197.13264	1.6
198.18588	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	196.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.0
58.06608	1.2
58.67506	0.7
58.99588	4.4
61.01175	1.2
65.03934	2.7
67.05498	1.7
69.07052	0.8
69.87921	3.3
70.95858	1.0
72.93790	0.7
73.01132	1.9
79.05486	2.4
80.05000	1.7
82.06575	1.8
83.43282	0.7
84.00369	0.8
85.00645	0.9
85.01137	13.9
90.04194	0.8
91.05470	2.7
92.05007	1.0
94.06568	1.8
95.04952	1.2
95.08627	1.0
96.08138	0.8
97.01127	0.9
99.02686	4.1
104.04993	6.5
104.98325	0.8
106.06560	4.4
106.97907	0.7
107.07334	2.1
108.08112	2.1
109.01099	1.6
109.12244	0.6
110.06030	2.5
114.04578	1.5
116.05039	0.7
117.05775	6.2
118.06551	74.1
119.07336	32.2
123.02640	2.4
124.03962	0.9
124.07600	1.0
125.04238	0.7
126.03744	1.7
127.02135	3.2
128.02924	3.0
131.96091	0.8
132.95845	2.0
134.06020	2.4
135.06804	2.1
136.02202	0.9
137.02939	3.2
138.09169	1.1
139.09871	0.7
140.05296	4.0
144.04427	0.9
145.05243	2.4
145.43526	0.7
146.03194	2.5
149.02943	1.4
149.97218	1.7
150.03735	47.8
150.96919	3.7
151.04559	14.0
152.05281	4.6
154.09424	1.6
155.97424	1.8
162.05507	6.6
163.06302	22.5
168.04825	3.6
168.10274	0.8
173.98483	2.7
178.03241	6.3
178.05814	3.7
180.03011	0.7
196.04294	100.0
196.13356	2.8
196.16977	1.5
197.04564	1.5
207.38388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
53.75764	0.5
55.01876	12.6
55.63255	0.4
58.06602	0.5
58.99594	3.8
64.47115	0.5
65.03941	3.0
67.05507	1.3
68.98026	0.5
69.07079	0.5
70.06572	0.5
70.95868	1.6
70.99580	0.8
71.01363	0.8
72.93791	0.9
73.01155	0.8
79.05495	3.4
80.05017	2.0
80.05819	0.6
81.03419	0.7
81.05792	0.5
81.07067	1.6
82.06564	0.8
82.07389	0.9
85.00639	1.0
85.01132	15.7
89.03959	0.6
90.04241	0.8
91.05489	4.2
92.05006	0.6
92.05853	0.6
93.05803	1.0
93.07052	1.5
94.02925	0.6
94.06567	1.9
94.07380	1.0
95.05003	1.0
95.08633	0.8
97.01105	1.4
99.02689	4.2
100.03433	0.5
104.05000	7.2
106.06572	5.1
106.97853	0.6
107.07346	2.7
108.08121	1.0
108.08900	1.0
109.01093	1.0
109.06511	0.6
110.06055	2.5
111.98486	1.9
112.02219	1.0
113.96362	0.5
116.04937	0.6
117.05778	6.7
118.03742	1.2
118.06548	81.2
119.07332	35.8
122.06030	0.7
123.01397	0.6
123.02669	2.6
124.03969	1.1
125.02330	0.6
126.03757	2.3
127.02139	3.2
128.02936	3.1
129.99529	0.6
131.96172	1.0
132.95857	2.8
134.00620	0.6
134.05995	2.8
135.02637	1.1
135.06821	2.3
135.11746	0.6
136.02156	2.1
136.11998	1.0
137.02931	2.0
140.05292	3.9
141.03653	0.8
142.83911	0.5
144.04448	1.3
145.05180	2.8
146.03227	2.3
148.03940	0.7
149.02881	0.8
149.97198	1.2
150.03732	26.4
150.96916	4.0
151.04568	4.8
152.05269	1.6
155.10704	0.7
155.97464	1.1
160.12086	0.6
162.05525	7.5
163.06297	23.9
168.04829	2.8
170.27701	0.5
172.98868	0.6
173.98445	2.9
178.03464	2.4
178.05942	4.0
178.12962	0.7
181.10109	0.6
196.04291	100.0
196.16988	2.1
197.04581	1.1
197.11609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01875	14.7
55.02148	0.8
58.99593	3.9
61.01155	0.4
61.85748	0.4
65.03944	2.6
66.04704	0.6
67.05518	0.8
68.05032	0.4
70.06591	0.5
70.08128	1.9
70.95867	0.9
72.93797	0.8
73.58894	0.4
79.05500	2.8
80.05015	2.3
81.05787	0.5
82.06583	1.0
82.99574	0.5
84.08154	0.7
85.01131	17.1
89.03933	0.6
90.04259	0.8
91.05476	3.0
92.05020	0.5
94.02934	0.9
94.06578	2.0
95.04979	0.6
96.04533	0.6
97.01128	0.7
99.02681	4.3
103.02184	0.6
104.04993	7.6
106.06558	4.7
107.07350	1.7
107.08551	0.6
108.08143	1.2
109.01112	1.4
110.01862	0.5
110.06051	1.3
111.98493	0.8
112.02196	0.9
112.19530	0.4
116.04977	0.8
117.05767	7.0
118.03729	1.6
118.06548	84.3
119.07333	38.1
122.06813	0.5
123.02650	2.8
124.02162	1.0
124.03948	1.4
124.07597	0.8
125.04239	0.9
126.03763	2.2
127.02144	3.3
128.02914	2.4
132.95863	1.6
134.06041	3.1
135.02626	0.6
135.06769	2.6
136.02156	2.6
136.07475	0.4
137.02956	1.8
138.03693	0.7
138.05516	0.4
140.05299	4.7
141.03737	0.6
144.04483	1.2
145.05234	3.3
146.03163	2.0
149.02959	0.8
149.97208	0.7
150.03732	28.6
150.09140	0.5
150.96852	2.4
151.04547	5.2
152.01703	1.0
152.05322	1.7
155.97433	1.2
162.05527	6.8
163.06293	25.5
168.04826	4.1
173.98436	2.0
178.03232	1.9
178.05920	2.7
196.04289	100.0
196.16881	0.7
197.04681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.34875	0.5
51.74323	0.4
52.80411	0.5
53.38489	0.6
55.01877	0.7
55.05503	0.7
59.05008	0.6
63.02394	1.5
65.03938	2.0
67.05512	0.9
68.96355	0.7
69.07068	1.1
69.84137	2.6
70.06596	0.6
70.94244	0.8
73.01157	0.8
79.05509	3.0
81.03397	0.5
81.07071	1.3
83.04961	0.8
84.08148	0.7
85.01129	1.1
85.02908	0.6
89.03922	24.7
91.05482	4.8
93.03387	1.2
93.07046	2.3
93.93110	0.5
95.04984	1.9
95.08601	1.4
97.06530	0.8
103.05484	1.3
104.98360	0.6
105.07039	0.8
106.04189	2.6
107.04963	4.1
107.08583	2.7
109.06528	0.9
111.04420	4.0
117.03386	49.0
117.07029	0.7
118.06537	3.9
119.04961	0.9
119.07315	1.2
119.08599	0.7
121.06530	1.8
121.10141	2.1
125.05998	3.2
126.08678	0.4
127.99984	0.7
129.51677	0.6
130.96317	1.4
131.08636	0.7
133.10136	0.7
134.03632	7.7
135.04434	9.9
135.08003	1.1
135.11714	1.5
137.09605	1.8
138.06602	1.0
139.07579	0.6
145.02853	88.7
148.97353	1.8
149.05994	19.4
149.09618	1.3
150.03719	1.2
153.05458	5.4
153.97844	0.6
159.11717	1.8
162.03163	2.5
162.05452	0.6
163.03925	11.7
163.06308	1.2
163.07600	0.6
171.98958	1.3
177.05479	100.0
177.12758	1.6
186.05547	1.5
195.02890	1.2
195.06529	4.4
195.08337	1.1
195.10196	0.8
195.13817	1.2
195.15620	0.7
196.04312	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	195.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20741	0.3
53.03946	1.1
55.01873	1.0
55.05509	0.5
57.03448	0.4
58.99591	1.2
63.02377	1.0
65.03948	1.6
67.05502	2.0
68.10978	0.4
68.96327	0.7
68.99796	1.6
69.03432	0.8
69.07069	0.9
69.46433	2.4
70.06619	0.6
71.01360	0.6
71.04993	0.4
73.01145	1.0
76.87176	0.3
77.03942	0.4
78.04720	1.3
79.05499	3.4
81.03414	0.9
81.07070	0.7
83.04979	0.5
84.04531	0.5
84.08163	1.0
85.02892	0.8
86.09715	0.7
89.03924	23.8
91.05482	4.9
93.03413	1.7
93.07034	1.8
95.04984	2.6
95.08607	0.5
97.01117	3.8
97.02909	0.7
97.06551	0.8
98.21529	0.6
103.05486	1.1
105.03394	0.7
105.04521	0.5
105.07056	0.7
106.04188	1.6
106.06535	0.3
107.01367	0.5
107.04967	2.8
107.08598	1.3
109.02864	0.9
109.06513	1.0
109.10186	0.4
109.98973	0.6
110.03644	0.4
111.02686	1.5
111.04443	3.9
111.08064	0.8
114.50674	0.4
117.03387	49.7
119.04942	0.9
119.08549	0.4
121.01129	0.4
121.06504	2.2
121.10129	1.0
123.04456	1.7
124.05202	0.7
125.02357	0.8
125.06000	3.2
126.98522	1.1
127.99928	0.4
130.96307	1.0
131.04941	0.4
131.08566	0.8
134.03641	10.9
135.04439	8.3
135.08022	1.0
135.11708	1.2
137.05986	1.2
137.09602	0.5
138.06602	0.5
139.02162	0.7
139.07547	0.6
145.02856	84.5
146.03168	0.5
147.04477	0.4
148.97365	1.6
149.05994	23.2
149.09676	1.1
149.13269	0.5
151.03900	1.5
153.05479	6.6
153.06598	0.7
153.97957	0.7
159.11783	0.6
162.03146	1.9
163.02557	0.7
163.03911	9.7
163.05235	0.7
163.07434	0.4
167.01659	2.7
167.07011	0.4
171.98985	0.9
177.05481	100.0
178.05916	0.5
186.05550	1.3
195.01143	1.7
195.02919	1.0
195.06555	1.8
195.08517	0.6
195.10242	1.0
195.13834	1.0
195.15620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.69086	0.4
53.00307	0.5
53.03957	1.5
55.01879	1.6
55.05510	0.5
58.99601	2.1
63.02377	0.7
65.03951	1.5
67.05512	2.1
68.96346	0.6
68.99800	4.0
69.03438	0.5
69.07070	1.0
69.82304	2.4
71.01357	1.4
73.01143	2.1
78.04732	1.2
79.05494	3.1
81.03432	0.8
81.07063	0.9
84.08121	0.6
84.97460	0.5
85.02908	0.5
89.03922	25.9
91.05482	3.5
93.03407	1.2
93.07043	1.4
95.04990	3.3
95.08597	0.5
97.01126	8.2
97.02898	0.4
98.20808	0.6
99.02692	1.1
103.05470	1.4
105.03424	1.1
106.04183	1.9
107.01308	1.0
107.04970	2.1
107.08596	1.5
109.02924	0.5
109.06485	0.6
109.61714	0.4
110.03680	0.6
111.02677	4.4
111.04443	1.5
115.02195	1.0
117.03385	48.6
119.04922	1.2
121.01100	0.9
121.06494	1.7
121.10163	1.0
123.04456	2.4
124.05179	0.6
125.00592	0.8
125.02363	0.8
125.06047	2.4
125.06898	0.5
126.98539	1.9
127.45103	0.4
130.96240	0.6
133.02824	0.5
134.03642	16.0
135.04433	7.9
135.08046	0.9
137.06010	1.0
137.09601	0.8
138.06587	0.4
139.02129	2.5
145.02855	92.7
146.03223	0.5
148.97339	1.3
149.05995	24.5
149.09607	2.6
149.13084	0.4
151.03911	1.7
153.00087	0.8
153.05457	2.8
153.97916	0.6
162.03160	2.9
163.03922	10.6
166.00800	0.6
167.01636	7.5
171.98874	0.5
177.05481	100.0
186.05495	1.4
195.01164	4.0
195.02893	0.6
195.06532	1.8
195.08127	0.6
195.10214	0.9
195.13860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01868	1.0
56.12939	0.4
58.06599	1.3
58.99594	0.8
61.01155	0.6
63.02373	1.1
65.03952	3.6
67.05502	1.3
68.99799	1.2
69.07063	0.6
69.95710	0.5
71.50217	0.8
73.01141	1.2
73.02925	1.0
78.04721	1.6
79.05491	2.1
84.08176	0.8
89.03926	26.4
91.05497	4.2
93.03404	7.2
93.07047	0.8
95.04980	1.9
97.01131	2.6
103.05475	1.4
104.98310	0.7
106.04176	2.0
107.01343	1.0
107.04957	1.0
110.03678	0.6
111.02708	1.1
111.04452	6.9
117.03391	52.7
119.04929	1.6
120.01137	0.6
121.06538	1.3
123.04427	0.7
124.05270	0.5
125.06007	9.8
126.98531	0.6
134.03651	10.9
135.04439	6.1
144.87665	0.5
145.02856	86.0
147.04515	0.5
149.06000	20.8
149.09570	0.6
153.05475	19.3
162.03123	1.8
163.03929	9.4
167.01636	1.7
177.05484	100.0
178.05772	0.8
186.05368	1.0
195.01091	0.7
195.06409	2.2
195.08560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02404	0.4
53.03945	0.3
55.01897	0.3
58.04224	0.4
61.00468	0.3
63.02383	0.8
67.03478	0.3
67.05502	0.5
69.03448	0.6
70.99529	0.7
73.01147	0.9
78.04726	0.7
79.05495	1.3
85.02905	0.4
89.03925	27.8
91.05479	1.9
93.03407	0.9
93.07059	0.8
95.04995	0.9
97.01123	1.1
97.06539	0.3
103.05506	1.2
105.07046	0.4
106.04193	2.1
107.04976	1.1
107.08618	0.5
109.06535	0.4
111.02674	0.7
111.04452	0.8
117.03391	51.0
119.04932	0.4
121.06522	1.5
124.05244	0.6
125.05997	0.6
126.98561	0.3
134.03648	8.9
135.04437	6.4
135.08112	0.4
137.05966	2.1
145.02858	90.3
146.03221	0.6
147.04485	0.4
149.05995	23.0
149.09624	1.6
153.01654	0.3
153.05515	0.8
162.03159	2.4
163.02545	0.5
163.03917	9.9
167.01646	0.5
171.98958	0.4
177.05482	100.0
178.05785	0.8
184.67397	0.3
186.05513	1.4
195.01144	0.5
195.06516	1.2
195.10147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02377	0.6
53.03954	1.6
55.01880	1.9
55.05522	1.2
58.99596	2.0
61.01172	0.5
63.02396	0.9
65.03945	4.3
67.05502	3.1
68.99802	4.9
69.03448	0.7
69.07075	0.7
70.00908	2.5
71.01359	1.6
71.04983	0.7
73.01147	2.7
73.99124	0.5
78.04733	1.6
79.05490	4.6
81.03410	1.1
81.07068	2.6
84.08153	0.9
89.00616	0.9
89.03923	24.8
91.05495	6.6
93.03407	7.7
93.07024	2.8
95.04978	3.2
97.01125	8.8
97.06554	1.5
99.02676	1.2
101.04193	0.5
103.05493	1.0
105.03399	1.2
105.06994	1.3
106.04198	2.0
107.01295	1.3
107.05006	3.0
107.08617	1.9
109.06508	0.8
110.03615	0.9
111.02686	5.4
111.04443	9.1
113.91063	0.5
115.02161	0.7
117.03391	46.6
119.04958	1.8
121.01103	1.3
121.06501	2.2
121.10165	1.4
123.04434	3.2
125.00574	1.0
125.05994	12.7
126.98518	2.4
130.96323	0.9
131.05244	0.7
131.08624	1.5
133.02861	0.9
134.03653	16.1
135.04440	7.3
135.08064	1.6
135.11679	0.6
137.06009	0.7
138.06612	0.9
139.02138	1.8
145.02858	87.7
146.03250	0.7
148.97412	1.3
149.00618	0.6
149.06004	20.1
149.09612	1.6
151.03966	2.7
153.05478	25.6
153.06752	1.3
153.97894	1.0
162.03148	2.4
163.03946	10.6
166.00864	0.6
167.01631	8.3
171.98949	1.0
177.05486	100.0
178.05856	1.4
180.03717	0.7
186.05487	1.3
195.01151	3.3
195.02946	1.5
195.06479	4.4
195.08319	0.9
195.10248	2.0
195.13814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03949	0.7
53.09704	0.6
69.30737	0.8
70.88811	0.7
70.89137	1.3
78.04724	0.9
79.05489	1.9
84.12585	0.6
89.03920	23.4
91.05462	2.1
95.04926	0.9
95.78681	0.6
97.15994	0.7
103.05463	1.6
106.04185	2.3
107.04969	9.2
113.04191	0.7
117.03389	46.4
121.06463	1.1
123.04345	0.8
134.03618	5.8
135.04437	7.9
145.02853	79.0
149.04799	1.2
149.05984	19.9
162.03168	2.1
163.03920	12.0
177.05479	100.0
186.05463	1.7
195.06558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46604	0.7
55.01875	6.7
56.05033	2.1
58.06603	64.2
58.99601	4.1
61.01154	28.2
67.05499	1.8
68.05034	1.4
69.51492	4.1
70.06590	2.5
70.99583	2.5
72.00347	1.0
73.01141	0.9
73.02918	55.8
74.00668	26.0
74.02437	1.4
77.08620	0.7
82.06599	4.0
84.08145	19.1
90.03776	7.8
90.96771	1.3
92.01683	1.8
99.06712	0.7
104.98318	100.0
107.99401	5.8
110.05992	1.1
117.99599	2.3
120.01170	28.0
128.07108	3.3
129.07874	1.3
130.99857	1.8
134.36076	0.7
136.07553	0.8
136.97270	8.0
148.02495	3.9
148.11226	1.4
149.11940	0.7
151.98308	0.7
160.04298	2.6
177.00427	1.0
194.03023	6.9
194.11719	7.4
194.15442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66759	0.6
52.69036	0.6
55.01666	0.7
55.01880	8.5
56.05035	2.0
58.06606	77.0
58.99582	4.6
61.01157	27.9
65.63284	0.6
66.80013	0.6
67.05502	3.3
68.05030	1.6
70.06593	2.2
70.79742	1.4
70.99577	2.4
71.99097	0.7
72.00370	0.6
73.01139	1.4
73.02924	62.1
74.00673	30.1
74.02461	1.4
75.90132	0.5
79.05491	0.9
82.06587	6.3
83.07362	1.0
84.08149	21.5
88.02222	0.9
89.03934	0.6
90.03796	7.5
90.96783	1.4
92.01717	1.3
95.04999	0.6
104.98326	100.0
107.99413	7.7
114.03735	0.8
117.03461	0.9
117.99655	1.7
120.01177	29.1
120.08118	0.8
128.07077	3.2
128.45558	0.6
129.07872	1.0
130.99858	2.1
132.41434	0.6
133.02869	0.7
136.97278	8.1
145.02893	1.9
148.02509	5.2
148.07611	2.1
149.05978	0.8
160.04317	3.6
166.08626	0.8
177.00417	1.8
177.05511	2.5
179.03336	1.3
194.03055	12.6
194.05699	1.8
194.08220	1.3
194.11823	1.0
194.15453	1.6
196.78952	0.5
202.32912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05518	0.6
56.70964	0.5
58.99588	0.6
61.01145	2.0
63.94450	1.0
65.03947	0.6
67.05503	1.9
68.99793	0.9
69.03433	0.9
69.07070	1.9
70.80606	1.5
71.04993	1.1
71.06129	6.5
71.95853	0.6
72.04513	2.2
73.01167	0.8
76.02213	0.6
77.00639	5.9
78.96785	36.3
79.05499	1.3
81.07055	2.3
83.04996	0.6
86.06078	1.1
89.03927	6.1
91.05520	1.3
93.07058	2.5
95.08603	1.5
97.01123	0.9
97.06525	0.8
98.20821	0.6
100.07607	3.2
101.04254	0.6
106.99887	100.0
107.04972	1.1
107.08619	1.4
109.10165	3.2
113.04225	0.9
116.09479	0.8
117.03390	13.2
118.03249	33.7
121.06498	1.6
121.10155	2.1
123.09894	0.5
124.02525	13.6
124.03385	1.0
124.42378	0.5
125.06009	0.8
130.03253	2.3
130.96310	0.6
133.02867	0.8
134.03668	2.7
135.04439	2.2
135.08031	0.8
135.11722	0.8
145.02855	22.1
147.05881	34.4
148.97311	0.5
149.05989	4.8
149.09688	0.6
153.05464	1.0
163.03940	2.8
165.05507	1.0
165.06833	0.6
166.03622	1.2
167.01596	0.7
177.05489	25.6
177.12746	0.9
177.16347	0.8
178.03564	6.2
180.07813	1.5
181.68021	0.6
182.27985	0.6
185.38568	0.5
195.01250	0.9
195.03000	1.1
195.06265	15.1
195.08008	1.1
195.10172	3.1
195.11768	0.8
195.15778	0.7
195.17480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.4
55.05516	1.4
56.05022	3.0
56.96571	11.8
57.05805	0.7
57.07081	1.0
58.06605	79.7
58.99599	4.7
61.01157	28.3
62.69343	0.7
67.05504	3.7
68.05028	2.4
69.03423	1.1
69.53443	2.4
69.53851	2.7
70.06603	4.6
70.99574	2.8
71.95284	0.8
72.08158	2.7
73.01144	1.4
73.02924	64.2
74.00672	28.7
74.01097	1.4
74.02444	1.4
76.77412	0.7
81.03442	0.8
81.21815	0.7
82.06586	6.2
83.07361	1.6
84.04517	1.1
84.08151	30.2
85.02921	0.7
86.00664	0.7
86.09701	2.6
87.04469	0.9
88.02187	1.0
88.03967	0.9
90.03786	8.4
90.96738	0.9
91.05489	0.9
92.01722	1.6
93.07051	1.2
94.06586	0.9
97.02887	1.2
98.21534	1.2
98.97590	2.6
102.02401	0.7
102.09169	3.2
104.98324	100.0
107.04926	0.8
107.99418	6.8
110.06036	1.2
112.07623	1.0
114.03791	0.9
116.07101	0.9
116.98637	1.4
117.03407	1.3
117.99644	1.9
119.01907	1.5
120.01176	29.6
121.06522	4.1
124.07702	0.7
124.95430	0.7
127.00702	0.8
128.07095	4.0
128.98616	0.8
129.07817	1.1
129.10251	3.1
130.06529	1.0
130.08685	1.3
130.99872	2.4
133.05191	0.9
134.06067	1.5
134.99759	0.7
136.06178	1.0
136.07556	1.4
136.97260	7.2
137.06050	1.0
137.08299	1.2
138.05496	0.7
143.00186	2.2
145.01776	1.2
145.02869	2.9
148.02512	5.9
148.04080	2.4
148.07578	6.6
149.01256	0.9
149.05969	0.8
150.05533	4.0
151.01717	1.5
152.98657	0.8
158.06070	0.9
160.04318	2.1
161.01280	1.7
166.08650	5.9
168.35548	0.6
169.43324	0.7
170.99654	2.4
175.11954	0.8
176.07097	9.6
177.00481	2.3
177.05525	2.9
177.61345	0.8
179.01157	2.1
188.92476	2.2
189.00778	4.8
189.02283	1.0
189.04338	0.7
193.92970	1.0
194.03140	13.1
194.08162	18.2
194.11880	2.1
194.15410	3.2
211.94073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63313	0.7
53.00319	0.7
54.85947	0.6
55.01623	0.7
55.01884	8.8
56.05032	2.1
56.16737	0.6
57.05784	0.7
58.06607	74.5
58.99592	5.0
61.01158	26.6
67.05507	3.3
68.05035	2.1
69.07064	0.8
70.06586	1.8
70.99581	2.4
71.07526	1.0
71.07854	0.8
71.99125	0.7
73.01152	1.4
73.02925	61.5
74.00674	28.4
74.01099	1.4
74.02446	1.3
79.05516	1.5
82.06580	5.1
83.07350	1.0
84.08151	24.6
86.09711	0.6
88.02229	0.7
89.03920	1.3
90.03787	9.6
90.96763	1.1
91.05466	0.8
92.01699	1.6
93.07041	1.0
95.04972	1.3
103.05400	0.7
104.98327	100.0
105.03423	0.7
106.06642	0.7
106.07388	1.1
107.04979	1.2
107.99412	8.3
110.06034	0.9
111.04462	1.4
114.03799	0.8
117.03410	2.3
117.99628	1.9
120.01175	32.6
120.08120	5.0
126.06817	3.0
128.07063	3.7
129.07903	1.7
130.04060	1.1
130.99869	1.9
133.02887	3.0
134.05969	0.9
134.06879	0.8
136.97281	8.2
138.09155	1.4
145.02893	4.4
148.02513	6.0
148.07567	1.4
149.05995	1.8
151.03960	1.6
160.04306	2.7
162.06339	0.7
163.03928	0.7
166.08659	3.9
177.00450	1.9
177.04118	0.7
177.05444	4.3
179.03389	3.6
193.05086	1.0
194.03087	14.1
194.05721	7.7
194.08061	3.9
194.11719	1.0
194.15433	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.42365	1.0
53.03922	1.5
55.01871	1.5
55.05311	0.9
55.05516	10.6
57.03428	0.9
57.07067	3.0
58.80842	1.0
59.04992	1.7
62.81039	1.0
63.20784	0.9
65.03915	1.1
67.05505	9.2
68.19756	0.9
69.06726	1.5
69.07073	24.8
69.33167	7.3
69.33571	1.3
71.04998	18.6
75.99483	0.9
79.05502	7.1
80.35734	1.1
81.07063	20.1
83.04977	1.1
83.08606	2.8
85.06075	1.1
85.06551	13.9
91.05502	7.5
93.07050	24.8
95.04976	35.1
95.08612	19.7
97.06522	3.6
97.10164	8.8
99.08087	3.2
103.38889	1.0
105.07043	10.5
107.07877	1.4
107.08605	29.3
109.06527	100.0
109.10160	14.9
111.08085	6.6
111.11731	2.2
117.06994	1.6
119.08595	23.6
120.08096	0.9
121.10157	11.3
121.86391	0.9
123.04430	1.4
123.08053	6.5
123.11707	18.2
129.16559	1.0
133.02829	1.8
133.06465	1.1
133.10149	22.4
135.11708	29.9
137.09625	13.1
146.97493	2.2
147.11703	4.8
149.02359	4.2
149.13234	8.1
150.10516	1.0
151.11206	4.7
165.05542	1.0
175.07692	1.1
175.14838	41.3
193.04999	8.9
193.06583	1.7
193.08577	1.1
193.10188	4.3
193.12190	1.8
193.15900	58.7
194.15428	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.20416	1.6
53.03942	2.2
53.06046	1.3
54.50003	1.4
55.05261	1.8
55.05513	21.1
57.07067	6.5
59.04996	3.3
61.21748	1.7
65.03929	1.6
67.05505	25.1
68.89494	1.4
69.03423	12.2
69.07067	22.2
70.66928	2.7
71.04986	3.5
74.53312	1.3
79.05514	8.3
81.07061	32.3
83.04982	21.5
83.08613	13.4
85.06526	3.3
91.05476	14.4
93.07050	24.8
95.04942	3.9
95.08609	64.5
97.06513	4.7
99.08092	2.2
105.06380	2.0
105.07041	23.4
107.08600	50.2
109.06528	16.7
109.10159	77.6
111.08085	9.6
117.06979	3.1
119.08586	72.6
120.37365	1.5
121.10148	37.9
123.08088	37.4
123.11700	10.2
129.03719	1.6
131.08607	1.8
133.06540	1.6
133.10139	55.9
135.11696	100.0
137.09619	30.1
138.10287	3.3
145.10126	1.8
147.11655	7.0
149.13283	21.3
151.11176	11.0
151.14893	8.9
165.16379	3.6
175.14832	65.6
180.58864	1.6
193.04944	1.8
193.15895	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.02382	1.3
53.03942	3.5
53.67211	1.4
55.05509	24.4
55.13835	1.4
57.03431	1.5
57.05625	1.3
57.07080	7.3
58.99581	2.1
59.04985	2.9
61.54420	1.5
63.40126	1.4
65.03943	3.2
67.05169	2.2
67.05508	31.4
67.54313	1.3
69.03432	13.3
69.06724	1.6
69.07069	20.1
69.36545	11.3
69.36949	3.2
71.04981	3.4
79.05504	11.0
81.03423	2.9
81.06586	1.7
81.07063	32.9
83.04985	28.0
83.08624	15.1
85.06531	5.6
91.05472	14.8
92.18842	1.5
93.07050	20.1
95.04978	5.0
95.08611	56.9
95.98693	1.5
97.06522	6.1
97.10177	3.8
98.01898	1.8
98.21458	2.8
99.02681	1.4
99.08082	2.9
101.04244	3.2
103.05452	2.5
105.07044	27.3
106.63438	1.5
107.08596	45.7
109.06521	18.6
109.10160	70.6
111.08081	11.0
116.46027	1.4
117.07015	3.4
119.08587	61.4
121.10148	32.8
121.25849	1.4
123.08073	40.9
123.11703	11.9
125.09630	4.0
128.02934	4.5
129.03735	7.4
131.08540	3.5
133.02885	2.0
133.06483	6.2
133.10139	48.5
135.08076	3.6
135.11700	84.9
137.09622	30.4
138.10396	4.6
142.99812	2.1
147.11711	9.7
149.13272	15.3
151.11183	15.4
151.14848	8.4
161.05991	6.3
161.65257	1.5
165.12790	2.4
165.16422	3.1
175.11325	1.5
175.14839	51.6
193.03423	1.4
193.04930	7.3
193.08578	4.2
193.15901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02349	1.2
53.03931	3.1
54.42393	1.0
54.48785	1.1
55.01876	5.7
55.05515	31.8
56.05016	1.2
57.03423	3.4
57.07064	4.0
58.99570	1.8
59.04996	2.9
65.03949	3.0
67.05508	58.1
67.05875	2.8
69.03425	6.0
69.07069	13.1
70.06571	2.0
71.04980	4.1
71.17995	2.3
77.03904	1.8
79.05492	17.2
81.03421	5.3
81.07064	29.2
83.04986	9.1
83.08611	3.1
84.08141	1.8
85.02904	1.2
85.06073	1.8
85.06548	29.6
90.04681	1.2
91.05480	27.3
93.07053	22.6
94.04177	1.1
95.04965	9.5
95.08612	48.6
96.05761	1.0
97.06520	3.2
99.08095	60.6
101.04215	1.4
103.05473	13.4
105.03373	1.6
105.07034	89.0
106.07366	1.1
107.04950	3.1
107.08599	24.0
109.06529	12.2
109.10162	100.0
110.10529	1.0
111.08097	6.4
113.04184	1.0
115.05455	22.6
117.07013	4.0
118.04169	7.3
119.04981	5.5
119.08588	32.7
121.06504	3.3
121.10170	10.7
123.04447	2.7
123.08106	7.3
123.11703	5.5
125.09630	1.4
129.03716	2.6
129.06999	2.2
131.04897	5.3
131.08586	2.7
132.05701	2.7
133.02853	5.3
133.06499	75.8
133.10132	40.7
134.06837	1.1
135.08034	2.9
135.11694	27.1
136.07584	23.3
137.05989	3.7
137.09621	90.0
139.11232	1.9
143.04991	2.0
143.05986	5.7
145.06560	1.2
146.97447	3.0
147.04388	3.1
147.08051	4.7
147.11700	11.5
149.05957	3.2
149.13287	3.9
150.03035	1.7
151.07507	2.1
151.11192	10.5
151.14822	3.7
152.07135	3.2
160.05164	2.9
160.08864	2.9
161.02405	2.1
161.05992	76.1
162.06349	1.2
165.05534	1.6
165.09131	2.7
175.03821	1.2
175.07552	13.6
175.11162	10.5
175.14838	18.1
178.02655	3.5
193.03322	1.9
193.04959	16.7
193.08621	18.7
193.10463	2.4
193.12221	15.2
193.15891	86.8
194.15321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03944	4.0
55.05514	23.9
57.03423	1.8
57.07059	6.0
58.99587	2.2
67.05184	2.1
67.05511	29.3
69.03430	13.6
69.06731	2.1
69.07072	31.3
69.26740	16.2
71.04995	3.2
71.54115	2.1
79.05492	14.5
81.03406	3.9
81.07057	37.6
83.04982	28.3
83.08604	10.4
85.06532	7.0
89.66368	2.1
91.05473	15.4
93.07047	21.9
95.04961	7.1
95.08609	54.6
97.06534	6.2
99.08089	7.6
101.04211	4.6
103.05471	1.8
105.07018	22.4
107.08591	46.4
109.06514	22.5
109.09463	4.3
109.10165	68.0
111.08080	9.1
117.07028	2.4
119.08581	56.7
121.10150	28.5
123.08075	46.2
123.11703	8.9
125.09588	2.9
129.03706	3.2
133.06511	3.6
133.10133	38.3
135.11690	76.2
137.09622	37.4
138.10422	4.0
147.11676	6.3
149.13240	14.2
151.11162	13.8
151.14807	8.4
161.05896	2.1
165.16376	5.1
175.14827	47.3
178.02486	1.9
193.04965	7.0
193.08598	3.9
193.15886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05503	1.8
57.07072	1.0
58.99593	7.1
59.96725	1.0
61.01158	6.3
65.03936	2.2
67.05509	4.7
69.07074	47.4
70.25813	1.9
70.26225	2.6
70.99593	6.9
72.00353	3.5
73.01147	23.5
75.02711	72.4
78.96770	6.7
79.05502	15.1
80.06275	3.3
81.03426	1.1
81.07063	11.8
83.04996	1.0
85.01140	14.2
88.02206	2.2
89.04263	38.7
90.96760	2.1
91.05473	3.2
93.07024	2.5
95.04971	1.8
95.08626	2.8
97.01125	4.0
98.01891	1.4
99.02686	100.0
101.04234	1.2
105.07047	3.2
107.08593	1.4
109.06525	5.1
109.10162	1.3
111.02663	8.1
111.80354	1.0
112.03461	22.2
113.04238	28.6
114.05020	69.0
115.05402	2.0
116.98292	3.0
117.62302	0.9
118.99871	11.6
119.08609	2.5
121.01449	6.8
122.93950	37.1
122.94845	2.0
127.45414	0.8
128.02924	1.0
129.03694	1.2
129.99106	2.2
130.99872	1.3
133.02849	3.6
133.06465	1.9
133.10121	3.0
135.11670	1.2
137.05989	1.7
145.01414	15.5
146.02171	2.2
146.97476	6.1
149.02345	4.1
156.81982	0.9
161.06000	1.9
165.12698	1.0
169.99062	3.0
175.11203	1.2
175.14848	1.4
178.02661	3.4
178.07806	2.4
193.01852	7.8
193.04979	11.2
193.08539	1.3
193.10144	4.0
193.12248	3.3
193.15919	2.6
193.17679	1.2
194.15396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12231	1.7
53.03876	1.4
54.37868	1.5
55.01880	1.7
55.05514	3.1
57.07056	2.5
58.99585	6.2
61.01148	6.7
64.68391	1.7
65.03915	2.1
67.05503	7.4
69.07074	48.3
69.43550	1.5
70.97515	3.3
70.99575	6.5
72.00360	2.7
73.00774	2.5
73.01148	24.7
73.71922	1.5
74.33627	1.7
75.02711	78.0
78.96771	5.8
79.05496	16.1
79.55338	1.5
80.06261	3.2
81.03423	2.5
81.07066	14.7
85.01136	18.1
88.02223	2.9
89.03733	2.1
89.04266	37.0
91.05478	5.7
93.07034	4.8
95.04955	3.6
95.08591	5.3
96.49319	1.9
97.01104	4.6
99.02689	100.0
101.04226	2.3
105.07040	9.0
107.08608	3.8
109.06501	3.8
109.10130	2.2
111.02682	9.7
112.03459	22.4
113.04247	30.8
114.05022	69.1
114.17732	1.7
116.98280	5.5
117.84857	1.8
118.99879	14.0
119.08586	5.5
121.01430	6.0
121.41221	1.6
122.93944	31.3
128.96399	2.7
129.03694	3.3
130.99828	2.2
133.02858	4.0
133.06493	5.8
133.10120	6.0
135.08090	1.8
135.11674	4.5
137.06018	2.0
142.07170	1.9
145.01434	18.5
146.02196	4.0
146.97444	10.4
147.08116	2.2
147.11621	2.8
149.02357	3.8
153.60992	1.5
161.05942	4.1
169.99063	6.6
175.14799	2.2
178.02573	2.3
178.05188	1.9
193.01744	7.6
193.04997	16.9
193.06723	2.6
193.08589	2.7
193.10191	3.9
193.12302	5.0
193.15903	4.7
193.17699	2.5
208.98085	2.1
214.98137	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	193.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69922	1.0
55.01838	1.1
55.05510	3.1
56.96557	1.4
57.03431	1.4
57.07086	1.4
58.99588	7.1
61.01149	5.8
65.03931	2.5
67.05512	9.3
69.07076	50.1
69.62743	6.5
70.99587	7.9
71.04993	1.5
72.00347	3.1
73.01151	23.5
75.02713	79.5
78.96786	7.8
79.05069	1.2
79.05502	18.2
80.06275	2.9
81.03411	1.1
81.07059	15.2
83.04979	1.4
83.08653	1.3
85.01137	15.1
85.06532	2.0
87.02707	1.1
88.02218	1.7
89.04266	36.9
90.96777	1.0
91.05498	6.5
91.63241	0.8
92.98318	1.0
93.07043	5.7
95.04961	3.7
95.08627	10.4
97.01110	4.1
97.06548	1.5
98.21473	2.0
99.02687	100.0
105.07046	7.3
107.08585	4.3
109.06492	2.5
109.10168	4.7
111.02669	8.1
111.08054	1.5
112.03462	22.1
113.04244	27.4
114.05019	68.0
116.98302	2.5
118.99872	10.2
119.08592	8.6
121.01445	4.6
121.10164	2.2
122.93951	37.6
123.08101	2.3
128.02901	1.0
129.99113	1.5
130.99837	1.0
131.08566	1.1
133.02850	2.0
133.06546	1.4
133.10161	6.6
135.11711	3.2
137.06001	1.5
137.09590	1.5
145.01413	17.8
146.02159	1.9
146.97478	4.5
147.11667	3.8
149.02301	1.5
149.13260	1.8
165.05527	2.1
169.99033	1.4
175.14874	8.1
178.02592	1.5
193.01822	8.6
193.04997	11.6
193.06796	1.8
193.08658	1.5
193.10481	1.3
193.12270	2.7
193.15919	11.6
194.08231	1.2
204.00427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0656
Annotation	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
53.00323	0.6
53.03950	1.5
55.01864	0.9
55.05505	1.2
56.05026	0.9
56.96295	1.0
56.96570	17.3
57.03444	2.7
58.06590	1.3
59.07366	0.8
60.04500	0.6
60.62108	0.5
60.95861	0.5
61.01131	0.7
61.02916	1.4
68.05030	0.7
69.03422	3.4
69.07074	0.8
70.02945	0.5
70.03739	0.6
70.06582	1.7
71.01360	1.3
71.04988	0.8
71.54327	0.7
71.95280	0.6
72.04520	0.6
72.08141	0.8
73.02918	4.6
73.06551	0.6
73.88847	0.6
74.97610	0.7
75.08828	0.5
75.59087	0.5
79.05483	0.7
81.03407	1.4
83.00749	0.5
83.05015	0.5
83.06106	0.5
84.04498	1.0
84.08153	3.6
84.96024	1.1
85.02900	4.9
86.03249	1.2
86.09705	2.1
88.03994	5.4
90.94818	0.8
91.05499	3.6
94.05296	0.7
94.06573	21.2
95.04967	1.3
97.02350	0.6
97.02908	4.1
98.03214	0.6
98.97588	10.3
99.00827	12.1
99.97937	1.4
100.06562	0.5
101.00863	0.9
102.05529	0.5
102.09191	9.2
103.03985	0.6
104.04997	17.1
109.02901	0.8
110.01293	0.8
110.07175	3.8
110.97579	4.2
111.97903	0.6
116.51456	0.6
116.98629	4.9
117.05762	0.6
117.98917	0.6
118.06551	7.5
118.92079	0.7
119.01917	2.3
119.04977	0.8
119.51978	0.9
120.04440	3.0
120.08154	0.6
120.97849	0.7
122.06027	2.2
123.02085	0.6
127.03912	1.0
128.04984	2.3
128.52544	0.8
128.98637	3.8
129.98988	1.0
131.00180	1.5
131.01913	0.7
132.00555	0.6
132.03511	0.9
132.04460	18.9
132.06593	0.6
132.95856	2.8
133.03235	0.9
134.99657	1.2
136.07594	3.6
136.08501	0.7
136.93123	0.7
137.05994	2.7
142.67711	0.6
143.00183	1.1
143.01888	1.2
144.98103	0.5
145.03488	0.7
146.06021	100.0
146.99677	2.3
147.06448	0.9
148.08673	0.7
149.01263	1.3
149.02652	0.5
150.01454	2.3
150.04320	0.9
150.05516	15.7
150.96904	4.4
150.99095	0.7
154.94208	1.1
155.01904	0.9
155.04623	3.4
156.07729	0.9
157.01807	0.5
158.99710	1.9
161.01488	0.6
161.02969	1.6
162.99179	0.9
164.05168	1.0
164.07053	2.6
165.07742	0.6
165.28844	0.5
167.02185	0.6
167.97223	0.8
168.90988	0.6
168.98114	1.9
170.99683	0.7
173.02940	3.7
174.05528	21.0
177.00729	1.5
178.00917	1.9
185.03009	1.0
186.96785	2.3
186.99194	3.9
187.02812	1.2
189.00778	1.8
190.01140	0.9
192.04997	0.7
192.06566	8.3
192.10176	2.3
192.17502	1.2
193.03183	3.4
193.04813	0.6
193.07224	0.8
203.04013	0.7
204.97928	1.4
205.00252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03943	2.4
55.01866	3.0
55.05514	5.8
55.16394	0.8
55.24879	0.9
57.03418	1.0
57.07061	2.1
58.99587	1.0
65.03937	1.9
67.05178	1.2
67.05508	16.3
69.03423	8.7
69.06777	0.9
69.07072	9.9
71.04996	17.0
71.13245	1.5
73.01144	2.3
79.05496	13.5
81.03430	1.0
81.07062	12.8
83.04995	5.3
83.08607	2.4
85.01111	1.0
85.06554	6.8
91.05480	17.5
93.07043	19.7
95.04966	7.9
95.08616	12.7
97.01102	1.4
97.06531	8.5
103.05479	3.9
105.07035	34.6
107.04951	4.2
107.08598	50.8
108.08898	0.8
109.06522	12.2
109.10161	34.2
110.18591	0.9
111.02686	4.1
111.08068	2.5
112.03442	3.8
113.04234	0.9
115.05460	1.9
116.06227	0.9
116.98354	0.9
117.07018	6.4
118.04205	0.8
119.08595	14.5
121.06494	9.5
121.10149	42.0
122.07320	1.1
123.08072	12.8
123.11716	2.1
129.07007	3.0
130.07799	1.1
131.04919	2.8
131.08571	30.2
133.06496	2.8
133.10130	45.3
135.08057	30.1
135.11681	6.2
136.08765	1.3
137.09618	3.4
142.99884	1.3
143.08559	4.9
144.09329	1.9
145.06487	2.1
145.10132	15.1
147.08043	1.8
147.11696	21.0
148.05203	2.0
148.08838	1.6
149.05974	1.2
149.08507	1.3
149.09621	8.4
149.13260	17.3
155.04918	1.2
158.10901	9.6
161.09645	3.1
163.07538	3.2
163.11205	2.3
163.14812	4.0
173.05981	2.9
173.09657	1.9
173.13261	34.5
176.08296	0.9
176.11929	1.4
191.00156	3.8
191.03368	1.5
191.07045	7.8
191.10748	7.2
191.14310	100.0
191.17981	2.7
192.06721	0.9
192.10191	12.7
192.14604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01868	1.6
55.05508	2.9
57.03424	1.1
57.07076	1.9
57.25284	1.0
57.73375	1.0
63.53408	1.0
67.05508	9.4
69.03413	3.0
69.07066	5.7
70.32166	2.5
71.04996	5.8
78.94377	1.0
79.05501	8.0
81.07059	7.7
83.04989	2.0
83.08624	3.9
85.06546	3.4
87.03918	0.9
91.05479	18.1
93.07047	12.4
95.04975	9.7
95.08611	10.3
97.06532	6.7
105.07040	32.5
107.08605	19.5
109.06535	18.2
109.10163	35.3
112.99726	0.9
113.09664	1.0
115.05408	2.2
116.06163	1.0
117.07037	5.8
119.08594	16.0
121.06518	4.8
121.10143	14.8
123.08095	8.4
123.11695	3.4
124.40887	1.2
129.07002	4.0
130.07785	2.0
131.08577	41.5
133.10139	100.0
135.08063	38.9
135.11691	2.3
143.08549	4.9
144.09329	2.8
145.10127	17.5
147.11705	8.5
149.09628	7.6
149.13249	15.4
150.10423	1.1
158.10936	11.3
163.11249	1.4
163.14850	2.5
173.13277	52.8
176.11966	1.4
191.07034	1.0
191.14323	57.3
192.14677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	5.3
55.01866	3.2
55.05522	9.7
57.07060	3.3
58.00974	1.4
59.04992	1.9
59.52559	1.5
65.03926	4.1
67.05503	12.6
69.03085	2.1
69.03436	40.3
69.07072	13.7
69.91370	7.4
71.04970	4.2
79.05499	63.5
79.05962	3.1
79.40337	1.4
81.07062	55.6
83.04986	18.0
83.08607	3.4
85.06545	5.8
91.05485	26.5
93.07056	26.0
94.14580	1.6
95.04971	9.6
95.08606	10.9
97.06519	6.1
103.05476	4.3
105.07041	31.6
107.04963	39.8
107.08602	93.9
109.06525	12.7
109.10172	11.4
110.07300	2.4
111.02634	4.2
111.08083	4.2
112.03426	3.2
115.05434	2.1
116.98264	4.3
117.07030	6.9
118.04163	2.5
119.08595	14.1
121.06514	13.8
121.10155	32.8
122.07287	4.8
123.08104	11.6
124.50948	1.6
129.07010	3.4
130.07785	1.5
131.04980	1.5
131.08563	24.7
133.06529	3.1
133.10139	91.5
135.08066	25.2
135.11697	6.1
136.08833	2.3
137.09633	17.6
143.08585	6.4
144.09308	2.2
145.10103	13.0
147.07930	1.9
147.11734	12.0
148.05148	2.7
148.08786	1.8
149.09642	8.1
149.13283	17.8
158.10963	14.1
158.70161	1.4
161.09627	4.0
163.07542	3.5
163.14828	4.2
167.65704	1.5
173.13277	31.6
191.07022	5.7
191.14316	100.0
208.61311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
57.03434	1.1
57.07048	1.4
59.04975	1.0
63.47979	0.7
67.05500	2.3
69.03427	7.3
69.07065	4.2
69.82298	4.3
69.82681	1.7
71.04993	1.6
79.05486	3.6
81.07056	2.1
83.04988	8.2
83.08619	1.1
84.53644	0.8
85.06550	1.6
91.05490	8.0
92.61905	0.8
93.07043	5.9
95.04980	1.2
95.08607	2.8
97.06522	3.4
105.07040	14.5
107.08599	20.8
109.06510	2.5
109.10197	1.5
113.48318	0.7
114.81528	0.8
117.07009	1.9
119.08620	5.8
121.06500	4.3
121.10139	11.6
123.08099	2.2
123.11766	1.5
129.07004	1.9
131.08578	16.9
133.10136	51.7
135.08072	8.8
135.11670	1.9
143.08578	3.8
144.09387	2.1
145.10138	6.4
147.11703	6.5
149.09610	3.7
149.13266	7.3
157.10262	0.9
158.10919	7.3
161.09633	3.1
163.10986	0.9
163.14786	1.1
173.13278	21.9
175.57286	0.8
176.12039	1.6
191.06972	1.8
191.14317	100.0
192.14635	1.8
209.73019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	1.6
55.01865	1.8
55.05506	4.5
55.23119	1.0
56.39031	0.9
57.03418	1.6
57.07067	1.6
58.64034	1.1
62.86935	1.1
65.03949	1.1
67.05507	9.2
69.03430	11.3
69.07071	11.8
69.74258	4.7
71.04990	1.5
76.86564	1.0
78.97843	0.9
79.05501	10.2
81.07065	13.4
83.04996	9.6
83.08606	3.0
85.06522	2.7
87.77271	1.0
91.05482	10.8
93.07055	15.9
95.04973	12.5
95.08054	1.4
95.08615	17.9
97.06535	7.6
100.11324	0.9
101.00623	1.3
103.05488	1.0
105.07035	22.4
107.04961	3.6
107.08604	34.2
109.06522	7.7
109.10151	4.0
111.08066	2.9
115.05446	1.5
117.07021	4.5
119.08583	12.2
120.28901	1.1
121.06519	14.6
121.07384	1.6
121.10150	29.2
123.08067	6.7
129.07024	2.1
130.07840	1.5
131.04872	1.4
131.08582	24.0
133.06520	2.1
133.10141	43.6
135.08066	21.6
135.11693	6.8
137.09702	0.9
137.19095	1.0
143.08554	5.4
144.09346	2.3
145.10152	14.1
147.08051	3.6
147.11696	18.7
148.08859	5.3
149.09630	14.1
149.13266	14.7
150.10423	1.1
158.10915	9.3
161.09645	1.8
163.11206	2.2
163.14832	8.6
171.11688	1.0
173.09630	1.5
173.13278	28.2
176.11998	2.5
191.07024	1.2
191.14320	100.0
192.14659	1.6
194.49539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03946	3.7
55.01868	2.7
55.05268	1.5
55.05506	9.6
57.03418	1.8
57.07067	2.3
64.04036	1.3
67.05502	10.5
69.03447	8.6
69.07072	14.5
70.81139	1.6
70.81478	2.9
71.04984	3.7
75.85450	1.3
79.05501	16.7
81.07060	25.5
83.04993	13.1
83.08612	3.1
85.06530	4.3
91.05490	18.9
93.07050	32.1
95.04971	9.3
95.08611	29.5
97.06546	13.2
97.10171	1.4
103.05453	2.6
105.07039	33.1
107.04960	18.8
107.08603	73.1
109.06527	24.0
109.10181	7.4
110.62987	1.4
111.08080	6.7
117.06995	4.8
119.08577	19.8
121.06515	49.1
121.10149	65.2
123.08087	16.7
123.11707	1.6
129.07022	4.2
131.08568	40.7
131.09528	2.8
131.53595	1.4
133.10139	29.7
135.08066	30.2
135.11668	7.5
143.08559	7.5
144.09335	1.6
145.10138	18.6
147.11705	22.9
148.08826	2.7
149.09633	41.0
149.10677	1.4
149.13275	17.3
158.10896	10.0
163.11180	6.3
163.14851	18.7
173.13280	45.6
191.14322	100.0
192.14671	2.0
213.48582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
54.13573	0.9
55.01866	1.8
55.05505	4.2
56.96556	1.4
57.03436	1.2
67.05510	9.2
69.03432	6.7
69.07072	10.0
70.71986	2.9
71.04998	12.6
76.86202	1.0
79.05504	10.7
79.75621	0.9
81.07064	9.6
83.04980	2.6
83.08634	1.3
85.06551	6.4
91.05489	13.8
93.07043	15.3
95.04968	6.5
95.08616	13.7
97.01106	3.4
97.06548	13.8
103.05450	1.5
105.07040	24.6
107.04939	1.8
107.08604	33.4
109.06525	8.7
109.10185	6.0
111.02686	13.2
111.08074	3.2
112.02762	1.6
112.03461	17.7
113.98985	2.9
115.05458	3.1
116.98315	1.8
117.07002	3.1
119.08603	12.1
121.06522	3.9
121.10155	33.3
122.05269	1.1
123.08088	4.9
129.07007	1.9
131.04918	1.3
131.08580	19.4
133.06615	1.2
133.10136	26.2
135.07108	1.8
135.08064	23.3
135.11644	2.4
142.99864	3.1
143.08569	4.3
144.09373	2.0
145.10136	11.4
147.11711	17.3
148.05252	2.1
148.08736	1.0
149.09645	7.4
149.13281	16.7
156.76315	1.1
158.10931	6.7
161.09586	1.3
163.07625	2.0
163.11197	1.7
173.06023	1.0
173.09631	1.6
173.13284	31.1
176.11826	1.3
191.00162	1.5
191.03391	1.0
191.06969	5.0
191.10817	4.7
191.14322	100.0
192.14684	1.6
192.19603	1.1
195.07030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
53.16691	1.4
55.01859	1.5
55.05505	5.7
57.03418	1.8
57.07081	1.9
58.17643	1.4
59.05008	1.9
67.05508	9.5
69.03433	6.8
69.07077	13.0
70.99508	2.6
71.04993	6.1
74.14708	1.3
79.05504	10.4
81.07073	12.7
83.04993	9.2
83.08617	4.4
85.06538	3.0
91.05489	23.0
91.62988	1.5
93.07064	16.4
95.04987	5.8
95.08617	13.1
97.06564	8.4
103.05446	4.3
105.07038	43.5
107.04958	3.4
107.07871	2.1
107.08604	42.2
109.06522	13.2
109.10155	15.7
111.08113	3.4
115.05453	2.6
116.06260	2.2
117.07027	7.2
118.06551	1.6
119.08586	22.9
120.08101	2.2
121.06509	15.2
121.10147	27.0
123.08100	8.2
123.11710	1.5
129.07016	4.1
130.07799	2.3
131.04909	2.1
131.08578	44.2
133.06511	2.1
133.10138	100.0
135.08067	26.9
135.09071	0.9
135.11708	4.7
135.66212	1.3
143.08583	9.5
143.09554	1.4
144.09358	2.7
145.10143	21.9
147.11707	21.0
148.05185	1.7
148.08861	2.1
149.09636	20.8
149.13243	17.0
158.10927	14.2
163.11189	3.6
163.14833	7.8
173.13286	59.1
191.08264	3.2
191.14336	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.48736	1.2
55.01874	1.9
55.05516	8.9
57.03424	1.6
57.07074	2.9
57.19968	1.2
59.04987	2.0
62.33113	1.4
67.05521	7.2
69.03419	6.1
69.07071	11.1
69.45966	9.0
71.04983	5.6
74.02190	1.4
79.05494	14.5
81.07066	14.8
83.04983	6.4
83.08610	5.2
85.06529	4.5
91.05481	22.8
93.07044	23.8
95.04953	6.1
95.08609	15.9
97.06535	10.5
98.14130	1.4
98.20755	2.8
103.05441	3.6
105.07039	43.9
107.04941	3.5
107.08599	37.2
109.06528	9.8
109.10168	9.9
111.08079	3.9
115.05486	1.8
117.07014	5.6
119.08588	17.1
120.08135	2.3
121.06523	12.3
121.10158	24.6
123.08070	9.0
123.11676	3.2
129.06970	3.4
130.07837	2.4
131.04944	2.3
131.08574	39.0
133.06470	1.5
133.10139	100.0
135.08064	23.4
135.11722	8.5
143.08537	9.2
144.09315	3.1
145.10133	22.3
147.08092	2.2
147.11688	23.7
149.09628	12.6
149.12149	2.0
149.13261	16.4
150.10384	3.0
156.09183	1.5
158.10910	13.7
161.09599	2.7
163.07544	3.4
163.11189	3.4
163.14845	5.7
171.11761	1.4
173.09683	1.8
173.13269	57.0
174.13583	1.8
176.12029	2.9
191.07057	3.7
191.10672	4.6
191.14314	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.54349	1.0
53.03961	2.3
54.24118	1.0
55.05512	6.3
57.03428	2.6
57.07071	2.4
59.04978	1.6
67.05514	7.6
69.03443	7.0
69.07064	7.9
69.54984	5.1
69.55399	2.6
71.04984	4.2
79.05500	7.2
81.07058	8.6
83.04994	5.2
83.08606	2.9
85.06545	3.3
86.09710	1.2
91.05479	16.8
91.91742	1.0
93.07050	12.4
95.04952	4.8
95.08609	11.6
97.06540	8.4
98.21478	2.0
103.05475	3.1
105.07031	40.5
107.04972	2.9
107.08594	28.7
109.06531	7.9
109.10154	11.3
111.08100	2.0
115.05497	1.2
117.07023	5.5
118.07828	1.5
119.08596	17.5
120.08083	2.6
121.06520	8.6
121.10151	21.5
123.08059	9.4
123.11646	1.3
129.06990	4.0
130.07773	2.3
131.04933	1.6
131.07588	1.7
131.08575	38.4
133.10136	100.0
135.08055	18.2
135.11687	4.1
137.09654	1.3
143.08582	6.5
144.09351	2.2
145.10121	16.7
147.08116	1.3
147.11702	15.7
148.08813	1.6
149.09633	18.3
149.13271	15.1
150.15785	1.0
150.98947	1.1
156.14671	1.0
158.10910	12.9
161.09695	1.6
163.07489	1.5
163.11201	2.9
163.14804	4.7
173.13278	48.6
176.12129	1.1
191.06941	2.3
191.14317	71.0
192.14674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01875	1.9
55.05518	5.4
57.03424	2.4
57.07073	2.6
59.04996	2.3
65.03941	1.3
67.05516	12.9
69.03432	3.2
69.07073	8.0
70.09161	1.2
70.09534	1.8
71.04994	8.3
79.05499	9.2
81.07063	10.0
83.04978	3.2
83.08651	4.7
85.06545	3.0
91.04969	1.7
91.05496	18.4
93.07050	12.6
95.04980	10.6
95.08613	12.1
97.06533	8.1
103.05482	2.2
104.17542	0.9
105.04633	0.8
105.07043	38.3
107.04980	1.2
107.08607	27.8
109.06536	23.9
109.10168	34.8
109.10938	1.7
111.08044	1.4
115.05487	2.7
115.60066	0.8
116.06222	1.5
117.07036	6.6
118.07842	1.0
119.06197	0.9
119.08594	18.1
121.06518	5.6
121.10156	19.9
123.08082	9.2
123.11710	3.1
129.07019	3.7
130.07857	2.0
131.04982	0.8
131.07579	1.8
131.08585	47.9
133.10144	100.0
134.10484	1.2
135.08069	40.1
135.11716	3.8
143.08565	7.7
144.09384	3.1
145.10139	18.3
147.08052	1.9
147.11705	11.5
148.08856	1.5
149.09648	10.6
149.13281	17.3
150.10408	2.0
158.10936	14.4
161.09689	1.3
163.11232	2.3
163.14865	3.8
163.22665	0.9
171.11742	0.9
173.13283	60.2
174.13608	1.1
176.11987	2.3
191.07076	2.0
191.14331	69.3
192.14700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.2
52.12113	0.9
53.00293	1.1
53.03947	5.9
55.01866	4.0
55.05520	8.3
57.03421	0.9
57.07064	2.3
59.05008	1.2
65.03933	3.4
67.05180	1.0
67.05511	14.5
68.63857	0.8
69.03435	27.2
69.06791	0.9
69.07072	11.2
69.38803	1.7
69.39214	5.8
70.87448	0.9
71.04992	3.6
73.01131	2.5
79.05499	53.0
81.03426	1.4
81.07062	41.1
83.04986	15.6
83.08595	4.0
85.02904	1.1
85.06542	3.1
85.67816	0.9
90.04668	1.1
91.05485	39.7
91.36005	0.8
92.06263	1.6
92.33400	0.9
93.07056	23.6
95.04974	10.8
95.08617	11.4
97.06544	5.9
100.99979	1.6
101.00607	19.6
103.05479	8.0
105.03377	1.7
105.04482	1.8
105.07039	32.4
107.04964	35.5
107.08600	69.6
109.02854	1.3
109.06523	12.4
109.10165	17.6
111.08092	3.3
112.03490	1.2
115.05472	2.4
116.06240	1.7
117.07040	10.1
118.04198	1.3
119.04957	9.9
119.06124	1.3
119.08596	14.8
120.05775	4.6
121.06522	15.1
121.09309	1.9
121.10150	30.2
122.07290	1.9
123.08073	6.9
128.06207	1.3
129.07019	5.0
130.07780	2.1
131.04968	4.8
131.08582	28.8
132.05719	3.0
132.97758	1.4
133.02872	5.6
133.06548	4.4
133.10141	72.7
135.08058	29.9
135.09102	1.5
135.11665	6.3
135.57791	0.9
136.08821	1.5
137.09628	12.3
143.08618	5.7
144.09360	2.6
145.01260	1.0
145.06499	3.3
145.10133	18.9
147.08031	3.7
147.11684	13.1
148.05200	57.0
148.08771	1.3
149.09650	13.4
149.13254	15.8
152.04691	2.5
155.08574	3.2
158.10919	8.4
161.09622	4.6
163.07556	31.2
163.11148	6.5
163.14809	2.3
173.00914	2.6
173.09673	10.2
173.13272	32.0
176.04706	6.6
176.11960	1.3
191.07042	84.1
191.10657	13.0
191.14314	100.0
191.17911	2.0
192.07306	1.5
192.14569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05502	2.1
56.96560	0.6
65.03927	1.1
67.05512	4.2
68.08240	0.6
69.03423	3.3
69.07062	2.5
69.84428	1.1
69.84845	2.0
71.04984	2.2
75.02710	1.0
78.96779	1.7
79.05492	4.6
81.07066	3.3
83.04969	1.5
83.08582	0.7
85.01156	1.2
87.49098	0.6
91.05481	3.8
93.07052	4.7
95.04974	2.3
95.08607	2.6
97.01123	18.1
97.06498	1.3
99.02706	3.8
103.05476	1.1
105.07037	6.7
107.04955	1.3
107.08597	8.7
109.06516	2.0
109.10172	5.5
111.02672	97.4
112.03456	100.0
113.04268	1.3
115.05483	1.0
116.98312	0.9
117.07032	2.6
118.04117	0.6
119.08605	2.8
121.06525	2.0
121.10146	5.3
123.08064	2.0
130.07835	0.7
131.04958	0.7
131.08578	8.1
133.10138	13.4
133.11087	1.2
135.08058	8.4
135.11674	1.0
137.09644	1.4
142.99857	23.4
143.08588	1.8
144.00638	3.2
145.10126	6.3
147.08018	0.6
147.11674	2.7
148.05138	1.4
149.09592	3.9
149.13257	2.7
158.10854	1.7
163.07576	1.6
163.11176	1.4
171.71065	0.5
173.09676	1.6
173.13271	8.9
176.04640	1.0
191.00194	8.5
191.03345	1.1
191.06989	3.3
191.10681	3.4
191.14320	19.6
191.17966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58498	0.3
53.03942	0.3
58.34768	0.3
66.79163	0.3
67.05526	0.9
69.95144	1.9
78.96786	1.4
79.05496	2.2
80.73559	0.4
83.04994	0.4
91.05472	0.5
95.04961	0.3
97.01125	16.1
97.06490	0.4
99.02686	1.9
102.46762	0.4
103.05473	0.4
105.07063	0.4
109.10171	0.4
111.02677	86.3
112.03460	100.0
113.03786	0.6
121.10094	0.4
127.02229	0.5
131.08644	0.6
135.08061	0.9
142.99866	17.8
144.00630	0.8
145.10161	0.8
147.11687	0.8
158.10898	0.4
167.68193	0.3
173.13248	0.6
191.00208	8.7
191.10678	0.8
191.14333	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	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
56.05033	0.6
56.96577	0.3
60.38618	0.3
69.03449	0.2
69.75430	0.2
70.06599	0.4
70.74042	0.5
70.74374	0.5
72.39646	0.3
84.04516	0.2
84.08128	0.3
85.02887	0.4
89.03913	1.3
91.05506	0.2
95.06079	0.5
96.08107	0.2
98.06059	0.3
100.03976	0.5
108.08094	0.3
112.05197	0.3
116.04987	3.1
118.06532	0.5
125.20125	0.2
129.56337	0.2
130.06535	1.4
134.06010	0.4
144.04456	0.7
144.06563	0.3
144.08107	0.8
162.05505	100.0
163.05852	1.7
172.07579	0.4
190.04997	35.4
190.13379	0.6
191.05299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.9937
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12663	24.3
66.71761	23.7
70.06281	100.0
103.00019	29.8
123.34690	23.2
127.51326	29.8
147.69739	30.1
203.97275	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88126	0.2
56.96340	0.3
56.96572	4.1
57.07085	1.5
58.99865	1.0
65.19978	0.2
69.03427	0.6
70.26704	0.7
70.27053	0.4
70.32501	0.2
74.97629	0.3
77.00913	0.6
77.80581	0.2
81.03423	0.8
85.21422	0.3
92.78432	0.2
98.97594	5.7
99.97910	0.4
100.02476	0.4
101.00888	0.4
102.00936	0.8
103.02451	0.6
104.02529	0.6
115.02422	0.8
116.98638	6.6
117.98927	0.3
118.03464	0.3
119.00324	0.3
119.01935	3.0
120.02013	4.1
121.01664	1.0
121.03472	0.6
127.02444	0.4
129.04002	1.5
131.00140	0.8
133.03427	0.7
134.99672	5.6
135.99950	0.3
137.03009	1.4
138.03108	2.0
139.02502	0.9
139.50967	0.4
140.00740	0.4
140.50992	0.2
142.01129	0.3
142.03403	0.3
144.05103	0.3
145.03487	1.7
146.78380	0.2
147.05042	0.9
147.49893	0.3
148.05180	0.5
148.51469	0.3
148.97449	0.3
149.01228	3.9
151.01740	0.5
151.51662	0.3
151.98013	0.2
153.00722	0.7
157.03471	4.0
159.01421	0.3
159.04976	0.5
160.52130	0.4
161.12924	0.2
162.06227	0.3
163.04449	0.3
163.23956	0.3
166.00986	0.3
167.00407	0.8
167.01907	7.9
168.05095	0.8
172.02744	0.5
175.04643	0.6
176.33659	0.2
177.00937	0.4
179.10493	0.7
180.05113	0.4
181.02153	0.2
184.04527	0.4
185.02974	100.0
186.03185	2.6
187.03348	0.5
190.02188	0.3
190.03723	1.9
190.06297	0.7
199.04605	1.5
203.04027	18.2
204.04156	0.5
208.04584	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	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03932	1.2
55.01873	1.5
55.05515	10.4
57.03422	0.9
57.07064	2.1
59.05008	0.9
59.58278	0.7
60.05630	1.3
62.69534	0.7
65.03951	1.2
67.01193	0.8
67.05502	6.7
69.03438	3.6
69.07067	13.6
69.53039	4.7
70.06609	4.2
71.04962	1.0
72.08151	1.4
75.05581	2.1
79.05505	5.9
81.07064	16.1
82.18852	0.8
83.04983	1.6
83.08614	6.7
84.04494	3.4
84.08144	1.0
85.02879	1.2
85.04842	2.4
86.09708	18.9
91.05477	16.9
93.07039	7.9
95.04961	1.9
95.08611	24.2
97.10150	1.5
98.20770	1.5
103.05495	1.5
103.51963	0.7
105.07036	43.9
107.08612	13.2
109.06535	1.3
109.10156	8.3
112.27463	0.7
115.05452	2.8
117.07019	4.5
119.04955	2.3
119.06835	2.6
119.08587	71.6
121.06492	0.9
121.10148	7.3
126.05447	0.9
128.06210	4.2
129.07008	6.6
130.07784	2.1
130.08661	0.8
130.99872	0.9
131.04915	1.0
131.08577	14.8
132.10207	5.5
133.06491	2.8
133.10135	58.3
135.08072	1.4
135.11685	2.4
141.06996	2.8
143.08546	5.7
143.11800	4.3
144.09348	1.2
145.06505	2.3
145.08417	1.2
145.10133	14.4
146.06035	1.3
146.07248	1.6
146.10870	2.9
147.06348	2.1
147.08061	7.7
147.11696	49.9
149.02293	0.8
156.09355	16.0
157.06522	2.0
159.08066	4.5
159.11696	5.8
160.08865	1.3
160.12442	2.4
161.06007	1.8
161.09625	3.5
161.13255	17.0
169.83772	0.7
171.08012	1.2
171.11691	15.2
173.13179	0.8
174.06805	3.9
174.10420	8.5
174.13994	2.3
189.03760	0.9
189.05467	2.5
189.09082	9.9
189.12749	44.4
189.16385	100.0
190.13104	1.3
190.16710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88493	0.7
55.01860	1.6
55.05516	3.8
57.07064	2.4
59.04992	1.2
59.07762	0.8
67.05502	3.3
69.03430	4.3
69.07063	3.8
69.57062	4.7
79.05501	4.8
81.07067	4.1
83.04977	2.0
86.09706	1.4
91.04967	1.3
91.05489	20.6
93.07070	4.8
95.04961	3.4
95.08601	2.5
97.06515	1.5
102.14986	0.8
103.05505	1.4
105.07039	24.6
107.04967	6.9
107.08580	3.9
109.06518	2.5
113.12662	0.8
115.05449	2.3
116.06225	2.6
117.07058	4.7
119.04955	9.3
119.08591	42.6
120.05338	0.8
121.06496	2.8
121.10157	3.1
128.06197	4.2
129.07002	8.2
130.07755	1.2
131.08578	27.7
132.05698	1.8
133.06497	9.3
133.10133	15.4
135.08066	2.4
141.07013	2.6
142.07852	1.1
143.08566	8.7
145.06491	3.5
145.10129	11.3
146.07295	1.8
146.10902	2.1
147.08060	36.3
147.09222	1.9
147.11699	24.9
156.09364	22.0
159.08083	13.1
159.11716	2.4
160.08858	6.0
161.09666	5.8
161.13266	18.5
171.11700	29.5
174.06836	1.1
174.10417	26.2
189.05511	1.2
189.09126	3.5
189.12756	100.0
190.13078	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.0
62.77544	0.8
67.05498	2.9
69.03432	5.1
69.07058	1.3
70.09039	2.9
72.34608	0.8
79.05484	3.1
81.00118	1.8
81.07045	1.8
83.04980	0.9
86.09702	1.7
91.05482	8.4
93.07049	2.2
95.04981	1.4
96.83096	0.8
98.21462	1.1
99.40004	0.8
100.39771	0.8
105.07035	17.0
107.08587	3.6
109.06527	1.0
115.05452	1.0
115.69301	0.8
117.07027	5.0
119.04974	0.9
119.08596	28.8
121.06530	1.4
121.10159	1.6
122.38431	0.9
128.06227	3.2
129.07014	3.4
130.07793	3.5
131.08592	9.0
133.06502	2.4
133.10135	10.8
135.08080	2.3
141.06995	7.5
142.07832	0.9
143.08603	5.6
144.09315	2.5
145.06479	2.9
145.10143	11.9
146.07344	1.1
146.10912	2.1
147.08063	13.3
147.11699	16.3
155.08540	1.4
156.08060	1.9
156.09363	45.6
159.08075	9.9
159.11703	11.2
160.08896	4.7
161.09662	5.0
161.13309	11.8
171.11711	55.7
172.12007	1.2
173.09631	1.2
174.10420	22.2
177.44893	0.8
187.11192	1.3
189.12769	100.0
190.13040	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19263	0.9
52.35891	1.0
55.05497	1.2
55.47987	0.8
67.05497	1.9
69.03432	9.7
69.07053	1.5
69.46379	3.7
69.46800	2.8
79.05469	3.0
81.07022	1.0
85.04805	0.9
91.05488	8.9
93.07036	3.1
95.04972	1.3
96.04263	1.1
103.05434	1.1
105.07038	21.0
107.08586	3.3
109.06522	1.5
115.05440	1.5
117.07026	4.7
119.04932	2.2
119.08592	29.3
121.10126	1.8
128.06210	2.4
129.07005	5.5
130.07780	4.1
131.08569	6.8
133.06458	4.5
133.10120	8.1
135.08072	2.5
141.06979	10.0
142.07794	1.6
143.08568	9.0
144.09293	1.3
145.06479	1.5
145.10115	17.4
146.10909	1.2
147.08058	11.4
147.11707	19.8
155.08585	2.9
156.09361	53.9
159.08101	6.1
159.11702	12.5
160.08846	2.5
161.09637	3.8
161.13261	7.9
171.11696	57.2
174.10414	10.5
178.15131	1.0
189.12753	100.0
190.13101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	19461-38-2
Peak:m/z	Relative Intensity
56.96567	1.8
60.05664	0.3
69.07083	0.3
69.64922	1.9
70.06593	0.9
72.08174	0.4
74.76683	0.3
75.05576	0.4
76.86739	0.3
77.62964	0.3
84.08163	0.6
86.09710	100.0
87.10055	0.9
90.69804	0.3
98.97591	1.7
116.98679	1.0
130.08693	0.5
132.10214	33.0
133.10551	0.6
134.99699	0.5
137.85103	0.3
143.11800	19.2
189.12517	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1237
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
55.01874	0.6
55.05510	1.0
55.49683	0.3
56.05038	1.3
56.96570	21.3
57.03422	1.1
57.05818	0.4
58.06606	0.6
58.96169	0.4
58.99869	0.3
60.04525	0.7
60.05643	0.5
60.08162	2.8
61.01151	0.7
61.02927	0.8
67.05518	0.7
69.03428	1.6
69.07072	10.8
70.02872	0.8
70.03268	0.5
70.06596	4.1
70.98125	0.6
71.01358	0.4
71.04974	0.4
71.95271	1.3
72.08160	3.1
73.01147	0.8
73.02914	1.1
74.06071	0.7
74.07187	0.5
74.97632	0.7
81.03429	0.9
84.04495	1.9
84.08148	10.8
84.96024	0.7
85.01420	0.3
85.02910	1.9
85.06544	0.6
85.08485	0.8
86.09711	100.0
87.04470	0.4
87.10040	1.0
88.93734	0.7
89.00639	0.4
91.05487	0.6
97.00522	0.3
97.02873	1.3
98.06048	0.4
98.97591	31.3
99.04451	0.7
100.93752	0.5
100.99158	3.8
101.00890	2.1
103.02477	1.4
104.93219	0.3
105.07083	0.3
105.47855	0.3
106.96611	0.5
107.04981	1.6
109.02875	0.3
110.97584	1.2
111.04443	0.4
112.07599	0.3
112.99101	0.5
113.07133	0.7
115.03958	0.3
116.07086	1.1
116.93222	0.5
116.98631	21.8
118.01014	0.4
118.08677	0.4
118.94781	0.6
118.98363	0.3
119.00189	1.6
119.01924	7.8
119.04967	0.3
121.01665	0.5
121.03491	0.6
124.97592	0.6
124.99169	0.3
126.05497	0.3
127.00756	0.3
127.01594	0.7
128.98621	1.7
129.10222	0.5
129.93939	1.9
130.05005	0.5
130.08658	4.5
131.00174	1.1
131.01903	0.5
132.10222	3.0
133.03482	0.3
133.06499	0.3
134.99670	10.5
136.01160	0.4
136.75507	0.3
137.02959	2.3
140.00237	0.6
141.02271	1.0
142.98544	0.3
143.00180	1.3
143.06488	0.3
143.11783	1.7
144.11302	0.4
144.13814	0.4
145.01735	0.7
145.03487	0.8
146.99667	1.6
147.01430	0.9
147.03317	0.8
147.04945	0.3
147.95045	1.6
149.01270	0.9
149.02888	0.4
153.00708	0.7
157.01486	0.3
158.01323	0.6
158.99683	0.8
159.03304	1.7
160.99446	0.4
161.01239	1.7
161.02963	0.8
161.05949	0.4
162.05443	0.6
162.99156	0.4
163.02914	0.3
163.04527	0.5
165.00719	2.2
165.04425	0.7
165.96133	0.7
166.91505	0.6
168.02705	0.4
168.05484	0.6
172.09682	0.7
173.01306	0.3
177.00720	0.9
177.03320	0.9
177.06044	0.8
179.02367	0.3
183.00267	0.3
183.01830	1.3
184.92503	0.5
185.03046	0.9
188.98979	1.4
189.00751	1.1
189.02484	0.7
189.04317	0.8
189.07121	3.5
189.12450	0.9
189.13762	0.3
189.15926	1.4
191.00555	0.6
191.02322	0.4
201.00879	0.4
207.00034	2.2
207.01790	0.8
207.03574	0.6
207.05290	1.3
209.01630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55775	0.4
58.78315	0.4
66.33062	0.4
70.80186	0.6
72.17479	0.4
82.54030	0.4
84.04488	0.9
91.05482	4.6
103.05444	0.6
115.05455	5.8
117.05756	1.1
117.07030	5.2
118.06546	72.5
119.06868	0.7
132.08040	0.6
139.76239	0.4
142.06540	7.2
142.48051	0.4
143.07314	11.8
144.08090	26.5
145.06467	0.9
146.06012	100.0
147.06355	1.4
155.06020	0.9
160.07573	1.0
170.06023	9.6
188.07079	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.68247	1.0
91.05487	4.6
115.05466	6.0
117.05765	1.7
117.07032	4.6
118.06554	72.0
119.06885	0.7
120.16600	0.4
132.08151	0.8
142.06551	5.6
143.07317	12.9
144.04469	0.5
144.08102	23.3
145.06505	0.5
145.08421	0.6
146.06021	100.0
147.06378	1.5
155.06044	0.9
160.07545	0.8
170.06029	9.4
183.90105	0.4
188.07086	21.4
193.21851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
55.27777	0.6
55.93521	1.5
56.94311	6.8
65.41813	0.6
67.05523	0.7
69.67383	4.0
70.95505	1.2
70.95870	14.1
72.93796	43.5
73.20860	0.7
78.85294	0.8
82.06584	0.8
86.95261	0.7
88.02209	1.2
88.96912	7.6
89.94032	3.4
90.94839	23.3
95.11636	0.6
100.96921	1.3
102.94823	5.1
103.02546	0.8
104.96347	2.0
106.97939	1.0
107.95077	2.0
108.95866	6.6
109.49573	0.8
111.98512	1.7
113.85429	0.7
113.95599	0.9
113.96405	22.1
116.96371	23.6
118.94296	3.8
120.95885	2.3
125.96089	2.2
128.07054	2.2
131.97458	14.8
132.95839	2.6
134.97408	24.4
136.95325	2.9
142.08708	1.2
144.95836	7.2
145.10117	0.8
146.10445	1.0
146.97403	6.6
148.97655	0.9
154.99048	4.6
155.97462	1.2
157.98987	7.2
162.96896	4.4
164.98473	100.0
167.97464	1.0
169.99030	1.7
170.08122	1.4
179.00052	1.0
188.00079	18.3
188.01727	1.6
188.09227	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	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03958	1.0
55.05512	2.7
57.07081	6.6
58.99614	0.7
65.03934	0.7
67.05509	9.4
69.03430	1.1
69.07065	4.3
70.01083	2.8
78.26750	0.7
79.05495	7.2
81.03425	2.2
81.07066	5.0
83.08621	2.5
83.71439	0.6
85.02910	1.0
88.02226	6.2
91.05488	21.0
93.07038	7.3
94.47765	0.7
95.04977	1.1
95.08600	5.1
103.05454	1.4
105.07037	22.0
107.08597	4.4
109.10133	0.8
113.04254	3.0
114.05492	0.7
115.05386	1.2
116.06252	1.4
117.07025	22.9
119.08591	18.8
121.10119	3.8
125.04251	0.7
127.05851	1.0
128.06229	1.1
129.07022	4.8
130.07828	3.7
130.08630	0.7
131.08575	63.3
132.08929	1.1
133.10138	4.5
143.08569	4.3
144.09360	1.9
145.10132	98.3
146.10533	1.8
153.07361	0.8
157.10139	2.3
158.10933	1.8
159.08093	0.8
159.11684	12.6
172.12462	0.9
173.00829	1.2
185.13329	1.3
187.06102	2.3
187.11380	3.1
187.14836	100.0
188.15186	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	188.0007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20338	1.0
55.93517	2.4
56.94323	6.9
69.37628	8.1
70.95872	14.8
71.92972	0.9
72.93797	46.7
74.95385	1.2
88.96916	7.8
89.94049	2.2
90.94836	27.2
95.69955	0.8
96.08157	1.0
98.20824	2.4
102.94852	5.4
104.96369	1.2
106.97903	1.3
107.95065	2.5
108.95892	5.5
111.98492	1.8
113.96416	26.5
116.96384	22.2
116.97186	2.1
118.94319	3.9
120.95911	1.0
121.03040	1.1
125.96113	2.2
129.99687	1.0
130.96695	1.3
131.97456	15.6
132.95842	2.2
134.97414	28.1
136.95346	3.6
141.78210	1.0
142.08687	1.1
144.95859	7.8
145.10049	1.1
146.97382	7.1
150.96931	1.1
152.98364	1.0
154.99045	5.4
155.97498	1.0
157.99030	7.1
159.96886	1.4
162.96919	4.9
164.98476	100.0
169.99031	1.7
179.00005	1.3
187.22539	1.1
188.00070	19.8
188.09145	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	188.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04392	0.8
55.05500	0.9
55.93521	2.4
56.94312	7.0
57.03451	0.9
64.51640	0.8
66.25874	0.9
67.05508	1.2
70.95867	16.2
71.16902	1.7
72.93795	45.9
84.04513	2.3
87.04488	1.5
88.02255	1.2
88.96906	7.8
89.94048	3.0
90.94836	26.0
91.05487	1.1
97.10133	1.1
97.60428	0.9
98.06043	1.0
100.96899	1.1
102.94830	4.4
103.02456	1.0
104.96398	1.4
106.97926	2.2
107.95085	2.4
108.95871	5.4
110.06073	1.2
111.98500	2.2
113.95608	1.2
113.96414	25.0
116.96377	24.1
116.97175	1.7
118.94308	4.4
120.95869	2.0
121.03456	1.0
125.09596	1.3
125.96142	1.9
128.07094	1.7
131.97450	13.4
132.95856	2.2
134.97415	28.1
136.95326	4.5
142.12346	1.0
144.95839	7.2
146.97423	8.5
150.96860	1.0
152.98581	1.1
154.99048	3.8
155.97424	1.3
157.98967	5.9
162.96925	5.4
164.98479	100.0
167.97493	1.1
169.99011	1.2
178.99950	0.9
187.22601	1.3
188.00070	19.9
188.09253	3.9
188.15224	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	187.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00330	0.6
53.03945	0.8
54.81034	0.7
55.00132	0.7
55.05517	2.9
56.97454	0.6
57.07079	5.4
57.73503	0.6
58.99581	0.6
61.72022	0.6
65.03940	0.7
67.05171	0.9
67.05508	9.8
69.03423	1.9
69.07073	3.6
71.36140	1.2
77.31793	0.6
79.05501	7.1
81.03436	2.4
81.07063	7.4
82.82295	0.7
83.08620	2.7
85.02911	1.5
88.02225	7.4
91.05486	23.4
91.37833	0.7
93.07059	7.5
95.04984	1.2
95.08621	4.4
98.36050	0.6
103.05439	1.3
105.07034	21.3
107.08607	3.1
109.06504	0.7
109.86648	0.7
111.02715	0.7
113.04221	1.2
115.05403	1.4
116.06239	1.6
117.07025	22.9
119.08594	19.7
121.10158	3.1
128.06204	0.7
128.07103	1.0
129.07010	4.8
130.07828	4.4
131.08577	60.1
132.08913	1.1
133.10139	4.2
136.06207	0.8
143.08566	5.4
144.09386	3.9
145.10133	97.7
146.10509	1.3
157.10129	2.4
158.07208	0.8
158.10921	2.5
159.06981	1.5
159.08113	0.9
159.11697	15.7
169.10185	1.6
172.12471	1.4
173.00816	0.9
185.13295	1.0
187.04150	1.0
187.06090	1.7
187.11314	6.4
187.14835	100.0
188.15202	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03950	0.7
55.05508	2.4
56.96581	0.9
57.07078	4.3
60.00465	0.5
62.96939	0.6
64.57570	0.7
67.05167	0.8
67.05505	9.8
69.03426	0.9
69.07076	4.9
71.55500	0.6
79.05490	7.9
79.70776	0.6
80.08552	0.6
81.03414	1.9
81.07072	6.3
83.08614	2.6
83.90303	0.6
85.02899	1.1
88.02216	6.6
90.51023	0.7
91.05489	20.4
93.07054	6.2
95.04982	1.3
95.08603	3.8
99.04456	0.6
103.05497	1.0
105.07038	20.9
107.08615	4.8
109.10179	1.1
109.51184	0.7
111.04445	0.6
113.04227	1.8
115.05412	0.9
116.06248	1.4
117.07029	22.2
119.08588	15.7
121.10157	1.9
127.03922	1.0
128.06189	1.1
129.07005	3.8
130.07820	5.5
131.08580	56.5
133.10127	5.8
143.08545	3.2
144.09312	2.2
145.10135	93.4
146.10500	1.3
157.10156	1.7
158.10902	1.2
158.44176	0.6
159.08138	0.7
159.11702	13.5
160.11978	0.7
167.64589	0.6
169.10193	0.8
173.00842	1.8
185.13203	0.8
187.04196	0.7
187.06129	1.4
187.11397	4.2
187.14841	100.0
188.15189	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05493	2.8
57.07069	4.7
67.05517	8.7
69.03415	2.4
69.07057	3.9
79.05491	6.5
81.03405	2.6
81.07059	6.3
83.08616	2.3
84.04517	1.2
85.02910	1.1
88.02218	12.8
91.05482	20.0
92.32127	1.0
93.07063	6.8
95.08607	5.1
103.05474	1.1
105.07030	14.9
107.08585	2.9
115.05468	2.8
115.53951	0.8
116.06147	1.6
117.07023	22.9
119.08583	17.1
121.10135	3.4
128.06203	1.4
129.07004	4.0
130.07776	3.6
131.08577	57.1
133.10121	4.5
142.51761	1.0
143.08580	4.5
144.09360	2.6
145.10130	89.8
146.10664	1.0
153.07333	0.9
154.07632	1.0
157.10127	1.6
158.10913	1.0
159.06956	2.0
159.08107	1.0
159.11708	15.0
169.10162	1.1
172.12589	1.3
173.00813	2.2
185.13297	1.7
187.06120	1.0
187.07600	1.4
187.11195	3.3
187.14828	100.0
187.22513	2.0
188.15146	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1128
Annotation	N-Isovaleryl-L-homoserine lactone
Peak:m/z	Relative Intensity
51.95600	0.9
53.03942	1.4
55.01863	2.0
55.05497	2.7
55.93528	1.7
56.05029	3.5
56.96569	6.0
57.03427	3.1
57.06830	1.2
57.07081	16.7
58.06575	1.2
60.04522	1.0
61.02922	1.0
67.05498	2.0
67.99864	0.9
68.05017	2.2
69.03424	3.9
69.07067	1.8
70.02943	2.0
70.06590	6.3
71.01336	1.2
71.04967	1.1
71.14264	0.9
71.53934	1.1
72.04517	1.7
72.08157	7.1
72.93784	2.2
73.08458	1.4
74.09713	3.9
80.05006	2.2
81.03414	2.2
81.07041	1.3
82.06577	2.5
83.04980	0.9
84.04511	29.3
84.08147	17.5
84.96008	1.2
85.02911	50.0
85.06576	1.0
86.06062	1.9
86.09707	9.7
87.04465	3.2
87.05579	1.0
87.10036	2.2
90.94825	1.4
94.06564	1.5
95.01317	2.4
95.04975	1.5
96.04492	1.9
96.08100	0.9
97.02898	2.0
98.02428	1.0
98.06049	3.1
98.97580	1.5
99.04460	3.0
100.03976	1.6
100.07643	1.1
101.02481	1.0
102.05556	17.8
103.00581	1.2
103.53340	0.9
108.04489	1.7
110.06011	1.1
112.03948	2.2
112.07614	2.6
113.04725	1.4
113.10789	0.9
114.05532	24.7
114.06286	1.9
116.07077	1.9
121.00789	7.4
121.01675	7.2
121.71600	1.1
122.06013	1.3
126.05528	17.1
127.03162	1.3
127.03972	2.1
127.08645	1.0
129.10251	7.3
129.93988	1.0
130.05013	97.7
130.08647	2.6
131.97499	1.1
132.95885	1.6
138.05458	2.6
139.01814	14.2
139.02731	1.9
140.07079	7.1
140.10715	1.7
141.06575	1.1
141.10226	1.8
142.06555	1.1
144.03256	1.3
144.06572	2.9
144.95869	1.4
145.05013	1.5
147.94940	1.6
150.05504	1.2
158.06027	1.1
158.11758	3.0
163.01794	17.3
168.06557	2.5
168.10168	1.1
169.09753	1.3
173.00829	1.2
175.02948	1.0
175.04404	2.7
181.02884	32.9
184.05063	1.5
186.05817	3.1
186.07689	14.0
186.11267	100.0
186.18585	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0392
Annotation	Psoralen
Peak:m/z	Relative Intensity
53.03943	0.4
55.05521	0.9
56.05015	0.4
56.96564	0.7
57.03415	0.7
58.66710	0.4
58.99589	0.5
60.50881	0.4
61.26735	0.4
67.05507	0.9
69.03419	1.2
69.07078	5.4
70.06573	0.4
71.55831	0.7
72.08170	0.5
73.01135	1.6
73.02911	0.5
75.02699	1.2
75.54624	0.4
79.05479	0.6
81.03408	1.2
81.07069	0.7
83.01359	0.7
83.08614	1.3
84.08158	0.8
85.02903	1.0
88.02219	5.1
89.03925	0.6
91.05512	0.9
93.07057	0.7
95.01363	0.6
95.04971	1.3
95.08629	0.4
97.06536	1.7
99.02657	0.8
101.04253	0.8
103.02160	0.8
103.05471	1.1
105.07023	1.3
107.08597	1.5
107.74348	0.4
113.04229	1.1
115.05457	30.7
117.07026	0.9
119.08578	1.2
123.04450	0.7
123.08083	0.4
126.70826	0.5
127.03925	1.5
127.05822	0.6
129.03708	0.8
129.07002	0.9
131.04938	42.4
131.08575	1.9
132.05327	0.5
133.10124	0.4
136.06210	0.9
141.07332	0.8
143.04936	19.1
144.05678	0.4
145.10081	2.2
151.03912	0.4
157.06502	0.4
159.04445	3.2
159.06960	1.2
159.08081	1.4
159.11673	1.0
169.10211	0.4
172.05183	0.5
172.08824	0.7
173.00806	0.9
187.03920	100.0
187.11171	2.4
187.12674	0.9
187.14767	2.7
188.04228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	51.8
71.54693	38.2
73.86769	31.3
88.03991	40.6
90.32777	35.3
96.25607	32.6
96.28228	39.2
98.97591	51.9
101.00874	54.1
111.41367	35.8
113.00864	35.4
119.01900	100.0
120.02040	92.3
131.01912	51.1
137.03018	32.5
143.13640	37.1
185.02917	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	184.0969
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
53.03952	0.4
55.05513	0.8
56.96569	0.3
57.03438	0.7
58.02959	2.3
58.06610	0.4
60.04528	17.1
60.08176	0.4
67.05502	1.3
69.03426	0.5
69.07070	100.0
70.06589	1.1
70.07399	0.8
70.68516	0.5
71.04963	0.3
71.08637	2.5
72.08156	2.2
73.01150	0.6
73.02910	0.3
79.05489	0.7
80.04999	0.4
81.03452	0.3
81.07050	0.5
82.06591	0.5
84.04530	0.5
84.08178	0.7
85.02912	0.4
86.02431	15.7
86.06070	1.1
86.09708	3.1
87.04452	0.3
91.05489	0.6
93.07038	0.5
95.04964	0.7
95.08595	0.7
96.04501	1.4
96.05293	0.6
96.08146	0.9
97.02905	0.4
97.06534	5.6
98.97580	0.3
98.98463	0.4
99.04472	0.3
100.07609	0.8
101.00893	0.3
101.95014	0.9
104.10741	1.0
105.03387	0.5
106.03726	0.3
109.02890	0.3
110.06062	0.8
110.07204	0.4
110.09696	1.1
114.09206	0.3
119.01910	2.5
119.04993	0.4
119.96101	0.6
120.08157	0.4
124.04762	0.5
124.07563	0.5
124.08414	0.4
124.99983	0.7
129.06944	0.3
131.01945	0.4
136.06198	1.3
137.02965	0.6
137.97050	0.6
138.05481	0.5
138.08102	0.3
138.09132	6.8
138.12779	1.1
142.03497	0.4
145.03448	0.9
151.07526	0.4
156.10205	5.0
158.56569	0.3
163.55742	0.3
166.08644	2.4
172.56322	0.7
181.56870	0.9
183.39876	0.3
184.04205	0.6
184.07228	1.3
184.09700	28.1
184.16956	1.9
185.02835	0.5
194.31575	0.3
200.07588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05047	1.3
58.06613	0.9
58.60662	0.3
59.60385	0.3
60.08169	20.3
67.87489	0.3
70.06593	0.5
71.07378	11.6
71.29211	0.3
71.95290	0.4
80.71902	0.3
86.09712	100.0
87.10055	0.9
98.98473	16.9
99.01400	0.3
101.95039	6.8
104.10749	4.1
106.03737	0.3
113.42350	0.3
119.96088	2.7
124.07561	0.4
125.00014	81.4
137.97105	2.2
142.33884	0.3
143.01047	1.0
155.98195	0.3
160.98711	0.6
166.05765	0.3
184.07355	98.7
185.07668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.7
58.06607	0.7
59.07395	0.5
60.08168	16.8
65.74998	0.5
66.97518	0.4
67.57142	0.5
69.54968	1.2
69.55381	1.7
71.07381	9.7
78.96471	0.5
80.26934	0.4
83.08563	0.5
86.09713	100.0
87.10041	1.0
98.21471	1.0
98.98477	17.2
101.95044	6.6
104.10759	3.9
115.28815	0.5
119.96090	3.7
125.00015	78.6
131.80020	0.4
137.97118	2.7
142.97635	0.6
155.98175	0.6
159.06042	0.5
160.98726	0.9
184.07355	97.5
185.07730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05046	1.2
58.06612	0.8
60.08166	19.3
69.98394	1.1
69.98792	0.9
70.06567	0.5
71.07376	11.9
75.73833	0.5
86.09708	100.0
87.10041	0.9
98.98468	18.8
101.95032	5.3
102.51630	0.6
104.10738	4.9
105.85108	0.5
119.96048	3.1
125.00009	81.8
129.14912	0.5
137.97108	1.3
143.01044	0.7
149.74706	0.5
153.62927	0.5
184.07349	96.4
185.07571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	2.5
57.03426	0.7
61.01146	0.5
61.02916	0.6
66.43737	0.3
69.03435	0.5
70.28447	1.6
73.02907	0.9
82.99432	0.4
82.99861	2.4
84.00429	0.4
85.02946	0.7
86.09718	1.1
89.14569	0.4
97.02918	0.6
98.97581	2.0
101.00891	29.7
101.95036	0.9
102.00986	0.7
115.02413	0.6
116.98623	1.0
119.01935	100.0
120.02012	2.6
121.02410	0.6
123.65915	0.4
124.02473	1.7
131.01889	0.8
132.01990	0.4
133.01691	1.5
133.03485	1.0
136.07635	0.5
137.02977	24.1
138.05452	0.5
142.03517	20.2
143.01935	1.2
143.03630	0.8
156.03273	0.8
160.04581	4.7
161.01045	0.5
161.02983	11.8
161.04378	0.8
162.03157	0.8
166.05125	0.5
166.08659	1.0
167.34120	0.4
170.54941	0.4
179.02444	0.9
179.04018	10.2
181.04524	0.4
184.02898	0.5
184.04611	1.0
184.07314	0.5
184.09694	2.3
195.32047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.15311	0.3
56.05039	1.6
58.06609	0.9
59.07375	0.3
60.08169	18.9
66.01960	0.3
66.54997	0.3
71.06978	0.6
71.07377	12.6
74.17741	0.3
86.09712	100.0
87.10059	0.8
87.14552	0.4
98.98473	18.9
101.95044	1.4
102.09207	0.3
104.10762	4.3
119.96084	0.6
125.00012	81.0
143.01067	0.5
184.07353	91.2
185.07704	1.2
186.31152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50457	0.2
57.33168	0.2
69.50065	0.2
71.53865	0.2
82.99842	1.9
101.00885	26.8
101.95039	2.1
102.00967	0.7
119.01926	100.0
119.96064	1.0
120.01990	1.9
121.02350	0.6
124.02464	1.9
133.03488	0.9
137.02963	24.5
138.03047	0.6
139.03418	0.2
142.03505	21.1
143.01904	0.4
143.03645	1.0
156.05083	0.2
160.04575	4.8
161.02962	8.5
161.04887	0.4
162.03105	0.3
165.05110	0.3
179.04028	10.2
180.04247	0.3
183.06245	0.2
184.04584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43683	0.3
70.11933	1.3
82.01507	0.4
82.99844	2.5
101.00891	32.2
101.95030	0.5
102.00986	0.7
119.01931	100.0
120.01989	2.3
121.02335	0.3
124.02438	1.9
133.03502	1.3
137.02971	22.7
138.03038	0.5
142.03513	21.6
143.01897	0.5
143.03653	0.8
156.05084	0.5
160.04596	4.8
161.02974	9.6
161.04388	0.6
165.05023	0.5
177.00935	0.5
179.04028	10.3
184.04671	0.4
185.78140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0655
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
50.39608	0.1
51.02403	0.1
53.03956	0.5
55.05524	0.1
59.75504	0.1
67.05520	0.1
69.18636	0.1
69.87076	0.1
70.73295	0.3
70.99595	0.1
75.02364	0.2
75.02743	0.1
77.03946	0.3
79.05503	1.6
81.03449	0.2
81.07069	0.3
92.02645	0.2
94.04192	0.2
95.04976	0.7
98.98473	0.5
101.95045	0.3
105.03403	0.9
105.04509	0.2
107.01316	2.5
107.04960	1.2
109.06514	0.7
119.96102	0.2
120.02089	0.1
120.31744	0.1
122.03661	7.1
123.04399	0.1
125.06006	0.4
135.04456	1.1
135.05434	0.2
137.06038	0.4
137.09633	0.1
149.04182	0.1
150.03140	12.7
151.03500	0.1
165.05492	100.0
166.05849	1.3
168.04196	6.0
169.04491	0.1
183.02925	0.1
183.06544	0.7
183.08043	0.2
183.09489	0.1
183.11572	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	183.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01878	3.1
55.05516	2.1
55.76511	0.4
57.03438	1.8
57.07079	0.9
57.99569	0.5
58.99591	2.6
59.04999	1.5
59.96732	1.9
61.01158	11.8
62.99075	0.8
65.03952	0.9
65.66422	0.4
66.98573	1.2
67.05508	3.4
67.64798	0.5
69.03434	2.2
69.07079	2.6
70.06597	1.3
70.95901	0.4
70.99570	0.9
71.05014	1.5
71.55798	0.8
73.01147	100.0
74.01929	18.3
75.02711	7.4
78.96786	8.7
79.05499	2.9
80.94717	1.8
81.03451	0.8
81.07066	4.6
83.04990	1.0
83.08620	1.4
84.08171	0.8
85.02926	1.8
85.06542	0.7
86.09713	1.0
89.00629	8.7
91.00189	1.0
91.02186	4.8
91.05497	1.6
92.02956	1.1
92.94722	0.5
92.98327	0.8
93.03741	2.7
93.07060	1.9
95.04980	6.9
95.08613	6.1
97.06544	1.3
98.98482	6.0
99.04474	2.1
99.08095	0.7
103.05487	0.8
104.98328	28.2
105.03406	8.8
105.04529	0.5
105.07027	0.7
107.04919	0.6
107.08611	1.5
109.03283	2.3
109.06512	1.5
109.10157	3.5
110.03666	0.8
111.02644	0.5
111.04487	0.5
111.08069	0.5
113.05967	0.6
115.05521	0.6
118.99900	0.5
119.04993	0.7
119.08591	1.3
121.10175	1.3
122.99336	2.4
123.04446	3.7
123.08095	1.9
123.11717	1.6
125.00084	0.5
125.06006	4.9
125.09715	0.7
127.01559	1.0
127.07645	0.6
133.02930	0.9
137.06003	2.0
137.07954	1.3
137.09651	1.2
138.03156	0.8
138.09160	1.5
139.11206	1.4
140.04720	1.2
147.11679	0.5
150.06784	1.2
151.03917	0.5
153.05484	6.1
153.06813	0.8
155.07100	1.1
155.08633	1.4
165.04071	19.2
165.05492	2.0
165.09125	3.2
165.12822	0.8
166.08594	0.6
168.09402	1.0
183.05223	2.2
183.06569	1.1
183.08005	0.9
183.09296	3.3
183.11598	2.0
183.13741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05522	1.6
56.76875	0.5
58.99591	15.6
59.96735	1.2
61.01149	1.6
67.05526	0.4
69.22399	2.4
69.22820	1.7
70.99580	9.4
71.08670	0.4
72.00350	2.0
73.01147	55.8
75.02709	100.0
78.96780	9.1
78.97238	0.6
81.07067	0.9
85.01136	11.9
86.01929	0.5
89.00629	0.7
95.04988	1.8
95.08657	0.4
98.20686	1.0
98.98473	0.9
102.96767	2.4
103.97540	18.6
104.98312	1.9
105.03410	1.7
106.99883	0.9
116.98315	0.9
118.99875	53.9
123.04452	1.2
127.01559	0.4
134.99373	0.5
155.14325	0.4
165.05447	0.5
165.15079	0.4
165.99309	0.5
167.48653	0.4
168.09308	0.4
182.99698	12.8
183.08089	0.4
183.11630	1.0
187.90833	0.5
190.59842	0.4
199.85582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01921	0.4
58.99586	2.1
60.00367	0.4
62.99082	3.0
63.99849	0.8
65.00315	0.6
65.00643	6.7
68.24339	0.3
70.99585	8.4
71.00712	0.9
72.00363	3.6
73.01147	3.1
75.02709	100.0
76.03033	0.4
78.96783	5.7
85.01134	0.8
88.84473	0.3
90.71258	0.4
95.04947	0.9
95.08665	0.3
98.98487	1.2
103.97568	0.7
105.03407	1.2
110.99370	11.9
118.34310	0.3
118.99876	10.2
123.04420	0.4
143.75218	0.3
155.08607	0.4
165.05463	2.1
171.69093	0.3
172.34242	0.4
183.11679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01880	16.6
56.96331	2.1
56.96573	27.7
57.03189	3.0
57.03441	42.6
58.99855	3.4
61.02932	31.1
65.12046	1.8
68.98302	2.1
69.03077	2.8
69.03434	45.6
70.03768	2.1
70.99831	2.8
71.01343	4.4
71.04984	4.6
71.53745	3.3
71.95239	2.0
73.02924	73.1
74.61913	1.7
74.97617	2.1
75.04473	2.3
77.00917	3.6
81.01898	2.9
81.03420	14.9
82.02667	2.8
82.99844	4.2
83.04948	1.8
84.04520	2.7
84.08135	1.9
84.96015	4.2
85.02428	3.2
85.02914	58.7
86.03255	2.4
86.09703	4.0
87.01923	2.2
87.04466	3.6
88.02678	8.4
89.00909	2.3
91.03937	2.4
92.05807	2.5
93.01892	8.3
94.02666	6.9
96.02408	6.8
97.01392	2.1
97.02274	3.5
97.02895	49.6
98.03150	1.8
98.97594	21.1
98.98552	2.2
99.01970	2.9
99.04456	7.7
100.02637	8.1
100.97210	2.5
101.00889	62.9
101.01563	4.0
101.03485	2.3
102.00973	3.9
102.02411	17.4
102.52487	3.6
103.02461	3.0
103.03163	4.5
103.03845	2.1
104.01302	2.1
104.10775	14.5
106.02682	2.8
108.02430	10.0
109.02851	9.1
110.97566	7.6
111.02936	20.0
113.00884	24.6
113.01690	3.4
114.00955	2.6
114.02415	6.3
114.52629	1.9
115.02419	13.7
115.03188	7.9
115.03899	2.9
116.98621	7.2
117.02914	6.5
117.03815	1.9
118.03631	3.3
119.01930	100.0
120.02034	5.6
120.03399	2.3
120.05284	3.3
121.01637	2.2
121.03176	3.8
122.02173	3.3
123.02943	13.7
123.52918	2.4
124.04762	4.5
124.99975	3.5
126.02421	3.0
127.02416	7.5
127.03925	14.5
128.02333	1.8
128.98630	8.9
129.02969	13.4
129.03911	3.0
130.03694	4.1
130.52684	1.9
131.01913	55.7
131.02837	3.7
132.01981	8.8
132.03461	10.2
132.53455	2.4
133.03484	9.1
134.99648	4.3
135.02913	5.0
137.02975	18.1
137.07915	7.9
138.03444	16.5
138.09125	3.0
138.53549	2.9
139.02412	3.0
141.03957	4.2
142.03531	11.0
143.01910	64.8
144.02031	8.5
144.03461	6.7
144.53619	3.1
145.03456	30.1
146.03494	4.1
146.99637	5.2
147.01392	7.0
147.03981	6.2
147.05013	2.0
148.02083	1.9
148.04819	2.2
149.02972	7.1
150.03043	2.0
153.03937	5.4
155.01906	55.3
155.03705	3.7
156.02103	6.6
157.03476	20.8
158.97261	2.2
160.04564	6.0
161.01427	3.1
161.02969	64.2
162.03125	7.9
163.04521	3.6
166.08636	4.5
167.01947	17.5
168.02002	1.9
169.03535	3.2
171.05103	1.8
173.02985	73.2
174.03146	10.6
175.02985	1.9
175.04549	6.4
178.02509	2.2
179.04097	3.8
183.11414	2.1
184.04662	3.1
184.06114	3.4
184.07500	3.2
185.02985	55.5
185.14230	1.9
186.03178	6.9
187.04526	4.4
191.04002	7.4
197.03046	8.6
199.04521	2.6
200.98447	2.0
201.00633	3.0
203.04059	26.4
204.04161	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01878	3.1
55.05516	2.1
55.76511	0.4
57.03438	1.8
57.07079	0.9
57.99569	0.5
58.99591	2.6
59.04999	1.5
59.96732	1.9
61.01158	11.8
62.99075	0.8
65.03952	0.9
65.66422	0.4
66.98573	1.2
67.05508	3.4
67.64798	0.5
69.03434	2.2
69.07079	2.6
70.06597	1.3
70.95901	0.4
70.99570	0.9
71.05014	1.5
71.55798	0.8
73.01147	100.0
74.01929	18.3
75.02711	7.4
78.96786	8.7
79.05499	2.9
80.94717	1.8
81.03451	0.8
81.07066	4.6
83.04990	1.0
83.08620	1.4
84.08171	0.8
85.02926	1.8
85.06542	0.7
86.09713	1.0
89.00629	8.7
91.00189	1.0
91.02186	4.8
91.05497	1.6
92.02956	1.1
92.94722	0.5
92.98327	0.8
93.03741	2.7
93.07060	1.9
95.04980	6.9
95.08613	6.1
97.06544	1.3
98.98482	6.0
99.04474	2.1
99.08095	0.7
103.05487	0.8
104.98328	28.2
105.03406	8.8
105.04529	0.5
105.07027	0.7
107.04919	0.6
107.08611	1.5
109.03283	2.3
109.06512	1.5
109.10157	3.5
110.03666	0.8
111.02644	0.5
111.04487	0.5
111.08069	0.5
113.05967	0.6
115.05521	0.6
118.99900	0.5
119.04993	0.7
119.08591	1.3
121.10175	1.3
122.99336	2.4
123.04446	3.7
123.08095	1.9
123.11717	1.6
125.00084	0.5
125.06006	4.9
125.09715	0.7
127.01559	1.0
127.07645	0.6
133.02930	0.9
137.06003	2.0
137.07954	1.3
137.09651	1.2
138.03156	0.8
138.09160	1.5
139.11206	1.4
140.04720	1.2
147.11679	0.5
150.06784	1.2
151.03917	0.5
153.05484	6.1
153.06813	0.8
155.07100	1.1
155.08633	1.4
165.04071	19.2
165.05492	2.0
165.09125	3.2
165.12822	0.8
166.08594	0.6
168.09402	1.0
183.05223	2.2
183.06569	1.1
183.08005	0.9
183.09296	3.3
183.11598	2.0
183.13741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46391	0.3
58.02959	1.0
65.03944	7.8
67.05507	92.8
68.05811	0.5
69.03428	0.7
69.07070	35.4
69.91693	1.6
79.05487	0.6
81.03416	0.6
81.07070	1.1
82.02928	0.5
86.02434	3.3
86.06075	1.1
91.05482	1.2
93.07040	0.4
94.06577	0.5
95.04972	100.0
96.05302	0.8
96.14565	0.4
97.06534	0.8
98.06091	0.4
98.97598	0.5
108.08131	2.1
111.06796	0.3
113.06005	1.9
119.04956	0.5
123.04441	1.2
126.09136	0.4
136.03954	0.4
136.06633	0.6
136.07590	7.3
138.09129	0.8
154.05013	0.5
154.08641	6.9
164.07057	2.3
164.08302	0.7
165.05492	0.4
182.01018	0.5
182.04845	2.0
182.08125	18.3
183.08582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1542
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
51.12762	0.6
53.03930	0.9
55.01862	1.4
55.05513	7.7
56.05013	0.9
57.03436	1.5
57.07083	3.1
58.02966	29.2
67.05510	20.8
69.07075	59.2
69.22443	4.0
69.22868	2.6
70.06596	3.1
72.08150	0.8
74.06106	1.3
77.65573	0.6
79.05491	5.8
81.07062	16.7
83.04958	1.7
83.08629	6.3
84.08154	8.0
86.06073	0.9
91.05502	3.5
92.55333	0.6
93.07049	9.8
95.04974	2.2
95.08614	6.2
95.71210	0.6
97.06545	4.3
98.06048	2.2
98.09702	2.1
98.97595	0.9
100.07629	5.3
105.07038	12.8
107.08605	15.4
109.06517	2.0
109.10168	45.9
110.10475	0.7
112.07595	2.8
114.09177	14.2
119.08579	1.3
121.10152	1.1
123.11709	6.9
126.09165	13.1
126.12807	2.2
128.10739	1.1
133.10143	27.9
133.20827	0.6
135.11696	17.3
136.07581	0.9
136.12157	0.6
137.13298	0.6
138.12791	20.4
140.10710	1.2
140.14380	1.4
147.11699	4.2
151.11194	9.4
153.12772	12.3
154.15999	1.5
164.07156	0.7
164.14343	1.8
165.12814	2.9
182.15425	100.0
183.15744	1.7
194.92226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.19325	1.0
52.04836	0.9
53.03944	7.2
54.00462	1.0
55.01891	5.0
55.05523	5.4
56.96571	7.2
57.03439	1.9
57.07081	13.1
58.99585	1.0
59.04999	2.5
65.03938	6.0
67.05515	8.4
69.03433	5.5
69.07063	5.6
70.06599	1.3
70.25894	1.0
71.04990	1.7
71.12652	2.0
71.95239	1.5
73.01134	2.3
77.03913	1.5
78.04700	1.0
79.05497	19.7
81.03416	7.1
81.07062	25.0
82.04199	1.4
83.04989	41.4
84.04464	1.2
84.08128	3.5
85.02903	3.2
85.06557	1.8
89.00583	1.5
89.03917	1.6
91.02174	1.1
91.05482	36.4
92.06280	1.1
93.03410	2.8
93.06470	1.9
93.07049	37.6
95.04972	29.1
95.08620	7.6
97.01122	5.0
97.02824	1.1
97.06535	17.3
98.97588	35.8
99.04503	1.1
99.08082	2.7
103.05485	13.1
105.04494	1.9
105.07035	12.6
107.04982	6.7
107.08603	23.6
108.08129	2.1
109.04822	1.6
109.06504	4.1
109.10141	4.0
110.03664	2.1
110.07110	1.1
111.04465	5.8
113.04239	3.4
114.83637	0.9
115.03807	3.2
116.97305	1.9
116.98624	37.3
117.03386	1.3
117.07004	3.0
119.04920	6.6
119.08579	5.7
120.05704	3.5
120.08092	1.3
121.02809	1.3
121.06520	31.8
121.10150	30.6
122.06004	1.1
123.04472	4.9
123.08076	5.5
125.00581	4.1
125.05998	44.1
130.07777	3.3
131.04945	2.1
133.02859	3.4
133.10239	1.1
134.05980	1.2
134.98631	1.5
134.99664	31.2
135.04413	5.4
135.05524	3.2
135.08032	3.7
135.11703	12.4
136.03847	1.2
136.07567	3.7
137.05994	10.2
137.09601	4.2
138.06760	1.9
139.03885	3.4
139.07576	1.5
139.11154	1.7
140.00151	1.4
145.02818	1.9
145.10117	19.0
147.04361	2.0
148.05183	3.2
148.08749	1.2
149.05989	9.3
151.03903	3.2
151.07655	1.7
152.99876	9.3
153.05463	3.0
153.06613	1.0
153.09085	1.5
158.01270	3.1
163.03958	7.6
163.11188	100.0
164.11665	1.3
166.04947	1.4
166.06274	13.9
174.63234	1.0
180.99605	3.9
181.01192	1.6
181.04936	9.9
181.06380	3.4
181.08589	42.4
181.12215	37.2
184.03741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.98700	0.9
53.03941	3.5
55.01859	3.0
55.05519	4.5
56.96560	2.2
57.03434	1.8
57.07079	23.9
58.99586	9.1
59.05016	7.2
59.23016	0.7
61.01158	3.9
62.99076	5.0
65.03936	1.5
67.05494	2.6
69.03429	3.0
69.07075	4.1
71.04997	1.2
71.55807	1.2
73.01144	7.8
74.01930	7.5
77.03933	1.1
78.01723	0.9
79.05502	13.0
80.30480	0.8
81.03426	5.4
81.07069	9.9
82.23406	0.9
83.04987	48.4
83.08624	2.0
84.08114	1.1
85.02897	1.0
85.06500	1.0
86.99062	33.2
89.00610	1.6
90.01414	4.7
91.02169	2.5
91.05485	9.4
92.98341	6.4
93.07055	13.7
95.04975	18.9
95.08633	5.0
97.06543	26.0
98.97589	19.9
99.04462	0.9
102.96747	5.9
103.05463	2.5
104.98311	4.2
105.07049	8.6
107.01670	1.2
107.04948	3.3
107.08602	16.9
109.04786	0.9
109.06541	2.2
109.10156	1.2
111.04440	2.2
111.08128	1.4
116.98642	14.5
117.07053	2.4
119.08611	4.7
120.97803	5.3
121.06526	7.6
121.10162	21.5
123.08085	3.7
123.11696	1.1
125.00649	1.0
125.06004	68.9
130.07770	1.9
134.99655	8.8
135.04457	2.5
135.11699	8.6
136.07581	1.1
137.05986	2.2
137.09636	1.1
139.04054	1.0
139.07516	1.0
139.11214	1.9
143.08614	0.9
145.10143	14.1
149.05914	2.2
153.00072	1.2
158.01276	1.3
163.03889	3.5
163.11198	100.0
164.07060	1.1
164.11568	1.6
166.06273	1.3
166.07721	1.0
181.04974	3.4
181.06413	1.8
181.08685	4.9
181.12245	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	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01875	2.1
55.05519	2.4
56.96577	0.9
57.07077	22.6
59.05006	2.4
59.42101	0.7
67.05518	1.5
68.60609	0.8
69.03455	1.7
69.07063	4.0
71.05049	0.8
71.29726	1.2
79.05497	8.9
81.03443	5.6
81.07058	4.4
83.04988	48.1
91.05501	3.3
93.07045	7.1
95.04972	15.6
95.08594	0.9
97.06541	26.4
98.97594	9.2
105.07040	5.1
107.04958	2.3
107.08600	9.4
109.06538	1.1
116.97249	1.6
116.98633	6.3
117.07053	1.1
119.08602	2.9
121.06532	2.2
121.10152	12.9
123.08070	0.9
125.06002	62.5
126.06336	1.5
130.07806	2.7
133.17238	0.7
134.99651	4.2
135.08112	0.7
135.11688	5.7
142.38693	0.8
145.10146	11.0
158.01312	0.9
163.11194	100.0
164.11525	1.6
165.07024	2.0
166.07780	2.2
181.10158	3.6
181.12242	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	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03944	1.5
54.02961	0.9
55.01875	1.6
55.05505	3.3
56.96573	1.0
57.06827	1.7
57.07081	23.5
59.04992	2.2
67.05490	1.9
69.03417	1.6
69.07067	3.5
69.28616	9.1
79.05132	0.9
79.05508	8.9
81.03415	7.5
81.07053	4.8
83.04987	49.2
84.63148	0.9
85.06551	1.1
88.38758	1.1
91.05487	3.8
93.07067	7.7
95.04377	1.4
95.04975	17.0
95.08604	2.0
97.06541	26.5
98.97604	9.0
105.07024	5.5
107.04961	1.6
107.08593	10.1
113.96417	1.6
116.98638	6.3
117.07044	1.8
119.08569	4.6
121.06500	3.5
121.10158	10.6
123.08035	1.3
125.06006	68.4
126.06346	1.3
130.07756	1.3
134.99702	6.3
135.11725	7.6
135.28267	1.0
143.08586	1.3
145.10121	10.6
158.01242	1.3
163.11197	100.0
164.11552	1.3
165.06961	1.8
166.07790	2.8
181.10144	4.1
181.12254	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03963	1.3
55.01881	1.8
55.05521	2.2
56.96579	1.1
57.07081	24.7
58.69834	0.7
59.05010	3.0
67.05518	1.9
69.03466	1.4
69.07089	3.4
69.28186	5.0
69.28609	2.2
74.80198	0.9
79.05499	9.0
81.03419	5.5
81.07062	4.7
83.04988	46.1
91.05491	5.1
91.79955	0.7
93.07050	7.6
95.04980	15.2
97.06540	23.7
98.97599	6.6
99.05568	1.4
105.07037	5.3
107.04957	2.4
107.08601	10.4
107.12906	0.8
109.06533	1.0
112.81401	0.7
116.97270	0.9
116.98638	5.8
117.07047	2.7
119.08599	3.0
121.02356	0.8
121.06505	3.2
121.10155	13.0
125.06004	63.9
130.07826	1.2
134.99655	4.2
135.04465	0.9
135.08040	1.8
135.11690	6.7
140.00246	1.0
145.10138	10.7
148.08853	1.4
158.01219	0.9
158.45961	0.8
163.11200	100.0
164.11533	1.8
165.07025	0.9
166.07829	1.1
181.08711	1.1
181.10191	2.5
181.12247	31.2
182.12518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03936	2.7
55.01860	1.0
55.05513	36.5
56.85503	0.7
56.96555	2.2
57.03436	1.0
57.06825	1.3
57.07079	14.2
61.01158	0.9
65.03955	1.4
67.05161	1.2
67.05502	12.8
69.03418	3.2
69.07065	3.3
70.61295	2.2
71.04990	2.1
71.08621	0.8
71.28558	0.8
73.01139	1.8
75.32005	0.7
78.86021	0.8
79.05490	8.3
81.07058	10.2
83.04983	16.2
83.08605	1.6
83.98120	0.7
85.06546	4.6
91.05476	9.1
93.07042	21.0
95.04976	5.1
95.08606	14.8
97.02910	0.7
97.06535	11.1
98.33849	0.8
98.97585	15.4
104.98312	1.1
105.07036	8.2
107.04951	2.1
107.08599	30.3
108.88625	0.7
109.06504	6.4
109.10155	2.6
111.04443	100.0
111.08060	6.5
113.06003	5.5
116.97305	1.2
116.98625	14.0
117.07006	3.3
119.08610	3.1
121.06506	6.2
121.10162	5.2
122.07304	2.0
123.08089	2.0
125.05998	42.2
126.06321	0.8
127.07558	2.3
130.07774	2.7
134.99669	6.8
135.08063	20.2
135.11696	21.7
137.08553	0.9
137.09666	0.8
138.06714	1.2
139.07576	1.9
140.00055	1.2
145.10126	19.4
153.12706	3.6
158.01230	1.5
163.03908	1.6
163.11194	19.2
166.07860	1.4
181.04874	0.9
181.12234	21.2
181.15865	0.9
191.32442	0.9
192.76604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03953	2.2
55.01865	1.5
55.05516	38.9
56.96571	3.2
57.03435	1.6
57.07083	14.2
67.05510	11.9
69.03432	1.7
69.07078	4.5
69.76714	0.7
70.80295	2.1
71.01353	0.6
71.05000	1.1
73.01131	0.7
75.64055	0.6
79.05498	8.3
81.07065	10.3
81.07534	1.0
83.04985	18.3
83.05457	1.3
83.08617	1.3
85.06554	4.0
91.05491	10.4
93.07050	21.7
94.77697	0.6
95.04990	5.4
95.08617	17.5
97.06538	11.5
98.21519	0.6
98.97599	11.7
105.07038	8.4
106.97889	0.7
107.04999	1.1
107.08603	34.0
109.06506	6.0
109.10149	3.5
111.04449	100.0
111.08096	7.5
113.06023	4.8
115.05478	0.7
116.98653	6.9
117.07018	3.6
119.06074	0.7
119.08601	3.5
121.06504	4.9
121.10149	4.9
122.07311	2.5
123.08076	2.4
125.06001	42.2
125.09630	0.7
127.07561	3.8
130.07784	3.5
134.99657	2.7
135.08073	21.9
135.11702	23.1
136.12029	0.8
138.06772	2.5
139.07538	2.7
140.00186	0.8
143.08577	1.6
145.10133	19.1
146.73985	0.6
153.12741	4.6
158.01317	0.9
163.11186	17.9
181.12244	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.21661	0.4
53.03956	0.7
55.01874	0.5
55.05513	1.7
56.96565	1.1
57.07069	1.9
59.05011	3.2
67.05499	2.1
69.03421	2.0
69.07082	3.1
69.09379	0.4
70.09070	1.9
73.02895	0.5
79.05491	5.8
79.53642	0.4
81.07060	6.5
83.04971	0.8
83.08624	0.6
91.05486	3.1
93.07050	20.1
95.04984	0.8
95.08614	13.4
95.09231	0.8
97.06532	1.6
98.97590	10.2
105.07034	3.5
107.04958	1.1
107.08604	32.2
109.06491	0.7
109.10183	2.6
111.04425	0.9
111.08081	1.1
116.98631	6.7
117.07044	0.9
119.08588	3.6
121.06508	3.9
121.10146	16.4
123.08080	3.3
125.05985	3.5
128.53435	0.5
130.07799	0.6
134.99689	2.5
135.08084	0.9
135.11700	41.2
136.12057	0.5
137.13277	1.4
139.07545	6.9
140.00124	0.5
145.10124	10.8
153.12747	2.3
158.01221	0.7
159.12326	0.5
163.11189	27.8
181.12244	100.0
182.12593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.22603	1.2
53.03944	5.5
55.01857	4.5
55.05513	9.0
55.94595	1.0
56.96550	3.3
57.03423	3.3
57.07080	13.3
57.18230	0.9
59.05005	2.5
59.17308	1.1
61.01138	1.8
62.97747	1.0
65.03926	4.9
67.05498	11.0
69.03442	7.1
69.07046	4.4
69.72681	3.2
69.73090	2.5
71.04982	4.1
71.08627	1.7
72.93802	1.4
73.01160	1.4
75.02693	1.4
78.04694	1.2
79.05498	24.6
80.04991	1.5
80.76750	1.1
81.03412	3.6
81.07058	83.3
83.04987	63.4
83.08616	2.3
85.02900	1.3
85.06533	3.3
89.00609	1.5
91.05483	45.3
92.06282	1.3
93.06468	2.2
93.07047	41.3
95.04978	21.3
95.08604	13.8
97.01106	1.7
97.06535	7.1
98.97582	20.0
99.08100	9.1
103.05477	16.2
105.03404	1.9
105.04523	1.7
105.07037	22.6
106.04156	1.2
107.04948	8.0
107.08598	41.6
108.04459	1.2
108.08103	1.8
108.08839	1.3
109.06505	7.6
109.10162	12.1
110.03630	1.7
111.03738	1.2
111.04424	5.4
111.08078	4.4
113.96389	2.0
115.05485	1.1
116.98631	17.6
117.07024	7.6
119.04958	5.8
119.08578	12.2
120.05704	4.5
121.06516	31.1
121.10146	52.9
121.53593	1.2
122.10506	2.2
123.04404	4.8
123.08076	9.3
125.00578	2.2
125.05998	19.1
125.09550	2.4
129.07039	1.5
130.07805	5.9
130.17664	1.1
133.02835	1.5
133.06517	1.6
133.10121	2.8
134.99652	11.6
135.04413	2.4
135.08031	4.5
135.08968	1.2
135.10684	1.4
135.11697	22.4
136.05193	1.5
136.07571	3.1
137.05995	7.0
137.08632	1.9
137.09616	19.2
138.06705	2.1
139.07498	2.6
139.11203	2.8
143.08620	2.4
145.10120	38.2
147.04407	2.3
148.05176	4.4
148.08826	4.2
149.02238	1.5
149.05984	8.8
151.03909	4.8
153.00040	3.2
153.05502	1.6
153.09099	4.1
153.12788	1.4
161.09642	2.0
161.81236	1.0
163.03915	4.8
163.11192	100.0
164.06999	1.7
164.11584	2.3
166.06264	14.7
169.64503	1.0
176.33858	1.0
181.04976	3.9
181.08630	47.7
181.12231	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
53.03943	3.6
55.01877	3.8
55.05519	9.3
56.58371	1.1
56.96564	7.8
57.03429	3.3
57.07080	2.0
60.04529	3.4
65.03951	5.4
67.05508	9.9
68.05035	1.3
69.03433	3.7
69.07076	5.0
70.06572	2.0
71.01353	1.5
71.04992	1.9
71.23273	1.7
71.95284	2.0
72.08170	9.4
73.01150	3.9
73.08509	2.9
74.95989	1.2
77.03908	1.2
79.05498	13.8
81.03428	2.8
81.07053	4.8
83.04980	5.1
83.08611	2.7
84.04513	1.2
84.08151	22.4
85.02898	3.4
85.08477	5.0
86.09717	4.0
89.03917	18.2
91.02181	4.4
91.05482	14.2
93.07047	14.9
95.04973	10.8
95.08615	3.5
97.02895	5.1
97.06517	4.7
98.97596	48.5
99.04459	1.4
103.05477	4.9
105.04522	1.6
105.07049	3.7
106.31356	1.1
107.04951	13.2
107.08606	7.5
108.04485	1.8
108.08138	2.0
109.04816	3.9
109.06515	2.4
111.04467	6.2
111.08118	2.2
116.98628	44.7
117.03389	16.9
117.06999	1.8
119.04958	4.1
119.08563	2.9
121.02834	1.6
121.06519	13.5
121.10172	12.6
123.04453	3.0
123.08078	3.1
125.02370	1.2
125.06010	8.2
129.10263	4.4
130.10608	1.1
131.04883	1.2
134.99669	40.6
135.04425	46.3
135.06471	3.6
135.08078	5.0
135.11668	5.8
136.04774	1.4
136.07640	5.6
137.05991	4.1
139.03929	4.1
139.07578	2.4
139.11188	1.5
140.00194	2.0
142.82175	1.3
145.02858	21.8
145.03970	2.0
145.10158	3.6
147.11314	1.2
149.05956	6.1
151.03963	1.3
153.00772	6.6
153.05486	4.7
153.07248	2.6
153.09103	2.0
158.01283	3.2
158.99736	2.3
160.05676	1.3
163.03923	100.0
163.07526	2.9
163.11172	9.8
164.04358	1.7
164.07089	5.2
166.06277	3.3
177.00699	2.8
177.75716	1.2
181.01405	1.3
181.03275	1.8
181.04980	15.9
181.06477	5.3
181.08533	12.6
181.12193	10.6
181.15855	1.4
182.04517	1.4
182.08163	2.1
204.72012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03942	1.3
55.01863	1.3
55.05526	2.7
56.05040	0.6
56.96579	2.6
63.02366	0.5
65.03928	1.3
66.52615	0.4
67.05503	1.4
69.03425	1.3
69.07079	1.1
69.41292	3.7
70.06585	1.4
71.04981	0.7
71.95264	0.7
72.08157	2.6
73.01135	1.3
73.48808	0.5
78.79252	0.4
79.05499	6.3
80.05000	0.6
81.03433	0.8
81.07053	1.8
82.74607	0.4
83.04964	1.3
83.08623	0.9
84.04516	1.1
84.08155	6.3
85.02890	0.8
85.06566	0.5
85.08472	1.7
86.09721	1.1
87.10015	0.5
89.03923	17.4
91.02179	0.7
91.05484	5.1
93.03402	0.9
93.07060	3.2
94.06543	0.5
95.04988	4.0
95.08613	1.0
97.02902	1.7
97.06536	1.3
98.97593	14.0
101.10756	0.5
103.05502	0.8
105.06995	1.0
107.04968	8.7
107.08584	1.6
108.08173	0.4
109.04818	0.9
109.06518	0.8
110.07194	0.6
111.04452	3.5
111.08100	0.6
116.98633	15.6
117.03392	19.2
117.04246	0.9
117.07099	0.5
118.03635	0.5
119.04935	1.2
121.02885	0.7
121.06517	2.9
121.10175	3.3
123.04442	0.7
123.08102	0.9
125.05987	2.0
129.10252	0.9
134.99672	13.7
135.04431	44.6
135.08060	1.8
135.11702	1.3
136.07550	2.1
137.05971	1.7
139.03925	2.9
139.07578	0.6
144.94476	0.5
145.02861	23.8
145.10115	0.5
149.02333	0.5
149.05908	0.7
150.12970	0.4
153.00713	2.2
153.05486	1.0
153.07303	0.7
158.01266	1.2
158.26274	0.4
163.03922	100.0
163.11162	2.9
164.04247	1.6
164.07042	1.1
166.06300	0.5
180.99588	0.8
181.04965	3.0
181.06467	1.3
181.08435	3.0
181.12193	2.4
181.15909	0.8
182.04536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.05497	1.3
56.05029	1.0
56.96571	13.3
57.03451	1.2
59.96737	1.7
62.99079	1.7
65.03934	1.4
67.05519	2.2
68.66763	0.9
69.03436	1.1
69.05848	0.8
69.88927	1.9
69.89344	3.8
70.06591	3.1
71.95268	2.7
72.08161	1.1
73.01148	54.5
79.05499	3.1
81.07058	2.2
84.08147	3.1
85.02939	1.2
88.04022	1.1
89.03909	1.7
91.02188	100.0
91.05484	5.5
92.02527	1.0
93.07051	3.1
95.04980	2.4
97.02900	1.7
97.06577	1.2
98.97594	85.8
103.05495	1.7
107.04959	1.3
107.08584	1.3
108.04507	1.0
108.08094	1.2
109.04831	1.1
111.04430	1.0
112.55769	11.0
113.05904	1.9
116.98634	72.5
117.03403	1.2
119.04945	3.6
121.06532	3.0
121.10138	1.9
122.03616	1.0
125.06033	1.6
126.55474	2.8
134.99667	35.1
135.04453	3.3
135.06836	13.1
135.07964	1.7
135.11708	1.7
136.07617	1.5
137.06003	12.2
138.98866	7.1
139.03893	1.2
140.00227	1.7
145.02892	2.2
151.07597	2.4
153.00710	3.1
153.05476	1.4
158.01242	3.0
158.99728	1.0
163.03911	8.7
163.07506	1.1
163.11243	1.6
177.00648	1.3
181.03531	7.7
181.04987	3.2
181.06462	2.9
181.08496	1.8
181.10632	1.9
181.12157	1.6
182.04437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1021
Annotation	N-Methyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.03970	1.4
54.03493	0.7
55.01883	0.7
55.05527	0.8
56.05042	0.4
56.96584	0.8
57.03448	0.4
65.03959	1.2
67.05530	1.3
68.05045	0.5
69.03448	1.0
69.07093	1.2
70.06627	0.5
71.54966	0.5
72.08173	1.1
76.02248	0.4
77.02563	0.3
79.05499	5.1
80.05012	1.7
81.07062	1.7
84.08163	2.0
85.02930	1.1
86.09734	0.6
88.04003	1.9
91.05489	12.5
92.05026	4.0
92.05816	0.6
93.05811	1.2
93.07053	12.6
94.06551	2.1
95.04967	3.0
95.08645	0.6
97.02922	1.3
97.06529	0.3
98.97571	1.8
103.05475	4.2
105.07033	2.5
106.06565	5.5
106.07268	0.6
107.08598	19.9
108.04495	5.5
108.05163	0.6
109.02874	0.4
109.06516	0.8
110.06068	0.4
111.04472	1.2
112.05244	0.7
115.05460	3.4
116.98642	1.4
117.07025	18.6
118.06561	1.6
118.07304	0.5
119.04962	1.3
119.07339	8.9
120.05754	1.1
120.08121	14.9
121.06514	6.5
121.10143	0.9
122.10538	0.6
123.04465	0.8
124.05194	1.0
124.07607	1.3
125.05986	0.7
132.08115	4.6
133.02852	0.8
134.06029	4.1
134.09656	24.7
134.99670	1.2
135.04422	0.7
135.08122	0.5
135.11719	0.6
136.07585	0.5
137.06000	2.5
138.05551	0.5
138.06703	0.7
145.10136	0.5
147.04413	0.7
148.05084	0.7
149.05994	1.4
151.03922	0.9
151.07565	0.4
152.07214	2.8
152.10713	100.0
153.07091	0.4
153.11058	2.2
161.82065	0.4
162.05511	1.8
162.09105	0.9
163.03905	0.4
163.11140	0.9
166.06288	3.9
167.23849	0.3
173.06644	0.5
175.12137	0.5
180.06656	4.4
180.10193	48.1
181.04979	0.8
181.08615	10.0
181.10425	1.1
181.12083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1433
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03931	4.3
53.50763	1.9
55.01873	9.5
55.05523	15.1
56.60253	1.5
57.03426	6.6
57.07065	3.3
58.99590	18.9
59.04990	4.8
61.01159	32.7
65.03929	2.5
67.05177	3.0
67.05512	46.8
69.03428	4.8
69.07076	15.5
69.50018	2.5
69.50417	9.4
70.99593	3.9
71.04980	5.0
73.01147	40.4
75.02702	2.7
76.01895	1.8
76.02235	22.5
78.96734	2.5
79.05062	2.8
79.05499	37.5
81.07064	94.2
83.04988	9.9
83.08616	5.5
84.08123	1.7
85.01122	2.3
85.02892	2.0
85.06548	8.1
87.02660	4.4
88.04006	2.3
89.00607	7.2
89.02380	5.8
91.02171	6.7
91.05486	50.9
91.48872	1.5
93.07053	43.0
95.04974	12.5
95.08614	74.9
97.06540	20.2
98.21503	3.0
99.02683	6.6
99.08086	7.2
101.04279	1.7
102.96747	3.0
103.05457	2.3
104.98325	100.0
105.03686	5.2
105.04462	1.6
105.07039	49.7
107.08615	20.2
108.04485	2.0
109.06506	13.3
109.10152	12.7
111.08063	2.7
112.03447	3.5
113.04256	8.1
114.05030	2.5
115.05762	7.2
116.01690	5.6
116.98309	27.0
117.07004	3.1
118.99864	2.9
119.04955	17.9
119.08590	56.0
119.09460	2.7
121.06525	8.8
121.10146	22.2
123.04453	8.5
123.08070	17.0
123.11687	3.8
131.08521	2.5
133.02977	3.2
133.06473	5.0
133.10138	49.4
134.06004	2.4
135.11699	36.8
137.05965	6.5
137.09656	8.8
137.13263	3.5
145.01395	4.0
146.02199	10.0
146.03200	1.8
147.03389	3.1
147.04434	21.7
149.05951	2.4
151.03888	4.9
151.07544	5.7
151.11180	4.8
152.07024	2.2
161.05986	5.8
161.09662	6.3
161.13266	81.8
164.04768	2.1
178.07822	1.9
179.00232	3.6
179.03413	20.1
179.06924	17.4
179.08652	4.3
179.10739	16.4
179.14320	90.9
180.14687	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	179.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91508	1.4
53.03939	3.8
55.01876	7.5
55.05511	11.7
57.03444	10.4
57.07066	2.3
58.99332	1.5
58.99591	21.1
59.04983	4.2
59.96727	1.5
61.00838	1.8
61.01154	37.3
65.03917	5.3
67.05508	42.3
69.03419	2.2
69.07068	14.8
70.99560	3.9
71.01363	1.6
71.04999	6.7
71.54668	1.5
73.00733	1.6
73.01143	30.6
75.02689	3.4
76.02234	14.0
78.96775	2.3
79.05494	31.8
81.03411	1.5
81.07062	96.6
81.46288	1.3
83.04996	10.3
83.08615	4.8
84.08121	1.4
85.01133	3.0
85.06555	8.1
87.02690	3.0
89.00629	7.7
89.02406	3.7
89.03910	2.6
91.02170	5.6
91.05487	49.3
93.07056	45.0
95.04981	12.5
95.08613	74.1
97.06524	22.0
98.98441	1.8
99.02671	7.7
99.08089	7.5
101.04210	1.9
102.96757	2.1
103.05476	2.8
103.97553	1.3
104.98322	97.1
105.03764	2.9
105.04447	1.4
105.07040	44.0
106.06564	2.1
106.07306	1.5
107.04932	1.6
107.08601	22.1
108.04475	2.4
109.02865	1.5
109.06516	7.9
109.10158	12.2
111.02612	1.5
111.08078	5.9
112.03463	3.5
113.04232	9.1
114.05006	4.9
115.05820	7.8
116.01701	3.2
116.98316	29.5
117.06997	3.3
118.99863	2.4
119.04953	11.3
119.08585	64.4
121.06540	8.5
121.10152	21.3
123.04426	4.4
123.08088	15.2
123.11695	3.4
131.08594	2.6
133.02934	3.1
133.06483	3.7
133.10141	41.9
135.08076	1.7
135.11700	35.6
136.05197	2.4
136.95587	2.0
137.02386	1.5
137.06006	7.1
137.09618	9.5
137.13248	2.4
145.01411	3.9
146.02185	9.3
147.03355	1.9
147.04424	17.4
151.03911	3.3
151.07542	3.5
151.11160	3.3
161.05986	4.6
161.09604	4.1
161.13269	86.2
162.09160	1.7
162.13571	2.9
178.98175	1.9
179.00206	4.2
179.03384	16.3
179.06958	15.4
179.08609	5.4
179.10704	11.9
179.14314	100.0
180.14650	2.7
183.32944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.72394	0.4
53.03949	1.1
53.50009	0.3
55.01856	0.7
55.05515	3.5
57.03439	1.2
57.07072	2.0
58.99590	0.7
59.05004	0.3
61.01164	0.6
65.03949	1.0
67.05511	7.5
69.03432	1.5
69.07076	4.8
69.94810	0.6
69.95235	1.3
71.04996	3.1
71.08643	0.5
73.01141	1.3
76.02224	1.6
78.04709	0.7
79.05498	7.7
80.06286	0.5
81.07060	6.0
83.04994	1.9
83.08620	1.9
85.06563	1.4
89.00617	0.7
89.02442	0.4
91.02174	1.0
91.05490	11.5
93.07050	18.2
95.04975	8.5
95.08614	14.3
97.06558	0.6
103.05485	1.3
104.98373	0.7
105.07040	15.1
106.07817	0.9
107.04959	0.7
107.08608	6.1
108.04498	0.5
108.05778	0.5
109.06531	5.8
109.10165	10.9
111.08128	0.7
112.05269	0.7
113.04206	0.4
117.07011	0.6
118.08914	0.4
119.04945	2.8
119.08591	15.1
121.02877	1.1
121.06565	1.2
121.10152	100.0
122.10480	1.7
123.04432	0.8
123.08076	15.1
123.11723	1.9
124.08860	2.7
131.08632	0.7
133.06479	0.4
133.07591	0.5
133.10143	6.9
135.11723	4.4
136.05226	2.3
137.05952	1.1
137.09622	6.9
137.13240	2.8
146.10851	0.4
147.03395	0.4
147.04419	1.6
151.03943	0.5
151.07553	3.2
151.11229	2.0
151.14836	1.8
161.05981	0.8
161.08020	0.4
161.09637	1.3
161.13271	20.1
179.02032	0.5
179.03374	1.7
179.07144	2.5
179.10742	2.9
179.14322	20.6
195.71254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	2.9
55.01877	6.8
55.05514	18.1
57.03439	6.5
57.07077	11.9
58.06623	1.1
58.99581	5.2
59.04990	3.6
61.01163	2.1
61.43578	1.1
65.03935	3.3
67.05506	36.9
69.03424	9.6
69.06724	1.7
69.07075	26.6
69.44459	8.5
71.04999	5.8
71.08627	4.8
73.01140	9.7
75.02705	5.6
76.02228	6.7
77.03910	2.5
79.05486	12.5
81.03394	2.2
81.07063	29.9
81.48948	1.1
83.04989	39.5
83.08614	6.8
84.08128	2.2
85.02911	3.6
85.04040	6.8
85.06554	7.1
86.99052	2.3
89.00612	4.5
89.02402	3.6
91.02175	4.8
91.05486	27.0
93.07051	24.1
94.01295	1.4
94.06580	1.4
95.04982	22.0
95.08613	100.0
97.06511	2.1
97.10155	3.1
103.05457	2.5
105.07037	34.3
106.08914	1.3
107.08599	35.8
108.04492	3.6
108.33353	1.0
109.02865	4.7
109.06530	23.7
109.10164	49.2
111.04462	2.2
111.08093	3.7
112.05196	1.5
113.04208	2.8
115.05437	1.5
116.01677	2.3
116.98341	1.8
117.05698	1.3
117.06947	2.4
118.03700	1.6
118.07693	1.2
119.04060	2.4
119.04943	11.8
119.08590	31.7
120.08075	1.1
120.97762	1.3
121.06509	6.2
121.10159	45.2
121.11034	2.5
123.04453	13.9
123.08078	49.4
123.11684	8.6
131.08557	2.8
133.02922	3.4
133.06485	4.0
133.10143	31.0
134.05981	1.5
135.04416	1.9
135.08102	2.2
135.11707	19.0
136.05135	1.9
136.08752	1.2
136.95514	1.4
137.06020	7.6
137.09637	22.7
137.13290	9.3
143.08522	1.4
146.02170	4.6
146.07288	1.8
147.03409	2.5
147.04443	13.9
150.03699	3.7
151.03925	3.5
151.07581	3.4
151.11142	4.6
151.14822	35.9
151.94106	2.0
152.07112	2.5
161.06000	6.6
161.09645	12.6
161.13258	24.8
179.00134	3.2
179.03398	14.8
179.06898	9.4
179.09081	2.2
179.10689	33.7
179.14313	88.2
180.14751	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.77483	1.1
53.03951	4.3
55.01864	3.4
55.05513	47.8
57.03440	5.8
57.07069	2.0
58.99587	29.5
59.04986	3.7
59.96727	1.9
61.01152	33.6
65.03932	3.1
67.05508	39.4
69.03417	2.1
69.06731	1.0
69.07073	14.5
69.30470	3.3
69.30898	5.0
70.99578	5.1
71.04989	2.6
72.00353	1.6
73.01146	58.5
75.02691	2.5
76.02236	2.1
78.73150	0.8
78.96771	2.8
79.05495	40.5
80.06257	3.4
81.07060	100.0
82.07392	1.4
82.07834	3.2
83.04984	6.8
83.08138	2.0
83.08620	30.7
85.00635	1.5
85.01133	16.4
85.06544	5.4
86.99051	1.5
87.02704	6.5
89.02378	1.0
91.04906	1.3
91.05480	25.6
92.02103	0.8
92.98346	1.2
93.07047	30.0
95.04968	6.4
95.08609	59.1
97.01114	5.0
97.06537	12.7
98.98463	1.0
99.02684	69.7
99.08092	7.0
101.04224	5.2
102.96761	3.2
103.97531	3.3
104.98322	81.0
105.03783	6.2
105.04374	1.2
105.07037	30.7
107.08595	16.4
108.92404	17.5
109.06526	5.3
109.10151	6.7
111.02678	8.0
111.08080	4.9
112.03450	19.8
113.04237	59.2
114.05022	33.1
115.03808	1.6
115.05805	34.7
116.98306	20.2
117.07004	1.9
118.01987	0.9
118.99876	30.5
119.04951	3.0
119.08585	41.8
121.10149	12.5
123.04407	2.1
123.08098	6.7
123.11710	1.5
129.99097	1.7
130.99858	2.7
133.01430	5.0
133.06526	1.2
133.10135	26.1
135.11707	23.6
136.95497	4.6
137.05998	1.0
137.09590	1.9
145.01418	27.7
146.02190	21.0
146.03352	1.0
147.04420	3.8
151.03879	2.1
151.11203	1.7
161.05969	1.6
161.13264	65.4
164.04189	1.1
179.00192	31.1
179.03397	7.3
179.06511	4.8
179.08580	1.2
179.10744	3.3
179.14323	78.5
180.14671	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03947	6.1
55.01877	14.4
55.05515	9.5
57.03435	1.1
57.98817	0.9
58.99589	18.4
59.05003	2.2
59.96730	1.8
61.01155	30.6
65.03943	4.9
67.05515	8.8
68.99793	2.7
69.03432	1.4
69.07072	2.2
69.22720	2.7
69.23135	7.7
70.99586	2.4
71.02074	0.9
71.04981	1.2
72.00354	1.8
73.01143	30.0
73.01527	2.0
75.02722	3.1
76.02232	9.7
77.03938	1.4
78.04728	4.0
78.96785	1.3
79.05499	11.7
80.06280	2.0
81.03423	1.9
81.07066	15.6
83.01351	1.4
83.04993	1.5
83.08638	6.1
84.08167	2.2
85.01141	3.0
86.99062	2.2
87.02711	3.0
89.00631	4.0
89.02384	1.1
89.03913	1.7
90.04771	0.9
91.02184	3.9
91.05486	69.2
91.83645	0.9
93.07053	16.1
95.04974	18.3
95.08608	8.5
98.98462	1.1
99.02688	8.6
101.04255	1.4
102.96773	3.9
103.05477	12.6
103.97571	1.6
104.98322	94.5
105.03809	2.7
105.04552	2.6
105.07034	17.9
106.04185	5.3
107.04978	2.7
107.08627	4.8
108.04508	1.8
108.05764	1.5
109.02882	2.7
109.06532	4.9
109.10174	3.3
111.02688	1.7
112.03455	5.5
113.04239	11.3
114.05025	4.0
115.05827	10.4
116.01680	1.3
116.98306	21.3
117.03331	1.9
117.07018	1.1
118.04173	2.2
118.99859	6.0
119.04945	38.4
119.08572	6.4
120.97822	1.2
121.06515	65.6
121.10118	5.4
123.04430	8.4
123.08083	5.3
123.11769	1.4
131.08627	1.2
133.01445	1.4
133.03008	3.6
133.06499	9.0
133.08450	1.5
133.10141	12.0
134.03629	7.3
135.04443	3.3
135.08026	1.4
135.11688	2.5
136.02162	1.6
136.05220	7.1
137.05954	7.2
137.09669	4.1
137.13271	1.4
143.08582	1.1
145.01462	5.1
146.02226	8.9
146.03673	4.6
147.03403	1.5
147.04424	40.8
149.05997	11.6
151.03923	8.1
151.07571	4.1
151.11162	2.5
152.07143	1.2
161.05989	16.1
161.07245	1.2
161.09627	6.7
161.13248	5.0
164.04749	9.0
167.07091	2.3
179.00264	5.8
179.03488	17.2
179.07079	100.0
179.08710	5.7
179.10455	11.3
179.14278	7.4
180.07742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
54.03694	1.4
55.01865	3.2
55.05262	2.0
55.05513	26.5
57.03427	4.4
58.99592	19.3
59.05006	12.0
61.01157	23.9
65.03956	2.3
67.05508	13.8
69.07076	5.6
70.99567	3.9
71.55709	2.9
73.01147	100.0
75.02705	2.5
76.02235	2.7
78.96771	9.6
79.05498	16.7
80.06297	1.6
81.07064	33.4
82.07836	3.0
83.04977	2.4
83.08632	15.7
84.52377	1.3
85.01124	10.0
86.99076	2.3
87.02695	4.9
89.00623	3.5
89.02411	2.9
91.02169	1.8
91.05477	6.8
91.75134	1.3
93.07027	4.8
95.04958	3.2
95.08598	13.5
95.37208	1.5
97.06554	3.5
99.02059	2.7
99.02686	37.2
101.04259	3.5
102.96773	1.9
103.97579	2.2
104.98325	62.5
105.03738	26.6
105.07036	8.7
107.08598	3.9
108.92376	5.0
109.10121	2.4
111.02670	4.9
111.08042	2.0
112.03444	12.7
113.04237	37.3
114.05025	22.0
115.03774	2.2
115.05804	27.5
116.98306	20.2
118.99879	19.5
119.04958	4.3
119.08599	5.5
123.04430	2.9
130.99835	2.7
133.01448	2.3
133.02913	2.6
133.06468	2.8
133.10143	7.8
135.11707	2.2
136.95509	5.7
145.01416	17.9
146.02214	15.9
147.04440	7.6
161.05954	2.3
161.09651	1.8
161.13280	8.9
179.00198	25.0
179.03423	9.3
179.06482	7.1
179.10672	6.2
179.14345	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	179.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
56.96583	4.8
58.06599	0.9
58.99592	5.1
59.96721	4.6
61.01155	37.3
61.02926	1.3
62.99070	4.1
67.05507	1.2
70.06586	2.2
70.50342	3.5
70.99535	1.3
71.01359	18.4
72.00340	1.2
72.08159	1.2
73.01150	74.7
81.42245	1.0
84.08154	5.5
85.01141	1.3
87.02703	21.2
88.04004	2.8
89.00626	100.0
89.02400	63.0
90.01400	8.0
91.02188	51.4
92.07877	1.3
98.97598	5.5
99.02685	1.5
100.02466	2.7
101.00886	1.2
102.44082	1.2
105.03737	1.2
110.07162	1.3
115.02229	3.5
116.98645	2.9
119.01956	5.9
119.04901	1.3
124.16120	1.0
124.96011	1.2
126.06971	1.2
133.01669	2.3
133.03201	36.8
137.02972	1.1
147.04445	2.5
152.07042	1.3
156.05092	2.3
161.02753	3.9
179.03766	10.3
180.08762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05515	58.4
58.99589	31.7
61.01153	45.2
61.77768	1.7
65.03939	2.5
67.05520	10.6
69.07069	7.6
69.98210	6.3
70.99573	5.1
73.01144	52.6
75.02695	2.3
79.05497	25.5
80.06273	5.8
81.07063	40.9
82.07832	2.9
83.08621	40.9
83.09113	2.8
85.01132	22.8
87.02687	8.1
91.05496	2.4
92.98312	1.9
95.08630	2.6
97.01141	5.0
98.21405	1.9
99.02683	100.0
100.03057	2.3
101.04256	6.1
102.96773	3.0
103.97536	3.6
104.98321	86.0
105.07068	2.0
108.92401	29.5
111.02692	10.5
111.81720	1.5
112.03458	25.5
113.04237	83.8
114.05017	47.6
115.05805	46.7
115.06609	2.4
116.98315	22.4
118.99868	45.2
119.08626	1.8
128.45871	1.6
130.99864	5.1
133.01433	7.0
136.95485	4.4
142.60231	1.7
145.01408	33.9
146.02203	27.0
147.04456	2.7
151.03857	2.1
164.04076	2.4
179.00191	39.8
179.03484	2.8
179.06438	2.9
179.08516	1.7
179.10611	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	179.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11554	1.2
50.47655	1.2
53.03933	3.5
56.96558	3.8
58.99585	3.2
59.96725	3.5
60.95837	1.3
61.01152	34.6
62.99066	2.9
67.58175	1.1
70.06577	2.3
70.21970	3.8
71.01359	18.5
72.00341	2.2
73.01144	67.8
83.04990	1.3
83.22502	1.1
84.08144	6.0
85.01131	3.2
87.02695	20.9
88.03951	2.4
89.00619	100.0
89.02395	58.6
90.01412	8.0
91.02182	53.6
91.05492	1.5
92.07881	1.5
97.01083	1.4
98.97584	4.6
99.02656	1.4
100.02502	1.8
101.00851	1.6
105.03725	1.3
115.02182	2.7
118.25362	1.2
119.01925	4.7
119.04953	2.1
128.98610	1.5
132.97966	1.2
133.01682	1.9
133.03186	39.1
147.04362	2.4
151.06108	1.5
156.05023	1.6
161.02739	5.1
179.03755	8.1
179.08273	2.2
180.08815	2.0
196.99603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01863	1.6
55.05515	60.9
57.00899	0.9
57.03469	0.9
58.99292	1.6
58.99591	34.1
61.01156	49.5
63.59420	0.8
65.03948	4.5
67.05508	14.2
69.03400	0.9
69.07076	7.0
69.96947	1.9
69.97337	2.2
70.99596	4.9
72.00356	2.5
73.01147	53.0
75.02696	2.3
76.02232	7.2
79.05060	1.9
79.05498	27.3
79.10889	1.0
80.05850	1.2
80.06271	4.7
81.07063	49.1
82.07837	3.4
83.08625	39.1
84.82191	1.0
85.01131	25.1
87.02693	8.4
89.00613	1.4
89.02455	1.5
91.02164	1.5
91.05502	5.1
92.98320	2.1
93.07066	5.3
95.04968	4.4
95.08605	8.8
97.01133	4.8
97.06548	2.6
98.01924	1.7
99.02686	100.0
99.08099	1.5
101.04230	5.7
102.96754	3.7
103.97534	3.7
104.98324	94.5
105.07043	5.6
107.08593	1.6
107.70177	1.1
108.92397	26.6
109.06491	1.5
111.02695	8.9
112.03455	25.8
112.04192	1.9
113.04241	81.3
114.05019	49.4
115.05807	43.0
115.06626	1.7
116.01711	1.4
116.98317	22.1
117.99078	1.5
118.99876	45.9
119.04930	2.3
119.08582	5.6
121.06502	1.3
121.10138	2.0
123.04422	2.7
123.08069	1.4
129.99060	1.7
130.99889	6.0
133.01431	4.4
133.10158	5.2
135.11722	2.7
136.95549	5.2
145.01422	34.9
146.02202	26.0
147.04404	2.4
151.03911	4.7
161.06038	1.3
161.13287	8.3
175.46460	0.9
179.00201	39.5
179.03421	5.0
179.06863	2.3
179.07123	1.7
179.10706	2.1
179.14317	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	179.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01861	0.9
55.05511	57.4
58.99586	31.4
59.96707	0.9
61.00680	1.0
61.01151	45.3
65.03928	3.3
67.05502	9.7
69.07068	6.9
70.99577	6.7
72.00349	3.1
73.01143	53.5
75.02691	2.8
75.35574	0.8
76.02223	5.4
78.96770	1.1
79.05061	1.4
79.05494	22.2
80.06261	3.6
81.06575	1.7
81.07058	37.2
82.07829	4.0
83.08620	39.4
85.00639	1.6
85.01128	23.8
87.02692	8.3
91.05469	3.1
92.98322	2.1
95.04982	1.6
95.08584	1.2
97.01096	3.9
98.01886	1.8
98.21517	2.0
99.02679	100.0
101.04242	5.0
102.96758	3.6
103.97533	4.4
104.98315	91.2
105.03723	1.8
105.07029	2.5
108.92385	32.8
111.02673	9.6
112.03451	26.1
113.04234	84.6
114.05018	47.2
114.05690	0.6
115.05796	45.1
116.01658	2.5
116.98303	18.9
118.99867	53.0
119.04948	2.1
123.04438	0.9
130.99863	5.4
133.01390	4.7
133.06599	1.1
133.10156	1.7
136.95511	4.8
145.01416	33.0
146.01120	1.5
146.02196	22.9
147.04375	2.1
151.03911	0.9
161.09648	1.0
179.00175	36.9
179.03395	4.6
179.07106	1.2
179.10603	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	179.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05515	49.0
57.61499	1.7
58.99596	26.1
59.05022	1.6
61.01158	10.1
62.84242	1.5
65.03938	1.6
67.05510	11.2
69.07070	3.1
70.06062	3.0
70.06474	5.8
70.18386	1.6
70.99582	2.1
73.01145	24.8
79.05501	24.4
80.06254	3.3
81.07065	37.3
82.07835	5.7
83.08624	36.1
85.01131	18.3
87.02692	12.6
91.05468	2.0
95.04981	1.9
97.01122	3.3
99.02683	64.7
101.04240	3.7
101.24635	1.8
103.97537	3.0
104.98335	20.9
105.07003	1.6
111.02706	9.1
111.03339	1.5
112.03467	20.2
112.06728	1.5
113.04237	100.0
114.05031	34.5
115.03802	9.5
115.05801	54.0
115.06618	2.1
116.98304	15.9
118.99882	34.1
123.04432	3.3
127.95802	1.8
130.99863	6.9
133.01396	4.1
136.95520	6.3
145.01424	29.0
146.02208	28.9
147.04456	1.7
165.35898	1.5
179.00208	75.3
179.03444	4.9
179.06448	3.9
179.08629	1.6
179.10634	1.6
180.00623	1.9
187.88849	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88298	1.6
53.03935	5.9
55.05515	63.0
58.99589	32.3
61.01149	16.4
65.03930	2.9
67.05502	13.5
69.07066	5.9
70.44611	3.7
70.44968	3.1
70.99607	2.1
73.01143	35.7
75.02691	3.5
79.05495	25.3
80.06271	4.4
81.07062	47.6
82.07819	7.1
83.08624	45.0
85.01134	24.6
87.02700	17.9
89.00621	4.4
89.19738	1.6
91.05476	2.1
92.98340	2.3
93.07090	2.2
95.04971	4.1
95.08556	2.0
97.01135	2.9
99.02682	79.9
101.04230	6.6
103.97540	2.9
104.98321	32.2
111.02647	7.9
112.03451	28.4
113.04237	100.0
114.05022	47.9
114.09412	1.7
115.05802	71.3
116.98310	18.0
118.99052	2.7
118.99873	38.4
121.06510	4.9
123.04447	2.4
130.99875	6.8
133.01456	9.5
133.03035	3.4
133.10100	3.2
136.95499	8.3
145.01411	35.5
146.02205	33.6
161.06015	3.3
164.41180	1.7
179.00189	82.2
179.03419	5.8
179.06439	3.4
181.69847	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	179.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22132	1.4
53.03938	5.2
55.05515	57.6
57.03433	2.4
58.99327	1.8
58.99591	29.9
61.01157	45.2
65.03925	1.8
67.05507	15.7
69.07072	10.3
70.70449	3.1
70.99580	3.9
72.00356	2.1
73.01148	51.6
79.05502	28.4
80.06268	5.4
81.06579	3.3
81.07061	58.3
82.07835	3.7
83.04974	2.3
83.08627	34.1
85.01138	20.5
85.06535	1.8
87.02705	9.3
91.05497	9.3
92.98257	1.8
93.07051	10.0
95.04971	2.9
95.08617	19.5
97.01109	4.6
97.06537	5.8
99.02688	100.0
99.08073	2.3
101.04235	5.3
102.96765	1.6
103.97523	3.2
104.92123	1.6
104.98324	80.4
105.03740	3.2
105.07027	11.0
107.08596	5.6
108.92393	24.5
109.10136	1.6
111.02658	6.2
112.02767	2.3
112.03465	24.2
113.04239	77.4
114.05019	43.5
115.05804	34.6
116.98308	17.0
118.99873	43.8
119.04920	1.3
119.08599	13.3
119.40063	1.6
121.10136	5.5
123.08089	2.7
130.99844	5.0
133.01416	3.8
133.10141	9.5
135.11685	9.9
136.95485	3.7
145.01419	31.1
146.02209	22.5
147.04478	1.7
159.02220	1.2
161.13258	26.6
179.00194	31.5
179.03452	2.9
179.06459	2.4
179.08675	1.3
179.10724	2.2
179.14334	25.4
183.13507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.05515	57.8
58.99591	34.8
59.05001	1.6
61.01155	46.3
65.03944	3.3
67.05505	10.0
68.52033	2.1
69.07069	7.1
70.15780	4.4
70.16183	4.2
70.99570	6.9
72.00356	3.5
73.01146	57.4
78.96788	2.1
79.05491	21.6
80.06265	5.2
81.07064	40.7
82.07848	4.5
83.08622	32.3
85.01135	20.7
87.02701	10.9
89.00626	4.1
93.07063	2.4
95.04964	4.3
95.08601	2.4
97.01125	3.9
99.02686	100.0
101.04234	5.9
102.96745	4.2
103.97530	2.9
104.98323	83.8
105.03727	2.4
105.07034	3.0
106.53236	1.7
107.04934	1.8
108.92402	30.4
111.02666	9.0
112.03458	25.8
113.04241	84.9
114.05027	48.8
115.05798	37.7
115.79459	1.7
116.98312	20.4
118.99867	45.6
119.04974	2.6
119.08638	2.6
130.99823	5.1
133.01413	6.9
133.06491	2.4
133.10161	2.9
136.95473	4.5
145.01416	39.4
146.02203	23.4
146.28891	1.8
147.04427	3.0
161.06004	2.5
161.13339	1.9
162.52303	1.6
179.00198	39.1
179.03398	8.5
179.06415	3.8
179.10663	3.1
179.14426	2.3
186.39098	1.7
194.70610	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.05514	50.8
58.99586	26.0
61.01150	9.6
65.03941	3.5
67.05510	10.1
69.07069	3.6
69.91457	7.0
72.95872	1.5
73.01155	20.6
73.69831	1.7
75.02695	2.7
75.71381	1.7
79.05501	21.7
80.06273	3.6
81.07056	42.1
82.07814	4.9
83.08139	3.1
83.08617	45.2
85.01133	19.0
86.01919	1.8
87.02708	12.0
89.00606	1.7
89.02382	1.7
91.02141	1.6
92.98302	1.8
95.04983	2.6
97.01121	4.3
98.21448	1.8
99.02686	72.4
101.04220	4.9
102.96706	3.3
103.97534	2.7
104.98333	16.4
105.06990	2.0
111.02658	6.3
112.03448	23.7
113.04237	100.0
114.05023	40.6
115.05800	75.1
116.98317	16.6
118.99035	3.3
118.99862	37.7
130.99837	6.5
133.01414	8.4
133.10219	1.6
136.95525	8.0
145.01408	35.8
146.02196	32.7
153.99332	1.7
166.90852	1.5
179.00186	95.0
179.03387	4.4
179.06413	3.4
179.10657	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.01865	1.6
55.05515	60.0
58.99590	31.6
61.00834	2.5
61.01153	50.7
65.03938	3.7
65.78688	1.3
67.05510	10.9
68.87001	1.2
69.03394	1.2
69.07061	7.4
70.00275	7.1
70.99574	6.4
72.00361	2.1
73.01147	49.2
75.02724	2.0
76.02219	4.9
79.05067	1.6
79.05497	23.7
80.06268	5.7
80.94733	1.3
81.07059	38.0
82.07855	3.3
83.08626	37.6
85.01134	22.8
87.02693	9.8
89.00623	2.0
91.02178	2.1
91.05485	5.3
95.04973	3.9
95.08581	1.7
97.01113	5.1
98.21405	2.0
99.02686	100.0
101.04243	4.8
101.60533	1.8
102.96793	2.9
103.97529	4.3
104.98322	91.4
105.07071	2.5
108.92393	31.2
111.02664	10.0
112.02763	2.6
112.03466	28.5
113.04236	79.0
114.05027	44.5
115.05802	37.8
116.98308	22.6
117.03370	1.8
118.99876	45.5
119.04977	2.2
119.08608	2.4
121.06519	1.6
123.04417	3.1
123.08070	1.6
130.99867	5.7
133.01418	5.5
133.02875	1.6
133.10069	1.7
136.95505	3.7
137.09575	1.5
145.01433	33.0
146.02208	26.5
146.03232	1.0
147.03365	1.9
147.04471	3.8
151.03903	2.4
152.69173	1.4
161.05986	2.3
179.00186	34.7
179.03398	5.6
179.07048	4.2
179.08499	1.8
179.10663	2.9
179.14323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0534
Annotation	S-[(E)-Prop-1-enyl]-L-cysteine S-oxide
Peak:m/z	Relative Intensity
55.05527	0.6
68.05028	1.1
69.16211	0.7
70.02956	4.4
70.99210	1.1
71.03739	1.5
73.01138	2.7
73.02914	3.4
74.00624	0.5
74.02444	0.5
80.88133	0.5
81.05779	0.9
82.06589	1.6
83.07373	0.9
86.00526	0.6
87.02711	0.8
88.02219	2.5
88.03994	100.0
89.04320	0.7
89.04783	5.2
91.02174	1.3
96.47285	0.6
106.28639	0.5
112.26070	0.6
114.03750	9.3
115.02160	0.6
120.01210	0.6
132.04826	1.2
137.01457	0.6
160.04300	1.8
178.05374	1.1
197.01140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70799	0.6
58.99591	1.1
61.01156	0.7
64.94989	0.6
64.98275	0.6
65.91770	0.6
68.05019	1.7
69.27143	0.7
70.02963	4.8
70.06589	0.9
70.49558	1.9
70.81463	0.6
71.03726	1.0
73.01154	4.5
73.02931	3.4
74.06069	0.6
82.06577	1.9
83.07348	0.9
84.26713	0.7
87.02705	2.0
87.18860	0.7
88.02225	2.3
88.03997	100.0
89.00594	1.7
89.04784	4.5
91.02177	3.3
96.41203	0.6
114.03751	5.9
132.04807	1.2
160.04262	0.7
173.03035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14270	0.5
50.49097	0.6
51.99565	0.6
57.90506	0.5
58.68888	0.5
63.75745	0.5
66.53514	0.5
68.05045	0.7
70.02953	4.8
70.62023	1.1
70.62376	1.1
71.03735	1.5
73.01156	1.3
73.02923	2.5
74.02429	0.8
75.53216	0.5
81.05788	1.0
82.06593	1.9
87.02699	1.5
88.02244	2.8
88.03999	100.0
89.04313	1.0
89.04785	3.7
91.02174	2.5
114.03763	6.8
115.02168	1.3
132.04829	1.5
160.04353	0.9
178.05463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03949	3.0
54.33570	0.8
55.05511	8.3
55.45607	0.7
57.07076	1.5
58.99583	0.9
62.90554	0.8
63.02390	0.8
65.03948	1.6
67.05508	25.4
69.07065	7.1
69.66007	4.5
73.01142	1.0
75.82171	0.7
76.49245	0.8
77.03909	0.9
78.04726	1.1
79.05497	48.1
80.97696	0.8
81.07064	24.9
83.08618	5.4
85.01126	1.6
88.02235	1.4
89.03921	24.2
91.02151	0.8
91.05480	10.6
93.07049	47.5
95.04979	4.2
95.08609	30.0
97.01114	1.3
97.06540	1.4
97.10205	1.9
98.98475	15.1
103.05496	2.2
105.04546	1.1
105.07035	4.1
106.04189	1.2
107.05022	0.9
107.08603	25.3
108.59466	0.7
109.06516	1.1
109.10162	10.7
109.41190	0.8
111.02680	3.3
112.03454	6.1
113.04236	100.0
114.04536	1.6
116.98296	2.5
117.03387	40.8
117.07025	2.9
119.08582	1.6
121.06483	1.0
121.10150	59.6
122.10433	1.2
131.08583	4.5
133.10144	3.3
134.03639	5.3
135.04424	5.5
135.11702	21.6
142.99875	1.8
144.00616	2.4
145.02853	49.4
149.02364	3.1
149.05980	14.3
149.09663	1.0
149.13264	3.0
158.06020	0.8
159.11694	4.4
162.03162	1.1
163.03925	3.6
176.98627	10.1
177.05481	17.4
177.08990	1.4
177.12772	12.3
177.16393	31.3
178.08719	1.3
186.05569	3.8
198.11963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01603	0.4
53.03934	0.8
55.01881	0.4
63.02383	1.4
67.39287	0.4
71.12830	1.0
73.53709	0.5
78.04710	3.6
79.05484	0.5
81.07034	0.5
85.04017	0.9
89.03917	42.8
90.04239	0.5
91.05485	3.1
93.07054	1.0
94.08678	0.3
95.04949	0.7
98.98479	1.2
103.05473	1.8
103.85197	0.4
105.03413	0.7
105.07030	0.5
106.04188	3.9
107.08578	1.0
107.83030	0.4
117.03382	75.3
118.03710	0.9
119.04943	0.9
121.06493	0.8
121.10152	0.6
124.05213	1.0
124.60136	0.4
129.35344	0.4
131.08554	0.6
134.03639	8.0
135.04439	4.7
145.02847	100.0
146.03220	2.0
149.05984	23.3
149.09636	0.6
150.06425	0.5
159.11584	0.7
162.03119	1.5
163.03954	2.1
177.05476	25.6
177.09087	1.4
177.12746	1.1
177.16489	0.6
186.05492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03943	5.3
54.78167	0.9
55.01847	1.0
55.05515	14.3
57.07054	2.4
58.99578	4.2
61.01134	1.2
63.02370	2.2
65.03942	2.4
67.05508	45.7
69.03429	1.1
69.06773	1.0
69.07074	11.5
70.15723	4.3
70.99538	1.6
73.01127	2.5
77.03944	1.8
78.04691	2.4
79.05498	69.6
80.05820	1.9
80.06261	1.2
81.03433	1.0
81.07065	40.0
83.08626	9.7
85.01144	1.2
89.03923	40.1
91.05486	21.7
93.07050	80.1
95.04961	6.1
95.08612	49.7
97.01107	2.3
97.06510	2.5
97.10157	3.4
98.97858	1.6
98.98479	25.3
99.02680	2.8
99.08083	1.2
101.04256	1.7
102.96740	1.7
103.05466	2.4
104.86961	1.1
105.07018	8.5
106.04169	3.2
107.04959	2.1
107.08602	45.9
109.06538	2.1
109.10168	19.1
111.02703	7.0
112.03457	10.2
113.04237	60.2
116.98316	7.5
117.03387	59.4
117.07008	5.3
119.08575	3.5
121.02838	1.9
121.06507	3.4
121.10151	100.0
122.10520	1.3
123.11660	1.0
124.05162	1.4
127.63254	0.9
130.99843	1.1
131.08586	8.5
133.10143	6.5
134.03629	10.0
135.04443	6.9
135.08057	2.8
135.11705	40.0
142.99886	5.1
144.00658	9.3
145.02850	67.4
149.02365	6.6
149.05988	21.1
149.09648	1.9
149.13271	4.9
158.06032	2.4
158.75452	0.9
159.08125	1.1
159.11693	9.8
162.03171	2.5
163.03929	3.7
176.98630	9.3
177.05458	28.6
177.09061	2.4
177.12775	23.1
177.16394	48.8
186.05539	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	177.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01883	0.7
55.05514	2.6
56.39821	0.7
57.07079	1.4
58.99591	66.4
61.01161	2.0
63.02396	1.6
65.03940	2.6
67.05509	24.3
67.32518	0.7
68.06997	0.6
69.07073	7.8
70.07841	1.0
71.55690	0.7
71.56061	0.8
73.01140	3.1
77.03918	0.8
78.04716	2.8
78.96782	1.3
79.05495	5.6
80.98325	1.1
81.03468	0.7
81.07071	1.7
83.04949	1.1
83.08662	1.3
85.01142	1.0
85.04028	1.5
85.06570	2.1
87.02685	1.6
89.03925	39.2
91.05468	5.9
92.98332	16.8
93.07037	5.2
95.01335	0.8
95.04974	5.7
95.08625	2.4
96.05768	3.0
97.01111	2.5
97.06540	30.6
98.07345	1.9
98.98470	17.9
99.02687	2.9
101.04249	100.0
103.05495	2.0
105.07026	2.4
106.04187	3.2
107.04972	1.4
107.08609	5.2
111.02683	12.7
112.03463	23.8
113.04245	16.7
115.96162	0.8
116.98326	4.3
117.03390	64.5
118.03728	0.8
119.04942	1.0
121.06493	2.0
121.10140	6.7
128.37567	0.7
129.03712	34.8
130.99855	0.8
131.08595	2.6
134.03648	7.7
135.04422	7.9
135.11699	2.1
139.46973	0.7
142.99832	0.9
144.00659	2.0
145.02856	80.3
146.03212	1.1
149.02383	3.8
149.05992	23.6
149.09596	1.1
153.93732	1.2
158.05997	1.0
159.11703	2.2
162.03146	2.2
163.03853	3.7
176.98683	4.9
177.00089	1.1
177.04184	1.0
177.05475	28.7
177.09076	2.7
177.12759	3.7
177.16396	3.3
177.17847	0.7
186.05553	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03946	1.0
55.01876	0.7
55.05513	1.3
63.02382	1.3
67.05502	0.9
69.07071	4.1
69.27459	0.5
70.04351	0.4
78.04726	3.3
79.05509	2.3
81.07052	2.5
83.08619	2.3
85.04049	2.2
89.03921	43.8
90.04289	0.7
91.05502	3.4
93.07037	5.0
95.01348	0.8
95.04967	1.0
95.08607	4.9
98.98479	2.2
103.05472	2.1
105.07047	1.2
106.04162	3.6
107.08598	10.3
109.10165	2.3
113.03523	0.6
113.04258	1.3
116.98259	0.7
117.03386	72.9
118.03735	0.9
119.04928	0.5
119.08569	0.7
121.06507	1.2
121.10156	14.7
124.05219	1.1
132.05885	0.5
134.03644	10.0
134.15401	0.4
135.04462	5.1
135.11714	2.0
145.02852	100.0
146.03195	1.5
149.02419	0.6
149.05986	25.2
149.13286	0.8
152.96179	0.5
158.06068	0.7
163.03899	1.8
177.05475	26.7
177.09071	0.8
177.12708	1.0
177.16396	9.1
178.05824	0.7
186.05469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03934	0.7
55.05508	0.8
58.99591	1.2
63.02374	1.2
65.03956	0.4
67.05505	0.8
67.07397	0.4
69.07080	0.8
71.04693	1.2
77.97395	0.4
78.04717	3.2
79.05499	1.5
81.07064	0.7
89.03922	46.5
90.04263	0.9
91.05489	3.4
93.07040	2.1
95.04977	1.4
95.08625	0.9
98.98480	3.3
100.13692	0.4
100.98997	0.5
101.04244	1.4
101.38642	0.5
103.05465	1.8
105.03418	0.5
105.07051	1.0
106.04190	3.4
107.08573	1.7
112.03468	0.9
113.04208	2.1
117.03385	77.2
118.03698	1.1
121.06546	1.0
121.10104	2.2
124.05219	0.7
126.88104	0.4
134.03636	10.3
135.04443	5.7
145.02852	100.0
146.03175	1.8
149.02351	0.8
149.05991	23.1
149.13202	0.5
158.05998	0.7
159.11685	0.7
162.03067	1.0
163.03928	2.1
164.59026	0.5
177.05475	26.3
177.08992	0.8
177.12755	1.9
177.16347	1.2
186.05479	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	177.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47839	0.8
50.86385	0.7
53.00319	1.0
53.03938	1.8
55.05504	1.8
57.03436	1.2
57.07071	2.1
58.99591	68.3
59.80830	0.9
60.69228	0.7
61.01154	1.4
63.02371	1.3
65.03925	3.0
67.05178	1.5
67.05510	26.5
69.03403	1.1
69.07074	10.5
69.95748	3.4
70.51778	0.7
71.14072	0.9
73.01139	3.8
78.04726	4.4
78.96780	1.3
79.05505	6.9
81.07061	4.3
81.82041	0.8
83.04981	2.5
83.08639	0.9
85.01115	1.3
85.04000	1.1
85.06551	2.6
87.02678	2.3
89.03924	49.3
91.05489	8.8
92.98330	17.5
93.07064	8.1
95.01332	3.3
95.04973	5.5
95.08598	3.2
96.05755	2.1
97.01110	1.3
97.06543	29.2
98.07355	4.1
98.98464	11.6
99.02689	2.4
101.04249	100.0
103.05472	2.7
105.07023	2.8
106.04173	5.2
107.08582	6.3
108.78940	0.9
109.10117	1.6
111.02670	4.3
112.03477	5.2
113.04242	23.7
116.98266	2.4
117.03387	79.1
117.07020	1.9
118.03705	0.9
118.81328	0.8
119.08552	0.9
121.06509	3.5
121.10181	6.7
124.05220	0.8
129.03712	32.2
129.04671	1.6
131.08551	2.6
133.10184	1.0
134.03654	11.4
135.04436	7.0
135.11708	1.9
142.99815	1.4
144.00633	2.9
145.02852	91.7
146.03207	1.5
149.02348	3.5
149.05994	29.9
149.09599	1.5
158.06013	1.2
159.08060	1.9
159.11697	3.4
162.03159	2.3
163.03899	4.2
166.02243	0.8
176.98647	2.4
177.05479	33.7
177.09111	2.4
177.12709	4.4
177.16373	3.2
186.05537	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	177.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01887	1.8
55.05515	1.3
57.03433	1.1
58.99594	6.7
65.03964	1.2
67.05511	5.4
68.99819	0.7
69.03439	2.7
69.07072	24.1
69.80025	2.6
69.80441	1.7
73.01143	2.3
78.04716	3.6
78.96783	5.0
79.05497	9.6
79.22215	0.8
79.78877	0.7
81.07061	2.5
83.04978	5.0
83.08633	1.1
85.01146	1.8
85.02923	2.2
85.04021	0.9
85.06556	1.3
87.02720	2.1
89.03922	50.6
91.05485	7.4
93.07052	7.0
95.01343	8.8
95.04982	3.3
95.08614	4.1
97.01124	1.8
97.06536	28.8
98.07318	13.9
98.98472	15.9
99.02707	1.5
101.04246	6.0
103.05469	2.6
104.64414	0.7
104.98347	0.9
105.07036	2.3
106.04173	4.8
107.08601	6.8
109.06548	1.2
109.10190	1.1
111.02654	5.5
112.03459	10.5
113.04238	23.8
116.98286	4.5
117.03385	81.4
117.07027	1.4
118.03685	1.2
118.99863	2.5
119.08616	1.6
121.06498	2.7
121.10149	8.1
124.05222	1.3
126.58891	0.7
129.01843	0.9
129.03687	6.3
131.04950	1.0
131.08592	3.3
134.03629	10.9
135.04430	8.4
135.08070	1.0
135.11728	1.8
142.99872	1.7
144.00674	3.9
145.02852	100.0
146.03279	0.8
149.02309	4.1
149.05989	29.9
149.09714	1.0
149.13292	1.0
153.93755	1.6
158.06035	1.5
159.08051	1.4
159.11703	2.4
162.03163	3.4
163.03854	3.9
176.98578	2.9
177.04185	1.3
177.05469	35.2
177.09081	2.6
177.12738	6.0
177.16402	5.7
186.05460	4.8
193.80757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30850	0.4
51.34708	0.4
56.96569	10.1
62.25431	0.3
63.12600	0.4
66.70559	0.4
69.58437	2.9
71.95293	2.1
78.04704	0.4
85.12823	0.4
89.03919	3.7
93.37778	0.4
98.97591	100.0
99.97958	0.7
100.02505	0.4
104.54716	0.4
104.59534	0.4
113.00874	1.8
116.98628	66.1
117.03378	6.1
119.01905	0.5
121.01675	1.2
131.00279	0.7
131.01913	8.7
134.99670	27.6
135.03204	1.5
135.04237	0.4
136.02483	0.9
140.00211	1.3
145.02850	7.8
145.03862	0.7
149.02914	0.8
149.05998	1.7
153.00713	2.7
154.03511	4.5
155.01904	0.4
158.01193	1.0
172.04594	0.9
173.02940	1.4
177.00806	2.3
177.04251	1.3
177.05623	2.2
191.03952	0.6
195.01718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05536	0.2
55.10231	0.2
58.99586	1.0
63.02378	0.2
64.74002	0.2
67.05499	0.5
69.07067	1.4
70.27298	0.5
70.84181	0.2
70.99586	0.2
73.01148	0.4
73.90364	0.2
75.35293	0.2
78.04710	0.3
79.05500	8.2
80.06271	0.3
81.07054	0.3
85.01133	1.4
89.03924	6.4
91.05482	0.6
93.07045	0.6
95.01366	0.2
95.04965	0.8
95.08610	0.4
97.01115	0.9
98.01892	0.5
98.98470	3.1
99.02699	0.2
101.04250	0.4
102.96777	0.3
103.05476	0.3
104.98330	0.2
105.04498	0.3
105.07004	0.3
106.04179	0.5
107.08606	0.5
109.06515	0.2
111.02677	2.8
112.03467	3.9
112.11076	0.2
113.04238	100.0
114.04597	1.4
116.98297	1.2
117.03391	9.1
121.06536	0.3
121.10167	0.6
129.34416	0.2
130.99858	0.3
131.08580	0.5
133.10146	0.2
134.03654	1.4
135.04454	0.9
142.99855	0.7
144.00638	1.7
145.02853	12.0
149.02386	0.8
149.05989	3.8
153.93633	0.3
158.06078	0.2
159.07994	0.2
159.11702	0.4
162.03082	0.3
163.03922	0.6
176.98628	9.4
177.05481	4.4
177.06723	0.1
177.09070	0.4
177.12743	0.7
177.16351	0.4
186.05507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
56.71965	0.1
58.99586	0.8
67.05513	0.5
69.07074	1.2
70.99586	0.2
71.29333	0.3
73.01128	0.2
78.04712	0.2
79.05499	8.1
79.32600	0.2
80.06272	0.4
85.01131	1.4
88.02240	0.3
89.03921	3.5
89.04473	0.2
91.05501	0.7
93.07038	0.5
95.04974	0.7
95.08585	0.3
97.01106	1.3
98.01910	0.7
98.98472	3.6
103.05492	0.2
104.42314	0.2
104.98326	0.2
105.04511	0.3
105.07074	0.2
106.04196	0.3
107.08590	0.5
111.02671	2.7
112.03459	5.8
113.04237	100.0
114.04606	1.3
116.98309	0.4
117.03385	5.2
121.02900	0.3
121.10181	0.5
134.03650	0.7
135.04413	0.4
135.11716	0.2
142.99820	0.8
144.00610	0.7
145.02852	6.0
149.02365	0.7
149.05995	1.6
149.09656	0.2
153.93747	0.4
159.11638	0.2
163.03941	0.3
176.98624	7.7
177.05470	2.6
177.09027	0.4
177.12807	0.4
177.16347	0.4
186.05551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05514	0.2
58.99585	0.9
67.05505	0.3
67.22165	0.1
69.07071	1.1
69.91466	0.3
69.91876	0.5
70.99562	0.2
73.01128	0.2
78.04717	0.6
79.05499	7.9
80.06295	0.4
81.07060	0.3
82.52380	0.1
85.01138	1.5
85.03999	0.2
87.48813	0.1
89.03923	7.1
91.05503	1.0
93.07053	0.4
94.90028	0.3
95.01317	0.3
95.04972	0.7
95.08616	0.3
97.01112	0.7
97.06522	0.1
98.01890	0.7
98.20834	0.2
98.98473	2.7
99.02660	0.2
101.04259	0.2
103.05471	0.5
105.04511	0.2
106.04187	0.6
107.08620	0.4
111.02684	2.6
112.03462	3.1
113.04237	100.0
114.04588	1.1
116.71897	0.1
116.98298	0.9
117.03387	11.9
118.03689	0.2
119.08645	0.1
121.06509	0.9
121.10179	0.9
130.99933	0.3
131.08545	0.4
134.03642	1.7
135.04437	1.4
136.27396	0.2
142.99875	0.7
144.00644	1.2
145.02856	14.8
149.02335	0.6
149.05984	4.2
149.07118	0.3
149.09639	0.2
153.93730	0.5
158.06015	0.3
162.03130	0.5
163.03909	0.5
169.50909	0.1
176.98628	10.3
177.05478	5.1
177.09045	0.3
177.12746	0.6
177.16354	0.3
186.05470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73070	0.2
53.03949	0.5
55.01870	0.3
55.05515	0.9
58.99588	1.2
61.01150	0.2
63.02382	0.3
65.03957	0.2
67.05505	2.5
67.15678	0.2
69.07079	1.8
70.99570	0.3
71.54916	0.2
72.24422	0.2
73.01147	0.5
75.34821	0.1
77.03944	0.2
78.04721	0.9
79.05500	11.2
80.06284	0.4
81.07060	1.7
83.08630	0.5
85.01142	1.1
85.02931	0.2
85.04036	0.2
89.03924	9.7
91.05499	1.5
93.07054	3.9
94.90086	0.2
95.01320	0.6
95.04976	1.1
95.08611	2.7
97.01117	1.0
98.01887	0.7
98.98476	4.8
99.02718	0.3
102.96770	0.4
103.05491	0.7
103.97514	0.2
104.98294	0.3
105.04543	0.3
105.07044	0.6
106.04199	0.7
106.99960	0.2
107.08606	2.4
109.06505	0.2
109.10181	1.1
111.02683	2.9
112.03457	4.2
113.04237	100.0
114.04597	1.3
116.98310	1.0
117.03387	13.9
117.07040	0.2
119.08596	0.2
121.02869	0.2
121.06499	0.5
121.10154	6.6
124.05206	0.4
129.04486	0.2
130.99886	0.3
131.05009	0.2
131.08591	0.6
133.10149	0.4
134.03639	2.0
135.04459	1.3
135.11687	2.0
142.99847	0.7
144.00638	1.8
145.02856	17.7
146.03218	0.5
149.02367	1.1
149.06003	5.2
149.09657	0.4
149.13292	0.3
153.93669	0.7
158.06085	0.3
159.08076	0.6
159.11700	0.4
162.03123	0.7
163.03915	0.7
176.98631	10.6
177.05484	6.3
177.07050	0.3
177.09077	0.6
177.12810	1.0
177.16399	3.3
186.05542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73981	1.5
60.05664	6.6
61.05333	1.4
69.28718	12.3
70.06605	9.3
71.04995	5.0
71.06288	1.3
71.06931	8.8
76.40630	1.3
76.50578	1.2
91.56586	1.1
98.06023	1.4
98.97556	1.6
116.07065	1.6
117.07451	2.6
130.09749	7.1
130.12305	1.1
131.01967	1.4
132.02127	100.0
133.02415	1.7
161.68324	1.2
176.01125	17.4
176.09048	1.9
176.10365	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	176.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95126	0.2
53.03952	0.6
58.99594	1.0
60.82479	0.2
63.02381	0.2
64.24512	0.2
65.03951	0.3
67.05502	0.4
69.07076	1.5
70.25491	0.2
70.25841	0.7
73.01144	0.4
78.04716	0.4
79.05502	9.0
80.06272	0.4
81.07059	0.3
85.01128	1.3
88.02238	0.3
89.03927	9.1
91.05490	0.8
93.07047	0.6
94.90029	0.3
95.04968	0.8
95.08583	0.3
97.01134	1.4
98.01897	0.9
98.98473	4.1
103.05454	0.4
105.07028	0.4
106.04179	0.5
106.06583	0.2
107.08607	0.7
111.02680	3.1
112.02684	0.2
112.03461	5.1
113.04240	100.0
114.04594	1.3
116.98310	2.0
117.03394	13.3
119.04945	0.3
121.02901	0.2
121.06546	0.5
121.10114	1.0
131.08582	0.6
134.03667	2.1
135.04427	1.5
135.11708	0.4
142.99876	0.8
144.00642	1.9
144.09322	0.2
145.02858	17.1
146.03218	0.3
149.02386	1.4
149.05991	5.0
149.09583	0.2
153.93724	0.6
158.05952	0.2
159.11693	0.6
162.03146	0.6
163.03882	1.0
176.98636	8.4
177.05475	5.9
177.09126	0.5
177.12717	1.0
177.16324	0.5
186.05510	0.9
191.31140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03953	0.5
54.13758	0.5
55.05513	7.2
57.07063	0.7
65.61224	0.6
66.08589	0.5
67.05510	2.1
68.68448	0.5
69.07076	20.8
71.13862	1.3
79.05506	2.0
81.07063	5.6
81.24297	0.6
83.08608	4.6
91.05475	7.9
93.07041	3.2
95.08623	4.0
98.98482	0.7
103.00913	0.6
103.05482	1.3
105.07042	20.4
107.08614	4.3
115.05446	0.6
117.07016	2.9
119.08591	83.9
120.08929	1.0
121.10151	3.4
131.08618	4.2
132.09402	0.7
133.10141	69.1
134.10521	1.1
135.11684	0.7
137.61359	0.7
143.08424	0.6
145.10143	7.2
146.10907	1.0
147.11690	9.0
159.11610	1.2
160.12485	3.7
173.13298	2.2
175.14838	100.0
176.15193	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71069	0.5
53.03955	0.7
55.05513	7.3
57.07080	0.9
67.05518	2.0
69.07072	21.2
70.06611	0.5
70.89755	1.0
70.90072	0.5
79.05486	2.9
81.07058	8.2
83.08638	3.5
91.05482	9.7
93.07063	3.9
95.08613	6.3
98.98463	5.6
102.82581	0.4
103.05493	0.9
105.07035	24.8
107.08595	5.8
108.50643	0.5
109.10111	0.6
115.05460	0.9
117.07030	3.6
118.07825	0.6
119.08588	85.1
120.08875	0.6
120.09438	0.5
121.10161	2.6
129.07027	0.8
131.08568	5.4
133.10138	79.0
134.10530	1.6
135.11687	1.1
144.09305	0.5
145.10132	7.2
146.10861	0.9
147.11699	14.8
159.11629	0.9
160.05104	0.6
160.12480	5.0
173.13234	2.4
175.14832	100.0
176.15178	2.1
184.80812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.60091	0.6
53.03943	0.9
55.05513	7.7
57.07087	0.6
65.03960	0.9
67.05495	2.4
69.07073	21.1
70.06581	0.6
71.00632	1.2
79.05494	2.6
80.39511	0.5
80.72762	0.5
81.07053	6.1
83.08630	3.7
86.08909	0.5
88.07232	0.5
90.90337	0.5
91.05487	10.3
93.07063	3.6
95.04964	0.7
95.08611	5.0
98.98468	13.1
100.14953	0.6
103.05457	0.8
105.07035	27.7
107.08589	6.2
111.02657	1.3
115.05467	0.9
117.07024	4.1
119.08587	85.7
120.08942	0.7
121.10136	3.4
131.08568	4.1
132.09373	1.0
133.10136	78.7
134.10384	1.4
135.11684	0.9
142.07803	0.6
145.10143	6.8
146.10893	1.3
147.08069	0.6
147.11700	12.3
157.10107	1.5
159.11618	0.8
160.05150	0.8
160.12491	3.4
173.13257	2.7
175.07555	1.4
175.11339	2.2
175.14832	100.0
176.15199	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03962	0.7
55.05515	8.4
57.07085	0.8
65.87051	0.5
67.05507	2.5
69.07075	21.7
69.77264	2.8
69.77676	1.1
70.06588	0.8
79.05490	3.4
81.07059	6.8
83.08621	4.5
86.44623	0.7
87.00975	0.6
91.05490	9.5
93.07069	3.6
95.08611	6.4
98.98465	3.8
103.05469	0.8
105.07042	26.1
107.08617	5.7
115.05415	0.6
117.07008	3.7
119.08592	89.7
120.08911	0.8
121.10159	2.4
129.06970	0.6
131.08592	5.4
132.09363	0.9
133.10143	73.5
134.10420	0.8
135.11708	0.7
145.10139	7.8
146.10892	1.7
147.11702	13.1
159.11670	1.0
160.12488	3.6
171.49460	0.7
173.13289	2.8
175.07628	1.2
175.14845	100.0
176.15204	1.6
179.24196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05651	0.6
53.03937	0.7
55.05517	8.5
67.05513	2.1
69.07073	21.1
70.06567	0.9
70.99769	1.1
79.05493	2.8
81.07060	5.8
83.08622	4.6
88.08240	0.6
88.13340	0.6
90.07201	0.6
91.05492	10.7
93.07069	4.1
95.08619	6.8
96.58891	0.7
98.98476	1.9
105.07039	24.8
107.08603	6.1
115.05469	0.7
117.07028	3.2
119.08589	88.3
120.08900	0.8
121.10147	1.7
131.08540	3.8
132.09375	1.0
133.10141	73.5
134.10481	1.3
135.11710	0.8
145.10107	6.3
146.10934	1.5
147.11688	11.6
160.12471	4.9
173.13269	3.4
175.14838	100.0
176.15182	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
52.03605	0.3
53.07562	0.4
54.75375	0.4
55.05520	0.4
56.96569	6.4
57.03437	0.5
60.05652	35.9
69.03444	0.7
70.06596	100.0
70.96671	0.8
70.97017	0.5
71.04992	2.3
71.06927	0.7
72.08160	6.7
74.31701	0.4
81.45184	0.3
84.08144	2.0
85.01408	0.8
85.02937	0.4
86.09736	0.7
97.02908	0.9
97.07673	1.0
98.06052	0.5
98.97594	3.4
98.98477	1.4
100.93399	0.4
101.00889	2.1
103.02461	2.1
110.97586	1.8
112.08749	4.0
114.10268	0.7
115.02424	0.7
115.08691	0.8
116.07097	27.5
116.97233	0.5
116.98614	1.4
119.01911	6.2
121.03487	0.7
124.81670	0.4
127.03860	0.6
128.02255	0.6
128.98630	1.8
129.10233	0.5
130.06564	3.1
130.09766	11.8
131.01915	0.6
132.04437	2.3
133.03473	4.5
137.02965	1.1
145.03455	1.5
146.99634	0.8
151.04536	1.7
156.98096	0.9
157.07623	0.9
157.10843	1.0
158.06020	3.2
158.09271	7.5
159.03331	0.5
163.04539	0.5
174.99156	4.5
175.04518	6.4
175.05963	0.8
175.08681	1.0
175.11917	22.8
187.02931	0.4
193.00230	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	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09526	0.3
55.06665	0.4
56.96570	1.1
60.05652	35.1
69.68730	2.5
70.06596	100.0
71.04992	1.3
71.06945	0.5
72.08159	5.7
73.02935	0.7
79.93499	0.3
84.08167	1.5
85.01441	0.5
85.02906	0.6
88.07632	0.4
97.07658	0.6
98.06074	0.8
98.97585	0.8
101.00888	1.6
103.02455	1.3
110.01311	0.4
112.07608	0.8
112.07986	0.4
112.08736	4.5
113.07178	0.4
114.10272	0.9
115.08680	0.9
116.07100	28.0
116.98634	0.4
119.01925	4.2
129.10265	0.4
130.08698	1.1
130.09763	12.1
131.01910	0.8
132.02124	1.1
133.03481	3.2
137.02974	0.9
145.03481	1.2
151.04546	0.9
157.03545	0.4
157.10820	0.8
158.09258	8.4
161.02963	0.9
175.04547	3.9
175.11914	21.0
176.10219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.2
56.96569	0.6
60.05651	36.5
68.05024	0.2
70.06594	100.0
71.05001	1.6
71.06931	0.6
71.54040	0.2
72.08157	3.8
73.06453	0.2
74.02440	0.2
78.49619	0.1
84.08146	6.5
86.53829	0.1
88.07626	0.5
97.07662	0.7
98.06068	0.5
98.97591	0.4
103.02454	0.6
111.94317	0.1
112.08733	4.5
113.07146	0.5
114.10280	0.6
115.08719	0.8
116.07096	29.6
116.98571	0.2
117.07468	0.2
119.01914	0.6
121.01691	0.2
121.03449	0.3
130.08672	2.1
130.09758	12.9
130.12315	0.6
132.56923	0.2
133.03502	0.2
140.08205	0.3
141.06586	0.3
147.03235	0.2
157.10841	1.3
158.09256	8.2
159.07701	0.2
172.95212	0.2
174.89592	0.5
175.04524	0.2
175.11919	22.7
175.14410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1328
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05516	6.3
55.93554	0.5
59.05002	0.9
62.80697	0.5
67.05522	2.7
70.90914	1.2
72.93790	3.4
76.22918	0.5
79.05502	1.5
81.07056	2.8
83.04989	5.4
84.04483	0.7
86.09737	0.5
87.04442	0.6
90.94847	1.8
91.05484	10.0
93.07033	1.3
101.06022	4.8
102.04662	0.5
102.15493	0.4
103.05435	0.6
105.07043	9.5
111.04444	6.8
113.35838	0.5
115.05455	1.5
115.46797	0.5
116.06241	1.7
117.07027	4.8
119.08585	14.3
124.57848	0.5
127.07527	0.6
128.06264	1.4
128.10757	0.6
128.13055	0.5
129.05521	1.2
129.06999	8.0
130.07834	2.7
131.08577	68.7
132.08929	1.4
133.10139	2.3
142.07803	1.2
143.08566	21.5
144.09369	8.2
145.06558	0.6
145.10138	27.2
149.96124	1.2
150.96889	0.6
152.13281	0.5
155.07048	5.1
156.09355	1.7
157.10097	1.4
158.10921	32.8
167.97108	1.0
171.11682	2.4
173.08182	7.1
173.13275	100.0
174.13599	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03944	0.5
55.05513	7.4
57.07075	1.7
59.05001	1.2
60.53422	0.4
65.03950	0.5
65.48274	0.4
67.05505	2.9
69.03416	0.4
69.31742	4.0
71.06133	0.6
72.93802	0.5
74.47098	0.4
76.02222	1.1
79.05486	3.5
79.22531	0.4
81.07055	3.1
83.04980	5.9
83.63400	0.4
88.75079	0.4
90.90396	1.4
90.94823	0.5
91.05486	15.6
93.07047	3.5
95.08636	1.6
98.98489	1.9
99.02679	0.6
101.06025	3.9
103.03313	1.7
103.05483	0.7
105.07039	9.3
107.08636	1.1
111.04448	6.1
113.06010	0.6
115.05459	1.8
116.06258	2.4
117.07022	15.8
119.08585	5.1
127.07567	0.6
129.05525	2.5
129.07005	5.5
130.07809	2.0
131.08575	100.0
131.93008	0.6
132.08041	0.6
132.08942	1.5
143.08528	2.1
143.68341	0.4
144.09351	2.6
145.06508	0.7
145.10133	17.9
146.10521	0.5
149.94060	1.0
155.07051	3.9
158.06210	0.5
158.10916	1.8
171.11710	1.2
173.01024	0.7
173.08322	6.9
173.13271	71.9
174.13768	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.6
57.07071	1.6
59.05000	1.1
59.41125	0.3
65.03963	0.4
65.70187	0.3
67.05517	3.6
71.06139	0.7
71.35485	0.7
72.93745	0.4
76.02241	0.8
79.05499	4.7
81.03427	0.4
81.07071	3.3
83.04988	6.9
87.04453	0.6
89.02398	0.7
90.90380	0.8
90.94859	0.4
91.05482	15.2
93.07061	3.4
95.08591	2.1
98.98474	1.7
99.02705	1.3
99.04441	0.5
101.06017	5.2
103.03297	2.6
103.05489	0.7
105.07037	10.4
107.08610	1.1
108.91307	0.3
111.04451	7.1
113.06030	0.5
115.05458	2.1
116.06230	2.1
117.07029	16.1
119.08585	5.2
127.07558	1.1
128.06206	0.9
129.05515	3.2
129.07011	6.8
130.07808	3.0
131.08574	100.0
132.08064	0.4
132.08978	1.2
137.02812	0.4
143.08598	2.4
144.09354	2.8
145.10129	19.5
149.94055	1.0
151.31953	0.4
155.05937	0.5
155.07062	4.9
158.10936	2.6
171.11684	1.1
172.92046	0.4
173.01027	0.6
173.08318	10.4
173.13269	81.0
174.13628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0766
Annotation	N-Nitrosoguvacoline
Peak:m/z	Relative Intensity
55.01880	2.3
55.05525	0.7
56.96569	12.2
57.03455	0.4
62.99059	0.4
68.05021	0.8
69.03432	1.2
69.03805	0.4
69.07104	0.5
70.06614	0.6
71.04990	1.0
71.54717	0.7
71.55118	0.4
71.95267	0.7
72.04526	2.1
72.08170	3.6
73.02911	0.9
74.97571	0.4
76.38524	0.4
81.04543	0.7
82.06577	0.5
84.04500	1.0
84.08119	0.9
84.96048	0.5
85.02895	1.7
85.07659	0.9
86.09705	2.0
87.04470	0.8
88.03980	0.7
89.07162	1.2
95.06095	8.4
95.38096	0.4
96.06877	67.2
97.02885	0.6
97.06667	0.5
97.07676	7.6
98.06022	0.4
98.97588	8.1
100.00128	1.0
100.07679	0.4
101.00858	1.4
102.97048	0.4
103.02448	1.1
110.01314	0.7
110.07150	0.5
110.08012	0.4
110.97568	5.9
112.99132	0.7
116.98627	4.0
119.01907	8.2
119.12489	0.4
120.02068	0.8
121.01666	0.6
121.03486	0.7
124.07609	0.4
124.08669	0.5
125.07121	61.3
126.05532	0.6
126.07461	0.7
126.09126	0.7
127.08504	0.4
128.02328	1.5
128.98610	8.3
130.04979	0.5
131.00136	0.7
134.99670	1.5
137.02937	1.8
139.00249	4.7
139.53102	0.4
140.56972	0.4
143.00133	0.6
146.99667	6.8
147.00877	0.4
147.01399	1.0
148.01529	0.8
149.01176	1.1
153.06564	1.7
157.01360	2.7
157.03427	0.7
161.01180	0.6
162.97385	0.5
165.00742	0.9
166.00789	0.5
166.97783	0.4
171.07654	100.0
171.14908	1.0
172.07964	1.6
172.09395	0.5
189.00713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64402	1.0
53.19825	1.0
55.05510	8.8
57.03440	1.1
57.07096	1.2
58.99577	2.9
59.96731	1.7
60.99163	1.1
61.01161	8.5
62.99074	9.7
63.00717	4.0
63.99577	1.1
63.99867	12.3
65.94009	1.5
65.95728	1.1
65.96011	10.6
67.05509	2.3
69.03414	2.7
69.07054	2.9
69.73701	5.4
70.06583	1.7
72.04524	36.1
73.01147	84.3
73.30180	0.9
76.85321	1.0
78.96772	4.2
79.05490	3.1
80.29398	1.0
81.03410	1.1
81.40081	1.0
83.01323	1.0
83.04978	1.5
83.08629	9.7
83.19792	0.9
84.04498	1.5
84.90457	0.8
85.02955	1.8
86.09666	0.9
87.02722	1.5
89.07163	25.9
90.01395	1.9
91.05481	1.4
95.04886	1.2
95.08611	1.3
95.28468	0.9
96.06897	1.2
96.88504	1.0
96.97816	1.0
97.02902	2.7
97.06508	1.8
97.08463	1.4
98.20753	1.9
99.04492	1.0
102.03764	1.5
104.98326	6.8
105.06992	1.0
106.97905	11.6
106.99875	7.1
107.08575	1.2
108.00669	100.0
109.01455	32.5
109.10136	1.2
111.02658	1.0
111.04447	4.5
112.93529	9.5
113.04309	1.2
125.06001	3.2
125.07110	1.1
125.07968	1.9
128.06206	3.8
129.07047	2.7
139.03896	1.3
141.06992	2.8
143.08586	5.8
153.05479	2.2
155.08537	1.2
156.09335	7.5
171.02998	2.4
171.05487	2.0
171.08148	3.6
171.10107	2.1
171.11697	11.6
171.14932	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	170.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	10.1
57.07091	2.1
58.99585	4.1
60.29675	1.8
61.01177	2.4
62.99087	12.4
63.99859	11.7
65.96007	11.1
67.05514	4.9
69.03448	1.6
69.07075	5.3
70.73969	4.8
72.04521	36.5
73.01148	89.2
78.96775	3.5
79.05518	2.2
81.07067	1.8
83.04985	2.9
83.08637	10.2
84.04453	1.6
87.02701	6.1
89.07168	25.7
93.07067	2.5
97.06546	3.9
98.97402	2.2
99.04484	2.0
101.04244	2.4
104.98324	1.9
106.97908	3.1
106.99905	5.6
108.00669	100.0
109.01451	32.4
109.10184	6.4
111.04455	3.6
113.04247	2.9
125.05997	3.0
128.06290	2.1
137.09727	1.8
141.07079	2.3
143.08649	2.6
153.07349	3.4
156.09407	4.5
171.02991	3.5
171.08337	5.6
171.10141	1.6
171.11685	6.1
171.14958	18.2
181.50763	1.8
187.23997	1.5
187.26080	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28074	1.7
55.01895	1.9
55.05520	14.1
56.96563	1.6
57.03428	3.9
57.07075	2.3
58.99580	3.2
59.96738	8.1
61.01143	6.2
62.99079	24.0
63.94441	6.1
67.05527	2.2
69.07069	4.4
69.88422	8.2
70.06591	3.5
72.04523	54.4
72.63337	1.5
73.01146	99.7
75.19916	1.7
78.96771	5.8
79.05488	3.2
79.97565	50.9
81.03415	3.4
81.07033	3.4
83.01373	2.0
83.04977	3.1
83.08619	17.1
84.04504	8.2
85.02905	3.0
85.04840	5.0
89.06676	2.3
89.07167	35.3
91.02187	100.0
92.02969	95.7
93.07046	3.2
97.02940	2.0
97.08463	5.8
97.10191	2.0
98.20724	2.1
100.07619	1.7
102.03796	9.3
104.98320	3.4
106.97900	5.4
107.08569	2.3
109.06656	1.5
110.93948	5.8
111.04484	3.3
111.27189	2.1
112.93569	2.1
125.05994	2.8
125.07937	3.3
128.06213	6.4
129.06993	2.5
139.00294	1.6
141.07021	1.9
143.08582	5.6
156.09366	14.5
171.02936	4.1
171.08018	5.3
171.10179	3.8
171.11713	17.0
171.14952	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
55.05268	2.2
55.05516	32.9
56.96575	2.2
57.07072	2.1
59.05000	1.9
59.96725	6.4
61.01150	6.9
62.95803	1.9
62.99084	18.8
63.00750	2.1
63.94442	4.9
67.05516	3.5
69.07058	5.2
69.97186	10.0
72.04525	65.9
73.01147	86.4
78.96783	3.8
79.05486	7.2
79.97564	47.7
81.07062	3.3
83.08628	19.3
84.04523	2.2
88.90846	2.3
88.91470	1.8
88.95320	2.3
89.07163	43.4
91.02188	100.0
91.05492	2.9
92.02969	91.4
93.07037	2.2
97.10175	8.6
104.98293	4.6
106.97901	4.9
107.08562	2.9
110.93941	6.8
111.04480	5.1
115.01064	1.9
125.06020	2.5
127.77646	1.8
128.06238	6.8
129.06995	9.6
141.06960	2.5
142.07881	2.9
143.08580	9.0
156.09390	10.6
171.02953	3.6
171.08498	2.2
171.10156	3.9
171.11682	20.2
171.14944	33.5
173.68268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.0
55.05518	20.2
57.07033	2.4
58.99578	4.2
59.96722	7.3
61.01157	3.9
62.99083	21.7
63.72182	1.7
63.94432	5.7
67.05487	4.9
69.03426	2.3
69.07066	4.8
71.55730	2.3
72.04524	80.9
73.01147	100.0
74.07122	2.0
77.72320	1.7
78.96766	8.0
79.05499	2.9
79.97570	45.5
81.07030	2.2
83.04948	2.2
83.08622	18.7
87.02693	7.5
88.90881	2.8
88.91481	3.4
89.07163	58.2
91.02187	87.2
92.02971	93.4
93.07036	2.1
97.06549	4.9
100.07607	3.0
102.12365	1.9
103.54425	2.1
104.98322	4.9
106.97922	5.7
107.08599	2.7
109.10167	2.6
110.03987	2.4
110.93951	4.3
111.04450	7.4
125.06013	2.7
128.06235	4.6
133.05602	2.5
138.04942	2.5
138.08658	2.5
142.07863	2.1
142.99870	2.4
143.08681	6.0
147.94583	2.6
151.22429	1.7
153.05513	2.2
156.09338	11.2
162.65871	1.7
162.94797	1.9
170.99371	2.0
171.02956	10.2
171.06622	3.6
171.08157	3.8
171.10100	4.0
171.11691	8.6
171.13652	3.4
171.14955	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	168.9812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
55.93541	0.8
56.44454	0.8
57.03454	0.9
58.40033	1.0
58.99588	16.4
59.99958	0.9
61.01155	100.0
62.99077	8.6
63.99859	6.8
64.19667	0.8
67.05515	2.5
70.99584	11.9
71.55508	1.7
72.00362	18.0
73.01147	18.4
78.96780	16.3
79.05500	2.0
81.03397	1.0
81.07075	2.4
91.05476	1.8
93.07026	1.2
95.04967	1.6
95.08641	1.0
96.97821	67.5
99.04497	1.2
99.25415	1.0
104.98325	59.8
107.08609	3.4
109.02918	1.8
109.06509	1.3
109.10163	3.2
111.00827	1.4
111.04475	2.3
113.04274	0.9
123.04456	1.7
123.08048	1.6
124.07626	1.1
124.91290	0.9
127.02147	2.9
127.05798	1.9
127.07635	1.0
128.77821	0.9
135.94693	1.4
140.06107	2.7
141.05505	5.0
141.07016	1.6
146.96165	1.7
151.03922	2.1
151.08681	0.9
152.03357	0.8
154.07799	2.6
163.97684	1.0
169.01384	1.0
169.04968	3.2
169.06750	2.0
169.10089	7.6
169.12227	1.0
170.09683	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	168.9811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49433	1.5
54.38263	1.6
55.05497	2.7
55.93526	1.7
56.96559	3.9
57.61187	1.7
58.89617	1.5
58.99592	13.0
61.01156	89.4
63.94434	5.8
67.05495	3.7
70.14912	5.2
70.15282	2.9
70.99577	8.3
71.04984	2.3
71.08607	1.6
72.00356	8.0
73.01148	10.7
76.82030	1.7
78.35002	1.5
78.96792	2.4
81.03399	2.0
81.07044	4.7
85.02866	1.9
85.06512	2.0
85.10140	1.8
90.01377	2.4
91.05495	1.7
93.07037	2.6
94.97870	1.7
95.04961	2.3
95.08620	2.4
96.97818	5.3
99.02675	1.8
99.04469	2.7
104.98322	100.0
105.99128	12.7
107.08557	3.2
109.02882	4.8
109.06543	2.6
109.10136	2.5
110.93939	8.0
111.00779	2.9
111.04461	4.0
117.93557	1.7
123.04411	4.2
123.08105	2.9
123.11690	1.8
126.03140	2.5
127.02152	1.9
127.05787	2.3
128.95074	3.8
141.05464	9.8
141.07004	2.5
142.06476	1.8
143.43398	1.5
146.96181	3.4
151.03920	10.3
163.97713	5.2
169.04941	5.3
169.10107	4.8
169.12273	2.9
170.09700	3.4
181.98793	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	168.9812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.0
56.96564	2.6
58.99594	6.6
58.99833	1.2
61.00882	1.8
61.01159	24.7
64.68372	1.5
65.03935	1.7
67.05502	5.0
70.80032	3.6
70.99580	2.8
72.00364	10.8
73.01149	34.3
78.96770	2.5
79.05476	2.4
81.07057	2.6
86.99059	3.1
88.03460	3.4
89.00627	8.7
89.04271	7.6
90.01407	100.0
91.03828	2.7
92.98334	7.2
93.07076	1.5
94.97915	14.6
95.04987	1.8
95.08612	3.0
96.97820	8.4
104.98329	21.5
107.08584	2.7
108.08142	1.4
109.02881	2.8
109.06473	2.2
109.10162	2.7
110.93929	1.3
111.04488	1.5
113.04227	1.8
123.04429	1.8
123.11690	1.5
126.03148	1.9
127.02164	2.7
127.05801	3.4
128.95062	2.1
141.05446	3.7
141.07095	1.6
146.96117	1.7
149.15129	1.3
151.03888	7.4
154.07791	2.1
160.88708	1.4
163.97757	2.1
169.05017	2.8
169.06807	1.4
169.08722	2.0
169.10103	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	168.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01866	1.1
55.05506	1.0
56.05044	0.5
56.94303	0.4
56.96568	22.5
57.03422	0.8
58.99572	0.4
61.02922	0.4
65.03937	1.2
67.05503	0.9
67.92519	2.3
69.03436	1.0
69.07066	0.9
70.06561	0.5
70.72229	1.2
70.80331	0.4
71.95251	0.9
72.93794	0.7
72.96059	0.5
73.02907	1.7
73.06564	0.4
74.97619	1.4
78.96774	1.8
79.05498	1.2
80.05020	0.5
80.05833	0.7
81.03419	1.3
81.07024	0.6
82.66005	0.4
82.94839	3.6
84.08139	1.8
84.96030	1.5
85.02918	2.3
85.93552	0.6
85.94602	0.5
87.04469	0.5
87.29145	0.4
88.34890	0.4
91.05486	45.6
94.06570	1.7
95.04971	7.8
97.02888	2.1
97.03436	0.4
97.99204	0.5
98.01302	0.6
98.06065	0.7
98.97609	4.2
99.04445	0.5
100.99127	0.9
101.00816	0.6
102.97015	0.5
103.05472	0.6
105.07004	0.6
107.04997	0.6
108.04524	0.4
108.05206	0.5
109.02880	2.5
109.99206	0.5
110.01273	0.7
110.06072	0.9
110.97586	0.6
112.07607	1.1
116.98615	2.6
117.02105	0.6
118.94365	0.4
119.01827	1.5
119.04952	32.1
120.01200	0.4
121.01683	1.9
121.99368	0.8
122.06010	1.1
122.06821	0.5
122.09647	0.5
123.08099	0.6
123.97453	2.6
124.04674	0.5
124.07547	0.7
126.05503	1.3
126.93774	1.9
126.97045	1.2
128.00200	0.6
128.02324	1.1
128.98573	0.9
130.08632	0.5
134.06029	0.7
134.99690	0.7
136.05219	5.6
137.06009	2.9
139.02625	0.6
140.07024	0.9
143.00191	0.5
144.94821	1.2
144.95866	1.6
144.98059	3.4
145.00888	0.8
145.01877	0.4
145.03551	1.8
146.99695	0.8
147.03209	0.5
149.01186	0.9
150.05508	6.7
151.07550	100.0
152.06900	0.4
152.07983	0.9
154.05020	1.0
156.03326	25.7
160.02864	0.7
162.57738	0.5
162.95781	2.1
162.96979	1.3
162.99159	3.8
163.02779	1.4
163.97728	0.8
168.03342	1.1
168.05244	0.5
168.06544	2.7
168.10118	0.9
174.04402	42.4
177.00687	0.5
179.00420	0.4
180.02631	0.4
185.97508	1.0
186.02910	0.8
186.04402	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	168.9812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05505	1.4
55.25905	0.6
55.93531	0.8
56.96560	1.5
57.03443	1.2
57.07071	1.5
58.99595	17.6
59.96729	1.0
61.01158	100.0
62.99086	9.5
63.99868	8.4
65.03931	1.1
67.05512	7.5
69.07070	1.1
70.99201	1.0
70.99588	13.0
71.04992	1.7
71.55003	0.7
71.99976	1.1
72.00367	18.1
73.01152	21.1
78.96786	16.0
79.05504	3.3
81.03414	1.9
81.07060	5.9
83.04963	1.2
85.02907	1.3
85.06545	1.5
89.00591	0.7
90.01409	6.8
91.05463	2.0
93.07047	2.1
95.01344	5.6
95.04967	2.5
95.08609	2.4
96.97827	66.0
97.02866	0.8
99.02669	2.0
99.04445	2.2
102.96747	1.2
103.95619	0.7
104.98329	64.7
105.07014	1.0
107.08601	4.1
107.59653	0.7
109.02867	2.7
109.06542	2.0
109.10170	4.6
110.91961	1.8
111.00815	1.0
111.02671	0.7
111.04453	2.7
111.08075	1.3
112.45047	0.6
113.04250	1.1
117.93617	0.7
119.95123	0.8
123.04451	3.6
123.08090	1.4
123.11736	1.5
124.04683	1.1
125.04258	0.7
126.03146	1.6
127.02139	2.3
127.03937	1.0
127.05783	5.4
128.95110	1.0
135.08025	1.0
135.94698	1.5
136.08870	0.6
141.05481	4.9
141.07053	2.1
146.96089	1.1
151.03899	1.4
151.05768	1.5
153.06995	0.8
154.06270	1.2
154.07742	1.8
163.71915	0.6
163.97723	2.3
168.98164	0.9
169.01343	0.7
169.03738	0.7
169.04945	3.5
169.06839	3.6
169.08617	5.2
169.10117	4.9
170.09663	0.9
181.98828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01883	0.8
55.08038	0.3
57.03438	0.4
58.99591	11.8
59.96734	3.7
61.01155	76.5
62.01479	0.4
62.99088	0.7
63.78261	0.3
63.94449	10.2
63.99870	0.5
65.03925	0.4
67.05516	1.7
69.07092	0.8
70.99585	7.4
71.04989	0.5
71.54665	0.3
72.00362	4.6
73.01145	10.5
73.01529	0.7
77.95997	3.0
78.96763	0.7
79.05494	0.9
81.03419	0.8
81.07076	1.8
83.05006	0.4
84.04508	1.0
85.06555	0.4
90.01392	1.9
91.05505	0.7
92.31161	0.3
93.07047	1.2
94.96262	1.2
95.01338	4.7
95.04971	1.1
95.08608	1.1
96.08186	0.4
96.97818	2.4
97.06541	0.4
99.04482	0.5
102.96767	0.7
103.95666	0.4
104.98324	100.0
105.07020	0.6
105.99116	17.6
106.99886	1.7
107.08593	0.7
109.02890	1.1
109.06516	0.7
109.10164	0.9
110.93961	60.2
111.00838	0.6
111.04446	0.7
123.04430	0.8
123.08099	1.0
123.11732	0.5
126.03143	0.9
127.05814	2.8
127.19166	0.4
128.95135	0.4
141.05472	2.5
145.96698	0.5
151.03917	0.8
154.07777	0.8
163.97743	0.7
168.98091	0.5
169.05112	1.6
169.06349	0.6
169.10155	1.8
170.08150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03939	3.4
55.01872	5.1
55.05514	90.9
56.21775	0.8
56.78986	0.7
57.03419	3.4
57.07078	3.8
59.05005	10.5
62.42785	0.8
65.03927	1.2
66.72100	0.8
67.05177	1.6
67.05510	22.0
68.99794	0.8
69.03432	23.9
69.07069	11.2
70.72985	2.3
70.99568	2.4
71.04977	2.5
73.06553	1.0
77.03913	0.8
77.36938	0.8
78.04696	2.3
79.05498	12.3
81.03448	0.8
81.07061	17.3
83.04987	100.0
83.08624	37.3
83.09044	0.5
84.05299	1.4
85.06544	8.1
86.19228	0.9
90.04724	0.8
91.05473	4.9
93.07048	11.5
94.07367	1.0
95.04958	2.9
95.08612	9.6
96.08930	0.9
97.06544	5.2
97.10174	11.7
99.08101	2.4
105.07042	4.1
106.04189	1.0
107.04958	2.9
107.08603	20.6
109.06516	4.4
109.10158	23.6
111.08092	25.5
111.08856	1.4
112.08883	7.0
113.09641	3.3
120.08111	1.0
121.01672	1.2
121.06503	2.5
121.08433	7.7
121.10144	16.2
123.04420	3.4
123.08079	2.1
123.11712	10.0
124.05202	1.4
125.06002	1.6
125.09635	16.3
135.04468	1.0
139.07538	2.4
139.09497	2.7
139.11201	1.7
149.02301	1.0
149.05997	1.4
149.09612	3.0
149.13257	6.4
151.03960	1.7
152.04666	2.3
167.03421	0.9
167.07056	19.8
167.08914	2.5
167.10649	3.6
167.14325	42.4
168.14659	1.3
185.50027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.4
56.59394	0.3
59.05006	3.6
59.96719	0.9
61.01148	2.1
63.00731	1.4
65.15642	0.2
68.93765	0.3
70.05428	0.9
72.55265	0.2
73.01144	100.0
74.01496	0.7
74.01926	3.0
75.00723	3.0
75.02316	0.2
75.02705	5.6
76.01499	3.0
78.96773	3.1
82.94313	0.4
89.04266	0.9
90.85783	0.3
91.02189	0.6
92.02983	0.5
92.98336	3.4
93.03761	2.0
94.02554	0.4
97.18434	0.3
99.75901	0.3
106.97905	4.7
106.99883	15.6
108.92419	0.5
125.00942	1.3
128.25864	0.3
147.93755	0.3
160.56035	0.3
167.05647	2.8
167.06998	0.5
167.10742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90655	0.4
53.00320	0.4
54.19051	0.4
55.01889	0.5
55.05491	0.5
58.99591	1.2
59.05008	4.4
59.57977	0.4
59.96721	1.1
61.01160	0.9
63.00730	0.5
67.31758	0.4
69.07055	0.8
70.51263	1.1
70.99575	0.5
73.01146	100.0
73.91951	0.4
74.01495	0.7
74.01910	0.4
75.00723	1.3
75.02715	4.8
76.01506	1.2
78.04692	0.4
78.96793	2.6
79.05471	0.7
81.07072	0.5
83.04977	0.5
84.93057	0.5
84.93802	0.5
84.96059	0.6
91.05504	0.5
93.03768	1.5
93.07065	1.2
98.98499	0.7
102.94839	0.4
105.07036	0.8
106.97927	1.4
106.99886	16.1
107.04937	0.5
107.06133	0.4
107.08617	1.4
108.92425	0.5
111.02678	0.4
111.04481	0.7
121.01666	1.4
121.06549	0.6
121.07648	0.5
121.08467	0.9
121.10164	1.2
121.16759	0.3
125.00944	1.4
125.04254	0.5
134.93958	0.4
139.05814	1.3
143.96776	1.5
144.03310	1.1
149.02351	0.9
149.04227	0.5
149.07088	0.5
149.09566	0.4
167.03568	0.5
167.05522	3.6
167.07016	1.0
167.08447	0.6
167.10699	1.0
168.06514	0.5
169.15092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
58.99582	0.6
59.05005	4.4
59.96737	1.0
61.01163	0.3
69.03428	0.3
69.07074	0.3
70.80669	0.6
73.01146	100.0
74.01480	0.7
75.02708	5.1
78.96781	2.7
79.05504	0.5
81.07069	0.5
83.04972	0.4
84.96046	0.7
89.04281	0.4
91.02200	0.3
91.05508	0.3
92.98344	0.4
93.03745	1.8
93.07062	0.9
97.06512	0.4
99.45745	0.3
102.94848	0.4
105.07074	0.4
106.99884	16.4
107.08599	1.0
109.06538	0.3
111.02709	0.6
121.01698	0.8
121.02911	0.3
121.08484	0.4
121.10201	0.8
125.00913	1.7
125.04241	0.9
139.02759	0.3
139.05826	1.1
142.96735	0.3
143.96773	1.2
144.03285	0.4
149.02357	0.7
149.07172	0.4
149.09587	0.4
167.03468	0.5
167.05530	2.7
167.07045	0.8
167.08371	0.4
167.08974	0.3
167.10583	0.5
167.14322	0.5
168.06610	0.3
171.52969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03949	6.0
55.01888	4.8
55.05515	83.3
56.28498	0.8
57.03429	3.1
57.07080	4.0
58.99579	1.1
59.05000	9.4
61.01140	2.0
65.03941	1.5
67.05508	18.3
68.41795	0.7
69.03435	25.6
69.07072	12.1
69.53494	3.7
69.53912	2.5
71.04985	3.3
73.01142	6.5
75.00724	4.1
76.01587	0.8
78.04720	6.0
79.05502	14.6
81.03412	1.6
81.07063	21.5
83.04988	100.0
83.08625	37.6
83.09120	2.0
84.05315	1.4
84.96070	0.8
85.06540	8.5
89.04249	3.5
91.02183	5.2
91.05484	7.8
92.98338	6.9
93.01783	6.0
93.03400	0.8
93.07048	14.9
95.04971	5.4
95.08612	11.5
96.59832	0.8
97.01128	1.6
97.02889	1.8
97.06546	5.4
97.10174	9.8
98.98514	1.0
99.08094	2.7
101.79598	0.9
105.07023	6.0
106.04176	2.6
107.04961	7.4
107.08601	19.3
108.92402	1.7
109.02866	2.9
109.06512	6.1
109.09446	1.6
109.10162	19.2
111.02702	4.0
111.04442	3.0
111.08090	26.6
112.08867	6.4
113.09640	1.8
119.08574	1.5
120.08123	1.4
121.01663	3.1
121.02882	1.3
121.06518	3.3
121.07674	1.7
121.08449	7.6
121.10155	18.9
122.03646	1.1
122.06059	1.2
123.04424	11.4
123.08095	2.7
123.11719	7.8
124.05221	4.8
125.05988	5.8
125.09637	16.5
131.08571	1.5
134.03651	2.6
135.04413	4.8
139.02107	2.1
139.03986	1.7
139.07545	4.0
139.11154	1.6
141.75818	0.9
142.96735	1.2
143.96747	1.3
144.03238	1.8
146.54448	0.9
149.02341	2.3
149.05974	1.7
149.07054	1.1
149.09648	6.2
149.13301	6.0
150.05516	1.6
150.09232	1.0
151.03952	2.3
152.04672	3.9
152.06145	0.8
161.33083	0.9
166.94566	1.0
167.01653	4.1
167.03413	3.1
167.07060	47.4
167.08484	4.3
167.10651	6.7
167.14331	39.6
171.89386	0.9
186.72792	0.9
189.87918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
55.01878	4.7
55.05513	95.0
57.03429	4.2
57.07064	4.2
58.99566	1.1
59.05005	11.9
65.03931	2.2
67.05508	19.8
69.03078	1.3
69.03435	24.9
69.07072	12.1
69.98630	1.9
69.99039	3.4
71.04988	4.1
73.01138	1.0
73.06538	1.4
78.04709	3.5
79.05494	19.8
81.03407	1.5
81.07061	19.5
83.04983	100.0
83.08621	41.7
85.06543	7.9
91.05480	9.3
92.98309	1.4
93.07046	24.0
95.04969	3.9
95.08605	10.8
97.02864	1.2
97.06531	8.3
97.10168	12.9
99.08089	2.1
105.07039	9.7
106.04178	1.1
107.04971	5.7
107.08604	28.4
109.02909	1.4
109.06551	4.4
109.10161	21.6
111.04436	1.9
111.08084	28.0
112.08875	6.1
113.09624	4.5
113.61639	1.0
116.98275	1.0
121.01646	2.0
121.02835	0.9
121.06514	6.9
121.08470	4.8
121.09298	1.6
121.10152	23.7
122.06023	1.9
123.04424	6.9
123.08073	2.5
123.11705	9.0
124.05228	3.0
125.04214	1.8
125.05933	1.1
125.09634	17.4
131.08548	3.2
138.06606	0.9
139.07539	3.1
139.11194	1.5
149.02379	2.0
149.05991	1.7
149.09631	7.5
149.13269	5.6
150.05493	0.9
151.03906	1.1
152.04698	2.2
166.94655	1.3
167.03424	2.5
167.05444	2.2
167.07043	29.2
167.08414	1.3
167.10669	6.4
167.14320	40.4
168.10185	1.4
170.68657	0.9
183.80385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66528	0.5
55.05511	1.0
58.99582	2.4
59.96729	1.2
61.01156	17.4
63.00733	4.5
67.41511	0.6
69.07051	0.9
70.45470	2.2
70.99596	0.8
73.01149	28.9
74.01532	1.1
74.01929	8.1
75.00728	10.3
75.02700	1.3
76.01507	6.5
78.96774	2.9
79.05496	1.8
80.96394	0.7
85.01141	2.0
87.02696	1.3
89.04264	38.5
91.05506	1.2
92.02934	0.7
92.98337	100.0
93.07057	2.4
94.02557	0.9
95.04961	0.7
101.16812	0.6
104.98349	0.8
106.97900	10.2
107.08612	1.4
108.92379	1.6
110.93970	1.9
118.94322	0.8
118.99872	9.8
121.01440	6.3
121.06480	0.8
121.08443	0.8
121.10160	2.6
123.04429	0.7
143.96671	0.9
149.02313	0.6
149.09671	1.1
163.03957	0.7
167.00255	0.7
167.03426	0.8
167.05281	0.8
167.07097	1.5
167.10681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71393	0.9
54.45121	0.9
55.01865	1.3
55.05512	2.0
58.99577	3.9
59.96714	1.4
61.00880	1.1
61.01155	14.4
69.07061	1.3
69.64316	3.1
69.64719	1.7
73.00777	1.4
73.01147	16.7
75.02694	1.2
78.96770	3.7
79.05490	2.1
81.07031	1.0
84.93790	1.0
84.96020	1.8
85.01121	2.0
87.02687	1.6
88.42306	0.9
89.04258	38.4
89.23982	0.8
91.05500	1.6
92.98333	100.0
93.07041	1.9
95.08643	0.9
103.05438	0.9
107.08614	2.6
108.92386	4.0
110.93963	1.2
118.99873	8.4
121.01458	7.4
121.02882	1.0
121.08478	2.0
121.10168	1.9
125.04245	1.5
135.04398	2.7
139.05765	1.9
139.07603	1.2
143.96732	2.7
144.03256	2.0
149.02383	2.2
149.09599	1.0
167.00148	1.4
167.03479	1.4
167.05180	1.9
167.07030	2.8
167.08411	1.1
167.10672	1.2
176.88177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
58.99588	2.4
59.96733	1.4
61.01157	16.0
66.86201	0.6
67.05499	0.8
67.35784	0.6
69.52505	4.8
73.01150	17.5
75.02702	1.6
78.96783	2.6
79.05491	1.4
81.07072	0.8
85.01118	1.7
87.02689	0.7
89.04263	41.4
90.18751	0.6
91.05498	1.2
92.98336	100.0
93.07048	1.2
93.98739	0.8
94.07371	0.6
94.70151	0.7
95.04993	1.6
97.06548	0.9
98.06062	0.7
106.97894	0.8
107.04941	1.0
107.08619	1.4
108.92380	1.2
110.93947	1.8
118.99875	9.4
121.01462	6.8
121.08447	1.0
123.04491	1.1
132.01810	0.8
142.83948	0.6
143.96771	1.3
149.02390	1.0
167.00160	1.6
167.03523	0.9
167.05321	0.8
167.07082	4.2
167.08405	1.3
167.10658	0.8
168.04919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1228
Annotation	Ferruginine
Peak:m/z	Relative Intensity
53.03932	0.6
55.01865	0.5
55.05503	0.8
56.96581	1.2
57.03430	0.7
58.98876	0.3
58.99571	1.0
61.01151	1.7
62.01469	0.6
67.05510	1.5
67.93568	0.4
68.05834	0.8
69.03412	0.4
69.07056	0.9
70.07402	0.2
71.55824	0.5
73.01148	2.9
74.01090	0.4
74.01469	1.2
74.01914	1.2
75.01879	0.3
75.02248	0.9
75.02633	0.3
78.96754	0.5
79.05502	2.0
80.05005	0.4
80.05822	0.6
81.07062	2.8
82.06566	0.4
82.07384	1.5
83.04952	0.3
83.08600	0.4
83.93050	2.6
85.06490	0.3
85.94609	0.4
88.39850	0.2
91.05482	1.7
92.05788	0.8
92.98302	0.3
93.05762	0.3
93.07044	4.7
94.06557	1.1
94.07365	0.6
95.04968	0.8
95.08589	0.7
96.05306	0.4
96.08115	0.6
96.08930	0.6
97.06535	0.4
97.72438	0.3
101.94067	1.0
102.94857	0.3
103.05492	1.7
103.95638	0.3
104.98323	1.3
105.07037	1.5
105.98672	0.4
106.07362	1.3
106.97897	0.4
107.04953	0.6
107.08602	1.8
108.01614	0.5
108.04445	0.5
108.08112	1.1
108.08870	0.5
108.92390	1.8
109.06508	0.4
109.08928	0.6
110.06042	1.5
110.06824	0.6
110.09691	2.1
115.96404	0.5
116.97208	0.8
118.06526	0.5
118.94363	0.4
119.01923	0.5
119.08564	0.6
119.95116	1.6
120.02026	1.1
120.05296	0.7
120.08116	15.6
120.08912	1.5
121.01672	0.3
121.06518	0.4
121.08393	0.4
121.10125	2.2
122.06015	1.1
122.10487	1.6
123.11693	0.3
124.07587	1.1
124.11230	1.3
124.12026	0.4
125.04107	0.3
125.08383	1.4
131.04932	0.3
136.07581	18.3
137.08377	5.2
138.03003	0.4
138.05499	0.5
138.09137	3.7
138.12756	0.8
139.54529	0.3
142.96704	11.9
143.03656	0.8
143.96695	0.3
148.04761	1.2
148.10992	0.2
148.12094	2.7
149.05986	0.3
149.09631	0.5
150.09152	0.6
151.03448	0.6
151.09932	26.5
152.10291	0.5
159.05614	0.3
164.10692	0.3
165.98267	1.3
166.05804	1.9
166.08632	3.3
166.12271	100.0
167.05266	0.4
167.07025	0.6
167.10623	0.3
167.12617	2.2
169.04500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01897	0.4
55.05520	0.5
65.03944	0.8
67.05515	1.1
69.07069	0.7
77.03896	0.6
78.04717	0.4
79.05493	6.1
79.05948	0.4
80.05025	2.6
80.05833	0.3
80.06281	0.8
81.03407	0.3
81.07066	0.7
83.93044	1.8
84.08167	0.3
84.93804	0.3
91.05487	6.6
92.05016	0.9
92.05817	0.6
93.07048	15.9
94.06583	1.8
94.07351	0.5
95.04971	3.4
95.08582	0.4
96.08124	0.6
97.02924	0.4
97.06555	0.8
98.20740	0.7
101.94099	0.9
103.05465	5.3
105.04546	0.9
105.05782	1.2
105.07012	0.4
106.06586	0.4
106.07372	0.3
107.04964	0.4
107.07342	0.3
107.08604	0.5
108.04529	0.3
108.08900	0.3
108.92414	0.7
109.06530	0.5
110.06096	1.3
110.09713	0.3
115.96480	0.3
116.97219	0.3
118.06551	1.0
119.01992	0.3
119.95116	0.6
120.02056	0.9
120.08112	100.0
121.08385	1.5
121.10187	0.4
122.09679	1.0
123.04435	0.3
136.07608	0.4
138.05524	0.7
138.09145	47.5
139.09514	1.0
142.96700	5.6
143.03578	0.5
148.04774	1.0
148.07541	0.5
148.11992	0.4
154.66269	0.3
161.04843	0.3
166.03212	0.7
166.05009	1.1
166.08641	46.0
167.07062	2.0
167.08893	1.0
167.10437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	D-Phenylalanine
Peak:m/z	Relative Intensity
51.02386	0.4
53.03955	2.7
55.01888	0.4
55.05510	1.4
56.56940	0.3
64.53041	0.3
65.03963	0.7
67.05524	1.4
69.03424	0.4
69.07072	0.7
69.56870	2.1
71.98299	0.3
73.01167	0.3
77.03944	0.7
79.05495	6.5
80.05022	3.3
80.06281	1.3
81.03430	0.6
81.05809	0.4
81.07058	0.6
82.07393	0.4
83.04990	2.1
83.08612	0.4
89.95060	0.3
91.05486	7.7
91.12625	0.3
92.05013	1.1
93.07048	15.3
94.06576	2.1
94.07404	0.6
95.04978	3.3
95.08627	0.4
96.05254	0.4
96.08155	0.7
96.08942	0.4
97.06520	0.5
98.21465	0.6
103.05475	4.4
105.04536	0.9
105.05784	1.3
107.07339	0.3
107.08614	0.7
108.08951	0.4
109.06564	0.5
110.06039	1.2
118.06544	1.5
119.07306	0.5
120.08115	100.0
121.08391	1.6
121.10152	0.3
122.09666	0.7
122.10513	0.3
126.12048	0.3
138.09148	47.5
139.09482	1.1
142.96724	0.5
148.04771	0.8
148.07523	0.5
159.00133	0.3
161.10754	0.3
166.08635	39.7
167.07040	0.8
167.09039	0.6
167.14334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	D-Phenylalanine
Peak:m/z	Relative Intensity
53.03950	3.1
53.59621	0.2
65.03958	0.3
66.03461	0.3
67.05511	0.9
68.05014	0.4
69.07068	0.5
70.89658	0.6
73.01138	0.4
77.03929	0.6
78.04728	0.4
79.05496	5.9
79.05958	0.3
80.05018	2.2
80.06271	1.1
81.03438	0.3
83.93040	0.6
88.65044	0.2
91.05489	7.0
92.05013	1.0
92.05801	0.2
93.07050	15.5
94.06573	1.9
94.07442	0.3
95.04974	3.3
96.04497	0.4
96.08125	0.7
96.09042	0.3
97.06544	0.8
103.05473	4.5
105.04514	0.8
105.05787	1.2
107.04956	0.4
107.07326	0.4
107.08655	0.2
108.92374	0.4
110.06054	1.2
118.06535	1.6
120.08109	100.0
121.06499	0.3
121.08415	1.5
122.09678	0.7
138.09143	49.0
139.09470	1.2
142.96710	1.2
148.04836	0.5
148.07513	0.5
153.31584	0.3
166.04958	0.7
166.08644	42.0
167.07051	0.6
167.08931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03934	3.3
55.01872	4.5
55.05514	6.1
56.04533	1.1
56.96542	1.6
57.03444	6.7
57.07060	2.2
58.99570	4.9
59.96721	1.9
61.01151	23.1
62.99060	2.2
65.03914	2.7
67.05506	40.9
69.03419	4.2
69.07071	11.0
70.15181	2.5
70.15569	2.2
70.99570	3.5
71.04981	2.8
72.00331	1.7
73.01144	48.2
74.01926	33.9
75.02700	1.9
77.03905	1.3
78.96764	1.5
79.05491	37.1
80.94707	3.0
81.07057	80.5
82.07387	1.6
83.04986	9.2
83.08615	2.0
83.93050	2.2
85.01114	3.7
85.06553	6.9
89.00609	4.0
90.01388	3.4
91.02177	2.2
91.05480	52.9
92.02975	2.2
93.03727	1.1
93.07045	44.6
94.96241	2.6
95.04961	13.8
95.08610	24.5
97.06528	10.2
99.02671	1.9
100.03428	2.3
101.00857	2.9
101.04245	3.6
103.05448	2.0
104.98323	28.8
105.04601	1.3
105.07033	69.8
106.07384	1.6
107.01321	9.7
107.04948	1.4
107.08600	26.7
107.55701	1.2
109.06515	17.0
109.10140	5.9
117.06972	1.7
118.06546	1.6
119.01928	15.6
119.04934	10.8
119.08584	56.3
120.02055	1.3
120.08099	4.9
121.10146	69.0
122.03664	14.6
123.08066	7.2
123.11727	8.9
132.00604	2.1
134.59259	1.2
135.04445	1.8
136.07590	3.2
137.02945	3.3
137.08421	2.3
137.09592	5.2
142.03546	7.4
142.04512	1.3
142.96677	4.7
145.10124	3.3
147.04411	23.9
147.11691	100.0
150.03120	18.1
151.09921	6.5
155.32190	1.4
160.04608	2.8
164.98729	3.2
165.04216	3.2
165.05484	58.8
165.09105	4.8
165.12756	91.6
166.12254	24.2
168.04175	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	166.0865
Annotation	D-Phenylalanine
Peak:m/z	Relative Intensity
50.83697	0.4
50.99410	0.3
53.03951	2.2
55.01873	0.6
55.05528	0.9
65.03937	0.5
66.34276	0.4
67.05508	1.2
68.17266	0.4
69.03435	0.5
69.07072	0.7
71.26053	0.6
77.03938	0.5
78.04755	0.7
79.05499	4.3
80.05031	2.0
80.06283	1.0
81.07058	0.6
83.93075	1.6
84.08173	0.5
86.25645	0.4
91.05489	5.9
92.05013	0.8
92.05764	0.5
93.05838	0.5
93.07052	13.5
94.06577	1.4
95.04986	2.9
95.08577	0.6
97.02905	0.5
97.06541	1.1
103.05482	5.7
105.04546	0.7
105.05799	0.8
105.07011	0.6
106.06590	0.5
107.04994	1.0
107.08614	0.6
108.04504	0.7
109.06502	0.5
110.02447	0.8
110.06036	1.1
118.06508	1.0
119.01997	0.5
120.02065	1.0
120.08112	100.0
121.06519	0.6
121.08470	1.5
121.10117	0.8
123.04441	1.0
125.02376	0.5
131.04955	0.8
138.05501	0.8
138.09145	40.6
139.09503	0.7
142.96713	4.8
143.03613	0.8
148.04791	2.3
148.07570	1.4
166.04962	1.1
166.08635	40.8
166.96457	0.5
167.07063	3.7
167.10683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03966	0.6
55.05511	4.3
56.18323	0.5
58.99590	1.1
59.05018	0.5
61.01155	11.2
61.01454	0.8
64.09533	0.4
64.41675	0.4
67.05512	1.9
69.07056	2.2
70.99591	0.7
71.16837	0.9
72.00366	0.9
73.01143	7.5
73.01533	0.6
74.01933	2.9
75.02697	1.1
79.05497	2.8
79.40025	0.3
81.03432	1.5
81.07059	4.7
83.04983	0.5
83.08633	3.2
85.06552	0.5
86.25245	0.5
89.00623	11.7
90.01409	11.9
91.05504	2.3
93.07050	2.1
95.04974	100.0
95.08612	3.0
96.05318	1.6
97.06525	0.5
101.00889	0.6
104.64529	0.4
104.98324	4.2
105.07018	3.6
106.97934	0.5
107.07880	0.6
107.08598	7.9
109.06524	19.0
109.10163	1.0
113.04100	0.4
117.88643	0.4
119.01952	2.7
119.04926	2.5
119.08568	1.9
120.08095	1.4
121.10163	1.8
122.03688	1.6
122.99379	2.4
123.08024	0.6
123.11706	1.6
137.02954	0.7
137.05978	0.8
137.09619	1.1
137.13286	1.3
142.03503	1.4
142.96686	1.1
147.04420	4.5
147.11694	8.4
150.03148	1.3
153.31773	0.4
164.94971	0.7
165.02155	0.7
165.04292	0.5
165.05502	5.4
165.09100	1.7
165.12762	51.6
166.12144	0.8
166.13272	0.7
168.04207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03939	4.5
54.44298	0.9
55.01871	2.8
55.05305	0.8
55.05515	10.4
57.03430	4.7
57.07065	4.6
58.99590	2.3
59.04990	3.5
60.93880	1.0
60.99151	1.4
61.01148	6.6
63.00724	4.4
65.03935	3.5
67.05510	39.2
69.03434	10.1
69.06779	0.9
69.07081	11.1
71.04984	2.0
71.54412	1.6
73.01150	20.0
74.01480	1.0
75.00729	15.4
75.02689	1.6
79.05501	19.1
81.03426	8.1
81.07063	37.6
83.04993	5.4
83.08617	4.6
85.06535	2.3
89.00619	2.1
91.02193	1.6
91.05489	38.3
92.05805	2.3
93.01777	1.0
93.07051	15.4
94.06509	1.1
95.04974	56.7
95.08612	37.0
97.06555	1.8
101.00876	4.0
103.05465	5.2
105.07040	28.1
106.97910	9.6
107.04964	5.0
107.08597	47.9
107.98693	2.4
108.05766	2.1
108.08914	1.4
109.02885	1.7
109.06529	30.5
109.10144	8.9
110.07270	1.7
117.07028	4.7
119.01934	24.5
119.04954	34.3
119.08588	47.6
120.08113	21.3
120.08939	2.2
121.06512	3.2
121.10152	14.9
122.07303	2.2
123.04465	4.8
123.08071	44.3
123.10832	1.6
123.11707	25.9
124.02470	1.5
129.06993	2.5
131.04875	1.3
132.05705	3.6
133.02853	3.6
136.08850	1.7
137.03023	6.6
137.05980	7.7
137.09637	11.1
137.13263	7.3
138.09126	3.0
142.03505	14.6
142.96671	2.4
147.04425	60.6
147.08060	21.9
147.11699	16.4
147.94711	6.2
150.10451	1.2
160.04568	3.1
164.95036	10.4
165.01854	2.4
165.04233	1.4
165.05504	5.8
165.06712	1.1
165.09125	24.1
165.12769	100.0
166.05000	1.9
166.08650	3.1
166.13187	2.4
177.81535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03953	5.5
55.01865	2.5
55.05261	1.2
55.05514	13.6
55.60878	0.9
57.03426	3.6
57.07079	6.4
58.99576	2.2
59.04997	3.0
60.99147	1.1
61.01156	11.0
62.99092	1.0
63.00711	2.2
65.03936	3.6
67.05173	1.6
67.05507	20.9
69.03436	16.9
69.07080	11.1
70.99594	1.2
71.04992	2.7
71.08617	1.2
71.56127	1.1
73.01144	29.7
74.01543	1.0
74.01930	12.2
74.90166	0.9
75.00724	7.6
77.03916	1.5
77.20580	0.9
78.96748	0.9
79.05491	16.7
80.05028	1.2
81.02983	1.8
81.03425	21.0
81.07063	38.0
83.04984	4.6
83.08612	3.3
83.93043	2.6
85.01107	1.3
85.02923	1.2
85.06554	2.5
89.00636	1.5
91.02173	3.2
91.05482	35.4
92.05859	0.9
93.07056	13.8
95.04976	26.4
95.08611	29.5
97.01096	0.9
97.06512	2.7
99.02677	4.0
101.00881	4.2
101.02248	1.4
103.05460	3.9
104.98322	9.8
105.03377	1.4
105.07036	17.4
106.97913	5.8
107.01318	3.7
107.04948	2.2
107.08604	18.4
107.98662	2.3
109.02893	1.6
109.06523	28.6
109.10159	16.5
110.07295	1.3
110.60400	1.1
113.04261	2.5
113.94878	1.1
114.04999	3.8
115.03808	2.1
116.04572	4.1
117.05761	1.2
117.07015	1.8
117.99080	1.8
118.00089	0.9
118.06555	1.7
119.01932	24.6
119.04951	36.6
119.08589	19.9
120.08114	31.5
121.06530	2.0
121.10156	12.3
122.03660	8.1
122.07276	3.0
123.04428	3.7
123.08076	25.5
123.11704	14.1
133.02847	4.1
133.06607	1.2
135.04436	1.4
135.08037	1.3
135.11711	1.0
137.02998	10.9
137.05989	9.1
137.09621	15.8
137.13237	3.7
138.09114	3.8
142.03511	18.7
142.96710	6.5
147.04416	58.6
147.08060	2.7
147.11684	12.3
147.94687	2.9
148.04843	1.1
150.03133	4.9
150.06715	1.2
150.10417	1.3
160.04559	4.9
164.07140	1.3
164.95001	5.2
165.01877	4.2
165.05508	35.4
165.06985	3.3
165.07640	1.0
165.09111	21.7
165.12761	100.0
166.08603	6.8
166.13158	1.8
168.04221	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
50.17432	0.2
51.02372	0.5
53.03948	1.9
55.01867	0.6
55.05507	0.5
59.96752	0.2
61.01154	2.5
65.03914	0.4
67.05518	1.5
69.03423	0.5
69.07059	0.4
69.30849	2.4
71.02090	0.3
72.32211	0.3
73.00783	0.3
73.01154	3.7
74.01924	1.9
75.02345	0.7
77.03934	1.0
78.04710	0.4
78.96783	0.3
79.05502	4.8
80.05007	0.3
81.03419	0.8
81.07055	1.7
83.05002	0.4
85.01137	0.4
86.55667	0.3
89.00605	0.9
90.01395	0.9
91.05486	3.5
92.02598	1.5
93.07036	0.8
94.04189	0.6
94.06560	0.7
95.04984	5.2
95.08613	0.7
98.20776	0.4
101.00864	0.7
103.05457	0.5
104.05023	0.3
104.98320	1.6
105.03402	1.3
105.04507	0.7
105.07022	0.8
106.06553	0.3
107.01323	14.5
107.04964	2.6
107.08604	0.6
109.06528	2.8
109.10162	1.2
116.98337	0.5
117.99118	0.5
118.06557	4.9
119.01168	0.3
119.01945	3.8
119.03596	0.2
119.04958	4.6
119.07318	0.4
119.08555	1.2
120.02088	0.9
120.08115	3.7
121.02887	0.4
121.98725	0.3
122.03661	28.3
122.07291	0.6
123.04461	0.5
123.08051	0.6
125.02386	0.4
125.06020	0.8
134.06033	0.4
135.04451	2.9
135.05464	0.6
137.03026	1.5
137.06024	1.5
137.09624	1.8
142.03511	2.4
142.96704	1.4
146.06038	0.5
147.04422	7.4
147.08052	0.5
147.11707	0.6
147.94661	0.4
150.03137	24.3
150.05583	0.9
151.03546	0.3
160.04568	0.9
164.07088	4.4
164.95024	0.9
165.05492	100.0
165.09016	3.2
165.12727	1.2
166.05901	1.9
168.04196	23.4
169.04541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
50.01611	0.4
51.02373	0.5
53.03949	2.8
55.01876	0.4
55.05507	2.5
57.03423	0.7
57.07077	0.6
58.44404	0.4
58.99586	0.8
61.01144	1.3
63.00714	0.6
65.03940	1.4
66.04736	0.5
67.05509	4.2
69.03439	2.7
69.07069	1.3
69.96069	0.3
71.03866	0.5
71.04202	0.6
71.04951	0.4
72.28166	0.4
73.01155	3.0
74.01913	0.6
74.34227	0.4
75.00751	0.9
75.02355	0.7
75.02727	0.5
77.03911	1.3
78.05237	0.4
79.05501	7.0
81.03427	3.4
81.07066	5.4
83.04971	1.0
83.08614	0.9
89.00607	0.7
89.29119	0.4
90.01398	0.7
90.43051	0.4
91.02180	0.9
91.05489	8.7
91.30557	0.4
92.02628	1.6
93.07071	2.4
93.44263	0.4
94.04172	0.7
95.04977	9.1
95.08602	4.4
97.06539	0.4
101.00883	1.2
103.05465	0.9
104.98319	0.9
105.03398	1.3
105.04506	0.5
105.07035	4.1
106.97900	1.1
107.01319	14.8
107.04964	3.9
107.08593	2.0
107.98665	0.4
109.02838	0.4
109.06533	5.2
109.10157	2.1
114.05015	0.4
116.98328	0.6
117.07004	0.5
119.01934	6.0
119.04958	10.5
119.08588	4.0
120.02066	1.1
120.08120	2.5
121.02923	0.5
121.06496	0.7
121.10176	2.4
122.03657	28.0
122.07285	0.9
122.99351	0.5
123.04415	1.4
123.08075	3.6
123.11718	1.6
124.02523	0.6
125.02370	0.5
125.06000	1.4
133.02856	1.1
135.04422	2.8
137.02974	1.7
137.05988	2.7
137.09633	4.8
137.13286	0.7
138.09161	0.4
142.03511	3.9
142.96690	1.9
147.04419	18.2
147.08058	1.3
147.11700	1.3
147.94710	1.7
150.03133	23.7
158.50642	0.4
160.04584	1.3
164.95012	3.4
165.05489	100.0
165.09108	5.5
165.12762	12.5
165.14145	0.8
166.05934	1.9
166.08633	0.5
168.04190	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
53.03946	2.7
55.01877	0.6
55.05495	1.8
56.25644	0.4
56.35649	0.5
57.03434	0.7
57.07069	0.6
58.99589	0.5
59.04993	0.6
59.43335	0.4
60.99155	0.4
61.01138	1.8
63.00725	1.1
65.03935	1.5
65.92822	0.4
67.05506	5.0
69.03432	4.6
69.07072	2.6
71.04985	0.5
71.30064	0.7
73.01141	5.3
74.01938	0.5
75.00712	1.9
75.02339	0.7
77.03924	0.6
79.05062	0.7
79.05495	7.9
81.03032	0.5
81.03438	4.3
81.07064	8.3
83.04972	1.2
83.08627	0.6
83.93066	0.4
85.06530	0.7
88.20030	0.4
89.00678	0.6
91.02165	3.0
91.05486	9.7
92.02612	1.9
93.07059	3.9
94.04195	0.6
95.04971	10.8
95.08611	5.4
101.00877	1.3
103.05485	0.8
105.03391	1.6
105.04519	1.0
105.07030	5.7
106.97900	1.6
107.01316	12.9
107.04958	3.8
107.08592	4.1
107.33428	0.5
107.98676	0.8
109.02908	0.6
109.06525	8.3
109.10164	2.8
110.07294	0.5
111.08111	0.5
117.07002	0.8
119.01138	0.6
119.01926	5.9
119.04946	10.3
119.08585	6.9
119.95266	0.4
120.02074	0.7
120.08131	3.4
121.06477	0.7
121.10127	3.0
122.03655	25.7
122.07263	1.2
123.04460	0.6
123.08076	6.9
123.11697	3.5
125.02416	0.6
125.06009	1.2
133.02850	1.3
135.04420	3.2
135.08073	0.7
137.03026	2.1
137.05978	3.0
137.07974	0.6
137.09621	6.3
137.13246	1.0
138.09129	0.9
142.03502	4.2
142.96758	0.9
147.04422	17.7
147.08064	2.4
147.11702	3.4
147.94730	4.2
150.03133	22.4
150.10385	0.4
152.14941	0.4
160.04575	1.4
164.94991	5.6
165.05484	100.0
165.09081	6.0
165.12784	22.2
166.05815	1.7
166.08592	0.6
168.04196	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.02378	0.3
52.31582	0.3
53.03952	2.6
53.09851	0.3
55.01860	0.4
55.05501	0.4
58.61095	0.3
61.01142	0.6
62.52497	0.3
65.03936	0.7
67.05505	1.6
69.07076	0.4
70.96731	0.6
73.01131	1.3
74.01911	0.4
75.00694	0.3
75.02369	0.6
77.03926	1.1
79.05501	4.6
81.03420	1.0
81.07063	1.7
83.93036	0.5
89.28124	0.3
91.02149	0.3
91.05470	3.4
92.02634	1.4
93.07047	0.6
94.04176	0.7
95.04980	5.2
95.08606	0.7
101.00899	1.0
103.05423	0.4
105.03373	0.8
105.04523	0.6
105.07030	0.5
107.01318	13.0
107.04971	3.0
109.06559	2.8
109.10148	1.3
110.97696	0.3
117.99072	0.6
118.06551	0.6
119.01931	4.7
119.04940	5.0
119.08573	1.6
120.02068	0.6
120.08127	1.6
121.02909	0.4
122.03655	26.6
122.07260	0.8
123.04459	0.5
123.08077	0.7
125.05996	1.2
135.04440	2.0
137.03029	1.6
137.03905	0.3
137.06004	1.5
137.09641	1.6
142.03502	2.7
142.96700	1.4
147.04410	8.9
147.08043	0.7
147.11697	0.4
150.03127	24.6
151.03455	0.7
160.04579	1.0
164.07053	1.0
164.95056	0.6
165.05484	100.0
165.09128	3.8
165.12769	1.1
166.05858	2.0
168.04182	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	165.0548
Annotation	Methyl p-formylbenzoate
Peak:m/z	Relative Intensity
51.02391	0.3
53.03955	1.5
55.01871	0.3
60.37047	0.2
60.94419	0.2
65.03933	0.4
66.04710	0.3
70.73458	0.6
72.40963	0.3
74.19045	0.3
75.02367	0.5
77.03941	1.0
79.05497	4.7
81.03408	0.4
83.93015	0.2
86.17002	0.2
91.05477	0.6
92.02636	1.4
94.04195	0.6
95.04987	2.5
101.00880	0.4
105.03397	0.9
105.04510	0.8
107.01324	13.0
107.04961	2.7
108.01650	0.3
109.06541	1.7
119.01914	1.0
119.04948	0.8
120.02090	0.8
121.02883	0.3
122.03660	25.6
125.06026	1.0
135.04440	3.2
135.05447	0.5
137.06004	0.5
142.03484	0.6
142.96698	0.4
147.04408	1.5
147.06705	0.2
150.03137	28.0
151.03532	0.4
165.05487	100.0
166.05832	1.8
168.04196	18.6
169.04553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.78917	0.4
53.03951	3.3
54.43676	0.5
55.05502	1.9
57.07079	0.7
59.04950	0.4
59.65004	0.5
61.01140	1.3
63.00731	0.8
63.02677	0.6
65.03938	1.5
67.05511	4.8
69.03430	3.5
69.07076	2.8
69.33563	4.8
70.74163	0.5
73.01151	4.2
75.00738	2.4
75.02360	0.8
76.15983	0.5
77.03928	1.1
78.48565	0.4
79.05502	7.9
81.03429	4.7
81.07059	7.8
83.05014	1.2
83.93040	0.6
84.68359	0.6
91.02193	3.3
91.05481	10.2
92.02625	0.9
93.07040	2.7
95.04976	12.2
95.08605	6.0
97.06500	0.6
101.00872	1.6
103.05494	1.3
104.36620	0.6
105.03387	0.9
105.04549	0.7
105.07041	6.0
106.97884	1.7
107.01321	13.5
107.04964	3.5
107.08603	4.7
107.98707	1.1
109.06526	8.5
109.10170	2.7
117.07018	0.8
119.01933	7.0
119.04953	10.0
119.08604	5.8
120.02094	1.2
120.08105	2.7
121.06548	0.7
121.10168	3.4
122.03658	23.9
122.07285	1.0
123.04423	1.6
123.08086	6.3
123.11714	3.4
125.05988	1.7
126.30710	0.5
133.02864	1.6
135.04434	2.6
135.05399	0.6
137.02968	2.2
137.06009	3.3
137.07959	1.1
137.09637	8.8
137.13243	0.9
142.03522	4.0
142.96732	1.2
147.04428	19.2
147.08086	1.7
147.11702	3.4
147.94722	3.5
150.03127	22.0
150.06694	0.7
151.06729	0.5
152.49838	0.5
160.04544	1.3
164.95003	6.1
165.05487	100.0
165.09128	6.5
165.12769	24.3
166.05847	1.4
166.08539	0.8
168.04198	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	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09086	0.4
57.42086	0.4
64.15440	0.5
69.97574	1.0
69.97984	1.6
77.95041	0.4
82.01443	0.5
82.99411	0.6
82.99846	3.2
100.02498	1.1
101.00886	37.4
118.03507	0.5
119.01926	100.0
120.02001	1.7
121.02352	0.5
124.02458	6.6
137.02960	21.6
142.03506	66.9
143.03619	1.2
146.60808	0.5
154.38766	0.4
156.05014	0.9
160.04575	14.4
165.05153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.1
66.08553	0.4
70.79784	1.4
70.99862	0.9
77.71070	0.5
82.01468	0.8
82.99854	2.5
91.05487	0.6
95.04971	2.0
97.85673	0.6
98.97556	0.5
100.02468	1.7
101.00886	37.2
102.00959	0.9
113.15352	0.5
115.02429	0.5
118.03509	0.6
119.01927	100.0
119.04945	1.7
120.02036	2.6
120.08111	0.8
123.04442	2.8
124.02456	7.1
133.03471	1.4
137.02962	21.8
138.03085	0.8
142.03508	68.6
143.03658	2.3
147.04416	0.7
151.18394	0.5
156.05127	0.6
160.04575	14.9
161.03017	0.7
165.05142	1.4
166.08597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73343	0.4
56.96568	2.2
65.63364	0.5
70.26909	0.4
71.48291	0.4
71.48647	0.6
82.99830	3.8
84.08170	0.5
91.05486	0.7
95.04954	1.2
98.97527	0.5
100.02489	0.7
101.00882	35.1
102.00974	0.8
119.01924	100.0
119.04940	1.3
120.02029	1.5
120.08122	0.5
123.04433	1.4
124.02451	6.8
133.03458	0.7
137.02959	19.3
138.03009	0.9
142.03503	69.4
143.03639	1.7
147.04410	0.9
156.05069	0.4
160.04562	14.4
161.04729	0.4
165.05154	1.0
176.13438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30843	0.7
57.51981	0.8
58.99593	7.2
59.04986	0.9
59.96733	2.7
61.01158	37.9
61.76630	0.7
62.99077	2.6
67.05536	1.2
70.99577	3.3
72.00347	0.9
73.01150	100.0
74.01930	74.5
75.02715	2.1
78.96790	3.1
80.94699	6.0
81.07058	1.0
89.00618	0.7
91.02193	2.3
91.05505	2.0
92.02966	7.6
93.03762	2.9
95.04980	1.5
101.00894	1.6
102.96732	0.7
104.98328	53.3
105.98679	0.7
119.01941	2.9
119.04966	3.3
142.03528	2.5
142.96823	1.1
147.04399	4.3
150.03137	1.5
165.04092	2.7
165.05505	3.3
168.04152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99593	7.6
59.96741	2.0
61.01157	36.5
62.99079	2.6
70.74414	2.3
70.99586	2.5
72.00381	0.9
73.01147	100.0
74.01928	68.6
75.02722	2.6
76.03005	0.7
78.96790	4.0
80.94708	4.9
85.01113	0.9
89.00651	1.0
91.02190	1.6
92.02983	7.5
93.03741	1.6
103.05487	0.7
104.98325	49.5
105.07095	0.8
109.06519	0.8
119.01953	1.3
119.04961	1.4
122.99370	1.0
123.04475	1.1
136.47495	0.8
138.39067	0.7
142.03572	1.5
147.04468	2.2
150.06790	1.2
151.38660	0.8
165.04092	2.7
165.05447	1.7
165.09175	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01865	0.7
55.05513	3.7
57.03439	0.6
58.99590	0.9
59.96738	2.3
60.99178	0.5
61.01156	2.5
62.99076	1.5
63.00729	1.3
65.03946	0.8
67.05508	3.4
69.03419	0.6
69.07069	1.0
71.55272	0.5
73.01146	63.0
74.01508	0.8
74.01926	1.7
75.00732	2.8
77.02300	0.4
79.05502	3.6
81.03432	1.1
81.07061	4.5
83.05012	0.6
83.08624	0.9
83.93027	0.6
85.06524	0.5
86.86122	0.3
89.00605	0.9
91.02186	100.0
91.05488	8.0
92.02504	0.4
93.07053	2.1
95.04985	4.3
95.08615	4.1
97.06514	0.4
101.00900	1.4
101.27135	0.3
103.05465	2.9
104.06288	0.4
104.98305	1.5
105.03428	0.5
105.07037	7.3
105.76219	0.4
106.97918	2.0
107.04948	1.6
107.08598	2.8
107.98695	0.8
109.02895	0.6
109.06536	3.1
109.10173	2.3
110.58360	0.4
117.06975	0.6
118.04166	0.6
119.01925	7.7
119.04951	11.2
119.08601	4.7
119.95152	0.4
120.08117	5.3
121.06532	2.1
121.09392	0.4
121.10132	1.6
122.03673	0.8
122.07340	0.7
123.04456	1.4
123.08092	3.6
123.11726	1.1
124.02370	0.3
133.02901	1.4
133.06505	3.2
134.07291	3.2
135.04434	2.3
135.08060	1.5
137.03001	2.0
137.06004	2.7
137.09642	2.9
138.09123	0.9
142.03508	4.6
142.96732	1.7
147.04419	20.2
147.08052	1.2
147.11723	2.2
147.94717	1.9
148.04802	0.5
149.05991	0.4
150.03128	0.5
150.05687	0.6
150.06770	7.1
160.04575	1.7
164.95026	3.0
165.01935	0.8
165.04047	3.1
165.05475	3.4
165.07005	0.8
165.09114	18.4
165.12798	5.0
166.08669	1.1
168.04195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
58.99586	7.2
59.04990	0.9
59.96725	3.3
61.01154	35.4
62.99086	2.5
67.05500	1.9
69.07049	0.5
70.75465	0.5
70.99578	3.1
71.09581	0.8
72.00356	0.7
73.01144	100.0
74.01925	67.8
75.00704	0.6
75.02328	0.7
75.02712	3.3
78.96783	3.0
79.05508	1.3
80.94699	5.2
81.07066	1.9
83.01891	0.5
83.93049	0.7
89.00622	1.0
91.02219	2.8
91.05504	3.2
92.02969	7.0
93.03755	2.1
93.07059	0.9
95.04967	1.7
95.08617	1.4
101.00892	1.5
104.98321	50.7
106.97845	0.5
107.01344	0.6
109.06498	0.9
109.10149	1.3
115.31617	0.4
117.99133	0.5
119.01923	4.5
119.04944	4.5
119.08618	1.6
120.08115	1.4
122.03716	1.3
123.08101	0.6
137.03021	1.3
137.05989	1.0
137.09650	1.8
142.03526	1.9
142.96730	0.8
147.04420	8.3
147.08060	0.8
147.94687	0.7
150.03166	1.4
160.04582	0.6
164.95079	1.3
165.01968	0.6
165.04059	2.3
165.05510	5.1
165.07005	1.4
165.09097	3.9
165.10208	0.5
165.12814	2.1
168.04213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
58.99589	6.7
59.05008	0.9
59.96737	2.4
61.01156	37.2
61.69650	0.5
62.99077	2.1
63.00716	0.6
65.03933	0.6
66.35677	0.4
67.05505	1.7
69.07056	0.6
69.31660	1.1
69.32076	3.7
69.96685	0.5
70.99574	4.6
72.00378	0.8
73.01147	100.0
74.01927	69.4
75.02316	0.9
75.02714	3.0
77.03898	0.5
78.96793	4.2
79.05492	2.6
80.94701	5.8
81.07046	2.4
83.05002	0.6
85.01126	0.6
89.00620	0.8
91.02174	2.0
91.05482	4.0
92.02975	7.5
93.03759	1.1
93.07040	1.8
95.04975	2.7
95.08597	1.4
101.00874	1.2
102.96763	0.6
103.05447	0.7
104.98324	51.1
105.07017	1.7
106.20948	0.5
106.97894	1.7
107.01323	1.8
107.04950	0.9
107.08563	0.6
109.06532	1.1
109.10186	1.2
116.98311	1.4
117.99084	6.4
119.01944	3.4
119.04953	5.6
119.07738	0.4
119.08582	1.9
120.08122	3.5
121.10197	0.6
122.03663	4.9
122.07301	0.5
123.08073	0.7
123.11687	0.5
133.02859	0.7
135.04422	0.9
137.02930	1.0
137.05975	1.1
137.09610	2.0
142.03488	2.1
142.96661	1.6
147.04425	10.1
147.08064	1.1
147.11690	2.1
150.03145	4.4
151.52835	0.5
157.44669	0.4
160.04640	0.6
164.94989	1.4
165.01825	0.6
165.04001	2.8
165.05472	19.0
165.06865	1.2
165.09108	3.7
165.11270	0.5
165.12735	1.6
168.04182	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	165.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73546	0.7
53.00298	0.9
56.71053	0.5
58.99588	7.5
59.05001	0.6
59.96725	2.3
61.01156	39.2
62.99076	1.6
67.25023	0.6
70.99601	3.3
71.45176	1.3
72.00382	1.0
73.01148	100.0
74.01928	68.7
75.02715	2.5
78.96779	4.7
80.94727	4.5
89.00616	1.0
91.02195	2.8
92.02975	5.6
93.03744	1.9
104.98328	49.1
118.99301	0.7
147.04433	1.7
165.04169	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	165.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99576	4.2
59.96723	2.7
60.44595	1.2
61.01157	92.7
69.83327	2.2
69.83736	4.2
70.99573	5.7
72.00365	9.2
73.01149	29.7
73.82554	1.1
74.01940	9.4
75.02718	7.4
89.00625	100.0
90.01407	95.2
91.02200	2.6
92.02939	1.1
104.98327	26.3
122.99365	21.6
147.04404	1.8
150.03120	1.7
152.67245	1.2
165.04109	5.4
165.05380	1.8
165.12735	1.5
184.33794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73389	0.6
55.05516	0.8
57.03423	0.9
58.99584	7.0
59.96737	3.3
60.23740	0.6
60.99183	0.8
61.01155	41.8
62.99076	1.9
63.00737	1.7
65.03984	0.8
67.05512	2.3
69.07062	1.6
70.99580	4.9
71.00848	1.8
72.00364	1.3
73.01146	100.0
74.01926	69.2
75.00713	1.9
75.02700	3.0
76.01515	1.5
78.96764	4.5
79.05508	2.5
80.94705	6.3
81.07070	2.1
89.00636	2.5
90.01394	2.4
91.02190	2.9
91.05481	5.2
92.01013	0.8
92.02973	8.7
93.03770	1.9
93.07050	0.9
94.71568	0.8
95.04981	4.5
95.08624	1.6
99.02708	0.9
101.00896	2.0
101.02249	1.1
102.96768	0.9
104.98322	52.5
105.07031	1.2
106.97916	1.4
107.01315	1.8
109.06528	1.9
113.04269	1.2
115.03831	1.2
117.99126	1.0
118.06568	1.2
119.01933	9.0
119.04957	8.0
119.08640	1.7
120.08144	3.3
122.03634	3.8
122.99373	0.7
123.04461	1.1
123.08125	0.9
135.04509	0.7
137.03018	1.4
137.06023	1.0
137.09683	0.9
142.03513	6.4
142.96706	3.4
147.04411	13.1
147.05476	1.2
147.08070	0.9
150.03139	3.9
160.04581	1.9
164.95023	1.5
165.04131	4.2
165.05518	12.7
165.09184	2.6
165.12801	2.6
166.12267	1.2
168.04178	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	165.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22979	0.7
53.03949	1.9
55.01886	0.9
55.05511	1.7
57.03434	0.7
58.99582	3.0
59.96736	3.3
60.18348	0.7
61.01155	100.0
63.16635	0.7
65.03941	0.9
66.77973	0.6
67.05510	5.1
69.03425	0.9
69.07058	0.9
69.75153	3.3
70.99581	2.7
72.00363	8.5
73.01147	21.4
74.01929	2.8
75.00724	0.9
75.02715	6.4
77.03883	0.7
79.05493	5.3
80.94708	0.8
81.03415	1.7
81.07075	5.2
82.06606	0.9
83.08643	0.9
85.01141	1.2
86.56358	0.6
89.00624	76.9
90.01405	71.0
91.02187	3.1
91.05483	11.1
93.07047	2.1
95.04971	14.4
95.08611	3.8
101.00888	2.5
103.03784	0.6
104.98322	15.7
105.07028	4.1
106.97900	1.3
107.01321	6.6
107.04973	2.4
107.08601	2.9
109.06514	6.6
109.10148	4.5
116.06599	1.1
118.06562	1.5
119.01933	14.0
119.04950	13.5
119.08593	4.6
120.08115	5.8
121.06477	0.8
121.10137	1.2
122.03658	13.3
122.07272	1.5
122.99359	23.8
123.04415	1.5
123.08074	2.2
123.11714	0.9
133.02876	1.4
135.04373	1.3
135.16765	0.7
137.03021	4.4
137.06012	3.7
137.09637	7.1
138.09113	1.0
142.03519	8.2
142.96712	4.1
147.03210	1.5
147.04411	24.2
147.08052	1.6
147.11694	4.0
147.94711	1.6
150.03130	13.9
150.05466	0.8
160.04597	3.2
164.07031	2.3
164.94997	2.6
165.01891	1.5
165.04068	4.6
165.05478	58.9
165.09123	11.6
165.12749	10.1
166.05891	1.2
166.08643	2.4
168.04204	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	165.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43680	0.5
55.01888	0.6
55.05527	0.9
56.32248	0.6
58.99596	7.6
59.05013	0.7
59.96733	2.5
61.01155	43.4
62.99080	2.5
63.00717	1.2
64.53733	0.7
67.05506	1.9
69.03422	0.7
69.07063	1.1
69.60571	3.5
70.99583	3.8
72.00397	1.1
72.50560	0.6
73.01147	100.0
74.01926	69.4
74.02354	1.6
75.00716	0.7
75.02704	2.4
77.04267	1.7
78.96795	2.6
79.05502	1.3
80.31828	0.6
80.94699	5.2
81.03472	0.9
81.07066	1.7
83.08638	0.6
85.01118	1.7
89.00621	9.1
91.02189	2.1
91.05486	4.5
92.02972	7.6
93.03767	2.1
93.07079	0.8
95.04981	2.7
95.08611	1.3
97.06516	0.6
101.00868	1.1
104.98322	48.0
105.07001	1.4
106.97919	1.5
107.01357	0.7
107.04971	1.1
109.06549	1.9
109.10153	0.8
116.98341	0.9
117.99116	1.8
119.01905	4.8
119.04956	6.2
119.08625	1.9
120.08154	2.1
122.03651	2.9
123.08099	0.9
133.02875	0.7
137.02988	1.3
137.05998	1.2
137.09631	1.9
142.03525	3.6
142.96661	0.9
147.04414	9.8
147.08064	0.6
147.94693	0.6
150.03183	2.9
160.04648	0.9
164.19600	0.6
164.95052	1.7
165.04045	2.2
165.05528	10.7
165.09106	4.1
165.12791	2.4
168.04233	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	1.0
53.03706	0.9
53.03950	11.4
55.01862	1.0
55.05505	9.0
57.07066	1.4
58.99584	1.8
61.48867	0.6
65.03925	1.1
66.66843	0.7
66.82522	0.6
67.05507	24.9
69.07072	10.8
71.55137	1.3
73.01134	2.1
77.03914	2.5
79.05497	58.5
80.05820	0.8
81.03400	1.3
81.07061	38.0
82.07388	0.8
83.08618	7.1
91.04954	1.1
91.05485	12.8
92.02631	3.3
93.07050	57.6
94.07343	1.3
95.04971	16.1
95.08611	36.8
96.08952	0.8
97.06555	1.2
97.10153	1.3
99.02692	1.5
103.05492	0.9
105.03390	5.1
105.04515	4.9
105.07019	5.6
106.06537	1.1
107.04945	2.7
107.08599	50.1
109.06496	0.9
109.10136	3.3
112.03484	1.1
113.04195	2.1
114.05055	0.8
117.07076	1.4
118.06518	1.2
119.04955	0.9
119.08620	3.3
120.02090	1.2
121.06544	1.1
121.10149	66.9
130.06554	2.0
132.08043	2.0
133.02855	25.8
134.03200	0.9
135.04427	25.0
135.07976	0.9
135.11696	6.4
136.04755	0.8
145.10127	2.6
163.03912	100.0
163.07579	2.6
163.08704	1.7
163.11163	12.2
163.14830	47.5
164.04221	2.8
164.15309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.41626	0.8
51.02378	2.0
53.03711	0.8
53.03951	12.9
55.01849	1.5
55.05307	0.9
55.05517	11.1
57.07063	2.4
58.99557	1.5
61.02920	1.0
65.03921	1.5
67.05508	31.5
69.07072	11.4
69.29642	7.6
73.01158	1.7
77.03921	2.3
79.05499	60.7
81.03407	1.3
81.07063	45.4
82.07375	1.4
83.08621	6.8
89.03912	1.1
91.02160	1.1
91.05484	13.9
92.02616	4.3
93.07052	63.0
94.07378	1.0
95.04976	17.0
95.08614	43.2
96.72758	0.9
96.77017	0.8
97.02864	1.0
97.06534	1.4
97.10162	2.1
99.02658	1.3
101.04247	2.3
105.03422	5.4
105.04507	5.4
105.07037	5.2
106.06554	0.9
107.04984	4.6
107.08601	56.9
108.08955	1.0
109.06516	2.1
109.10138	4.4
113.04248	1.7
114.05009	0.9
117.07015	2.4
119.06026	0.8
119.08587	3.7
120.68665	0.9
121.06522	1.2
121.10151	71.1
122.10484	1.4
130.06551	1.8
132.08086	1.9
133.02858	27.4
135.04430	28.5
135.08057	1.9
135.11722	7.8
136.04782	1.0
136.07538	0.8
145.10123	2.7
163.03920	100.0
163.11186	10.7
163.12466	1.4
163.14833	54.5
164.04303	2.6
164.15146	1.2
172.28426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03943	2.9
55.05516	7.1
57.03434	1.3
57.07075	1.4
58.99599	1.6
60.67561	0.7
61.01154	1.0
62.02966	0.7
66.16100	0.7
66.96856	0.8
67.05505	4.1
69.03436	0.9
69.06719	1.3
69.07077	20.3
69.18274	0.7
70.80455	0.6
70.91017	1.6
73.01153	4.1
74.72755	0.7
79.05505	16.7
81.07067	19.5
83.08611	4.4
84.85413	0.7
85.54662	0.7
89.03898	0.8
91.05489	12.4
93.07056	34.9
95.04988	4.3
95.08611	18.2
100.99783	0.7
103.05471	5.7
103.10120	0.7
104.98314	1.7
105.03415	0.9
105.04533	0.8
105.07044	9.6
107.04949	2.2
107.08604	100.0
108.08901	1.7
109.06546	1.9
109.10150	1.5
111.02667	0.8
112.03466	0.8
117.03342	1.1
117.05708	0.8
117.07018	2.3
117.26730	0.7
119.06076	1.4
119.08587	2.8
121.06509	2.4
121.10158	34.8
130.07832	1.2
131.04932	5.0
133.02859	4.3
135.04436	6.0
135.08066	1.0
135.11716	16.3
145.02876	0.7
145.06477	1.1
145.10110	5.3
163.03912	16.0
163.07527	3.4
163.08807	1.0
163.11201	14.5
163.14839	42.0
164.07002	1.6
164.15221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.95
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
55.93010	0.2
57.98840	0.2
58.89180	0.2
58.99598	0.4
61.01153	0.4
65.03963	0.4
67.05515	0.6
69.03429	0.3
69.07102	0.2
69.50729	0.4
69.51134	1.3
70.99579	1.7
72.00360	1.5
73.01172	0.3
76.74648	0.2
79.05502	0.9
80.03146	0.2
81.03426	0.3
81.07060	0.7
83.14729	0.2
89.00607	0.3
91.05490	2.3
94.04199	0.4
95.04977	1.1
95.08627	0.5
99.99851	0.4
101.00893	0.5
101.95987	0.7
102.96776	0.6
103.05492	0.3
105.07017	1.1
107.05049	0.3
107.08610	0.3
109.06520	1.1
109.10188	0.6
109.45714	0.2
109.78466	0.3
114.96750	2.7
115.97548	1.9
116.98306	2.3
119.01933	2.3
119.04944	2.9
119.08583	1.2
120.08133	0.4
123.04398	0.5
123.08036	0.5
131.96970	0.3
133.02884	0.3
133.06462	0.3
137.02982	0.4
137.05980	1.4
137.09634	0.5
142.03500	1.4
146.93933	0.6
147.04416	5.0
147.08040	0.5
147.11703	0.3
147.94708	43.8
148.94957	0.6
150.06700	0.3
160.04579	0.4
164.94992	100.0
165.05444	0.9
165.09103	2.0
165.10364	0.3
165.12721	0.4
165.95193	1.1
167.75214	0.2
173.81830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03942	5.3
55.01865	2.6
55.05504	4.4
57.03440	11.3
57.07068	1.0
58.06589	1.1
58.99568	2.2
59.46869	0.9
61.01153	11.9
65.03954	1.5
67.05498	2.9
69.03430	13.6
69.07052	4.7
70.10379	4.5
71.04974	3.1
71.33570	0.9
73.01147	54.5
75.02702	1.9
79.05500	15.1
81.03397	2.0
81.07066	17.9
83.04961	3.2
85.02894	2.7
85.06573	1.1
89.00621	1.5
89.03905	2.6
91.02192	17.2
91.05492	17.3
93.07055	31.6
95.04980	11.7
95.08597	3.2
98.20825	1.6
101.55061	1.0
103.05474	12.6
104.98325	10.9
105.03394	1.0
105.04529	1.2
105.07038	29.0
105.99092	6.5
107.04976	7.9
107.07865	2.2
107.08599	45.5
109.06497	2.8
115.05459	3.4
117.03393	3.1
117.07037	13.4
118.80562	1.2
119.08589	15.3
121.06518	12.8
121.10149	37.5
123.08025	1.6
129.06976	1.8
130.07793	12.9
131.04955	12.8
132.08064	1.2
133.02873	5.0
133.06496	2.8
133.10139	2.9
135.04428	8.7
135.08101	5.3
135.11708	25.1
136.07613	1.5
143.08557	4.3
145.02890	2.7
145.06425	1.3
145.10136	54.7
146.10510	1.4
147.08067	2.5
148.08847	3.7
161.09659	1.6
163.02490	3.9
163.03879	21.1
163.07559	7.7
163.08824	2.6
163.11192	100.0
163.14893	3.0
164.07011	1.3
164.11592	2.5
165.94139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.21680	0.7
51.02377	1.3
53.03748	0.9
53.03948	11.8
55.01862	2.3
55.05516	10.4
57.07059	2.1
58.99598	1.2
61.01138	1.4
61.02932	5.0
65.03932	2.8
66.76158	0.8
67.05505	30.4
69.03423	2.4
69.07069	12.9
70.73932	1.6
70.74266	1.4
73.01122	3.3
73.02913	1.8
77.03931	2.4
79.05496	67.2
80.05840	1.6
81.03408	1.8
81.07062	40.1
82.07386	0.8
83.05001	1.0
83.08617	6.0
85.02921	4.2
89.03898	1.0
91.02186	1.3
91.03933	1.9
91.05486	15.9
92.02621	3.4
93.07050	64.2
94.07349	1.3
95.04972	18.4
95.08613	38.1
96.05759	0.8
97.02873	1.1
97.06499	1.2
97.10139	1.4
98.73057	0.7
99.02680	2.3
101.04262	0.9
103.05478	1.3
105.03420	5.8
105.04507	5.2
105.07047	5.6
107.04961	3.3
107.08601	60.7
109.06533	1.6
109.10155	2.3
112.03423	1.6
113.04237	4.2
113.51202	0.8
114.05003	1.9
117.03419	1.0
117.07018	2.2
119.08598	3.9
120.02016	1.1
121.06484	3.2
121.10149	77.0
122.10454	1.0
129.79584	0.8
130.06540	2.2
130.07780	1.7
132.08070	2.6
133.02853	27.7
134.03175	1.0
135.04422	27.0
135.08095	4.7
135.11697	10.3
138.03151	0.9
145.06491	0.9
145.10129	7.6
161.13124	0.8
162.97079	1.6
163.03911	100.0
163.08682	2.0
163.11201	16.3
163.12439	1.6
163.14832	57.9
164.04292	2.6
164.07050	1.5
164.15224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03956	8.9
55.01871	1.3
55.05301	0.6
55.05520	6.6
57.03439	1.0
57.07074	1.2
58.99569	0.7
61.02932	5.9
62.89066	0.6
65.03944	1.2
67.05173	1.0
67.05513	19.0
69.03437	1.2
69.07076	7.0
69.95190	0.6
70.74358	1.3
71.04990	0.8
73.01129	1.2
73.02917	1.5
77.03925	2.1
77.61516	0.6
79.05502	43.5
80.97922	0.6
81.03421	1.4
81.07066	29.5
83.08636	4.7
85.02912	4.1
91.02171	0.8
91.03951	1.0
91.05490	12.9
92.02640	4.6
93.07053	42.7
94.07415	0.8
95.04980	15.5
95.08616	28.0
96.08940	0.7
97.02894	1.3
99.02714	0.8
103.05495	0.8
104.98257	0.7
105.03416	6.5
105.04524	5.4
105.07047	4.4
106.06553	0.9
107.04984	3.1
107.08605	37.3
108.08895	0.6
109.10152	2.2
113.04256	0.8
114.05042	0.7
115.05388	0.5
117.05741	0.6
117.07019	2.2
119.08613	1.8
120.02075	0.8
121.06499	2.3
121.10158	45.5
130.06525	1.8
132.08092	1.4
133.02870	26.7
135.04433	27.1
135.08067	1.2
135.11711	6.1
136.04753	0.7
138.03154	1.2
145.06444	0.9
145.10141	2.3
149.84526	0.7
163.03925	100.0
163.07581	1.8
163.11166	8.5
163.12495	1.3
163.14844	31.4
164.04254	2.4
164.07066	1.0
164.15175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03948	7.4
55.01857	3.1
55.05520	9.2
57.03433	2.7
57.07065	2.2
58.06593	3.6
58.99596	6.5
59.05011	1.8
59.06933	2.8
59.99910	1.0
61.00933	0.8
61.01155	9.6
64.25631	0.9
65.03936	1.2
67.05509	7.3
69.03436	5.9
69.07072	18.7
71.05019	1.0
71.54577	1.6
73.01151	26.9
75.02697	1.3
77.03951	1.6
79.05499	24.6
80.06276	1.4
81.03440	1.8
81.07063	22.3
83.04981	2.2
83.08620	4.0
85.02886	1.3
86.99050	1.9
89.00621	1.9
89.03926	5.0
90.96767	3.6
91.02184	1.7
91.05492	21.2
92.02644	1.4
92.26350	0.9
93.07050	50.3
95.04974	13.1
95.08618	17.4
97.01113	1.9
99.02668	1.6
103.05475	24.7
104.98336	10.1
105.03399	2.2
105.04514	2.0
105.07040	26.6
105.99081	1.8
107.04964	10.0
107.08604	100.0
108.08891	1.2
109.06527	2.9
109.10188	0.9
111.02676	3.8
112.03445	5.9
113.04227	1.7
115.05485	1.5
116.05057	1.1
117.03390	4.0
117.05743	1.5
117.07018	10.2
118.97865	2.2
119.06084	1.9
119.08607	8.7
121.06532	9.0
121.10152	45.3
129.06941	1.3
130.06586	1.7
130.07794	9.5
131.04935	26.1
132.08090	1.6
133.02844	11.2
133.06487	1.6
133.10104	1.8
135.04433	18.8
135.08063	6.8
135.11705	25.3
136.07570	2.6
143.08565	2.7
145.01445	1.1
145.02852	2.6
145.06430	2.5
145.10135	30.4
146.03444	2.5
148.08820	4.8
163.02589	2.3
163.03918	50.4
163.07553	16.2
163.08780	2.5
163.11194	92.3
163.14836	35.1
164.04350	1.7
164.05838	0.9
164.07024	4.8
164.11569	1.2
164.15225	0.9
171.10809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.3
55.01880	2.2
55.05516	3.2
57.03443	1.9
57.07096	1.1
58.06614	4.6
58.99591	9.2
59.06936	2.1
59.96737	2.4
59.99919	1.0
61.01156	33.0
65.03939	1.0
67.05515	1.9
69.03430	4.1
69.07070	6.5
70.05398	2.1
70.99583	2.8
71.04993	0.7
72.00350	1.1
73.01147	100.0
74.01479	1.5
75.02710	7.2
77.03939	1.0
78.51271	0.6
78.96772	0.8
79.05499	9.5
81.03432	0.9
81.07063	6.4
83.04997	1.9
83.08621	0.7
85.02904	1.5
85.06548	1.6
86.99065	1.5
87.02709	0.7
87.99402	0.9
89.00632	6.0
89.03928	2.4
91.02180	1.3
91.05492	11.7
92.98362	0.7
93.07054	15.4
95.04992	5.1
95.08603	3.3
99.02693	0.6
100.03057	0.7
101.04269	1.7
102.96799	0.9
103.05477	12.0
104.98323	34.5
105.03396	1.3
105.04532	1.3
105.07037	9.7
105.99116	11.4
107.04971	5.8
107.08604	26.6
109.06528	1.4
111.02644	0.8
112.03445	1.4
115.05490	2.0
116.05000	2.6
117.03394	1.6
117.05676	1.4
117.07021	5.3
118.06535	2.3
118.97894	3.4
119.04990	0.7
119.06094	0.5
119.08591	5.2
121.06503	4.5
121.10150	14.8
123.08067	0.8
129.03709	0.8
129.07094	0.6
130.06750	0.7
130.07791	4.5
131.04936	13.4
132.08078	1.2
133.02884	5.6
133.06541	0.6
133.10185	0.7
135.04427	10.3
135.08067	3.8
135.10690	0.7
135.11708	10.1
136.07602	1.5
143.08572	1.4
145.01352	0.5
145.02940	1.0
145.06491	1.5
145.10135	19.9
146.03519	2.4
146.05962	0.6
148.08847	1.1
163.00630	0.8
163.02513	1.5
163.03915	23.1
163.06117	1.1
163.07568	9.0
163.08809	2.1
163.11195	64.7
163.14836	8.6
164.07065	6.1
164.11555	1.4
178.05020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0868
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
56.96571	2.5
57.05403	0.3
57.93730	0.2
59.06425	0.2
63.92926	0.3
69.03435	0.3
70.06592	2.2
70.23809	1.0
78.95292	0.3
84.08168	0.3
85.02885	0.3
91.05490	0.5
92.05004	0.6
95.04939	0.5
98.97593	0.7
102.96897	0.6
103.00621	0.5
107.04951	0.3
112.07599	0.9
114.99872	0.2
116.03628	0.2
117.05798	0.3
118.06538	1.9
119.01843	0.2
120.04481	0.5
120.97914	0.6
121.00880	0.3
121.01643	1.2
124.84226	0.2
133.02870	0.3
133.07626	15.7
135.04431	0.4
140.00189	0.5
142.01788	0.3
145.07614	15.6
146.05948	0.3
146.08420	1.5
158.01172	0.4
158.04636	0.4
163.04044	2.1
163.08672	100.0
164.09064	2.2
178.98778	0.2
183.05458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13253	1.0
53.03730	1.3
53.03949	12.7
55.01873	5.6
55.05501	3.7
57.03443	11.6
57.56279	1.0
58.06594	1.4
58.99573	4.8
59.04976	1.6
61.01146	2.8
61.02930	13.8
65.03932	2.2
67.05489	3.0
68.67574	1.1
68.99772	1.5
69.03083	2.1
69.03437	38.3
69.07058	4.6
71.04982	3.1
71.55322	1.1
71.55707	1.7
72.08152	1.3
73.01152	9.1
73.02911	5.0
77.03940	2.1
79.05068	1.5
79.05501	21.9
81.03426	9.4
81.07071	7.7
83.01349	1.6
83.04990	1.8
84.08122	1.5
85.02911	88.3
86.00632	1.3
86.99059	2.2
87.04467	2.7
89.00599	1.8
89.03925	21.1
90.96755	6.6
91.02184	1.3
91.03952	1.4
91.05486	11.9
92.02617	3.4
92.98362	1.1
93.07059	13.8
95.04977	18.4
95.08617	1.9
97.02909	17.1
99.02700	3.4
99.04443	3.7
100.03043	1.7
101.02367	2.3
103.03978	1.9
103.05476	51.2
104.98307	4.5
105.03400	3.3
105.04505	4.2
105.07042	15.5
105.99090	2.9
106.06539	1.3
107.04955	18.2
107.07951	1.8
107.08607	19.9
109.02892	9.4
109.06526	1.7
115.03894	2.1
115.05442	3.3
117.03389	16.5
117.05742	1.3
117.07017	8.8
117.97859	3.2
118.06553	3.6
118.97898	3.6
119.08591	6.5
121.06512	8.9
121.10163	11.0
123.08107	2.0
127.03911	6.5
130.06558	3.8
130.07755	5.3
131.04942	65.9
132.05286	1.1
132.08066	4.4
133.02859	20.5
133.10112	1.8
135.04431	53.6
135.08057	10.2
135.11679	7.4
136.07574	1.5
145.02875	13.7
145.05148	1.4
145.06528	2.7
145.10132	15.9
146.05991	1.2
148.05185	1.9
163.03915	100.0
163.06165	2.6
163.07535	36.7
163.08702	4.9
163.11177	29.9
163.12347	2.3
163.14798	2.4
163.98386	10.3
164.04265	1.3
164.07060	3.4
181.02852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13253	1.0
53.03730	1.3
53.03949	12.7
55.01873	5.6
55.05501	3.7
57.03443	11.6
57.56279	1.0
58.06594	1.4
58.99573	4.8
59.04976	1.6
61.01146	2.8
61.02930	13.8
65.03932	2.2
67.05489	3.0
68.67574	1.1
68.99772	1.5
69.03083	2.1
69.03437	38.3
69.07058	4.6
71.04982	3.1
71.55322	1.1
71.55707	1.7
72.08152	1.3
73.01152	9.1
73.02911	5.0
77.03940	2.1
79.05068	1.5
79.05501	21.9
81.03426	9.4
81.07071	7.7
83.01349	1.6
83.04990	1.8
84.08122	1.5
85.02911	88.3
86.00632	1.3
86.99059	2.2
87.04467	2.7
89.00599	1.8
89.03925	21.1
90.96755	6.6
91.02184	1.3
91.03952	1.4
91.05486	11.9
92.02617	3.4
92.98362	1.1
93.07059	13.8
95.04977	18.4
95.08617	1.9
97.02909	17.1
99.02700	3.4
99.04443	3.7
100.03043	1.7
101.02367	2.3
103.03978	1.9
103.05476	51.2
104.98307	4.5
105.03400	3.3
105.04505	4.2
105.07042	15.5
105.99090	2.9
106.06539	1.3
107.04955	18.2
107.07951	1.8
107.08607	19.9
109.02892	9.4
109.06526	1.7
115.03894	2.1
115.05442	3.3
117.03389	16.5
117.05742	1.3
117.07017	8.8
117.97859	3.2
118.06553	3.6
118.97898	3.6
119.08591	6.5
121.06512	8.9
121.10163	11.0
123.08107	2.0
127.03911	6.5
130.06558	3.8
130.07755	5.3
131.04942	65.9
132.05286	1.1
132.08066	4.4
133.02859	20.5
133.10112	1.8
135.04431	53.6
135.08057	10.2
135.11679	7.4
136.07574	1.5
145.02875	13.7
145.05148	1.4
145.06528	2.7
145.10132	15.9
146.05991	1.2
148.05185	1.9
163.03915	100.0
163.06165	2.6
163.07535	36.7
163.08702	4.9
163.11177	29.9
163.12347	2.3
163.14798	2.4
163.98386	10.3
164.04265	1.3
164.07060	3.4
181.02852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.2
53.03743	0.7
53.03953	8.9
55.01872	4.3
55.05502	2.7
56.96572	0.7
57.03445	6.9
57.07070	1.0
58.99596	3.8
59.96655	0.7
59.99918	0.8
61.01152	1.9
61.02934	7.5
63.92938	0.7
65.03946	1.3
67.05512	3.7
68.99793	0.8
69.03437	22.7
69.07066	2.7
71.01318	1.1
71.04986	2.4
71.55462	1.1
72.08128	1.0
73.01151	5.0
73.02911	3.8
73.06558	0.8
73.37829	0.7
77.03928	1.9
79.05505	16.2
80.05003	0.8
81.03432	6.9
81.07072	5.4
83.01351	0.8
83.04986	1.3
83.08639	0.7
84.08164	0.9
85.02914	48.2
85.06538	1.3
86.99049	2.5
87.04445	0.8
89.03926	18.3
89.05992	0.8
91.02183	2.1
91.03941	1.0
91.05493	11.8
92.02634	2.9
93.07058	11.2
95.04977	14.1
95.08613	1.9
97.02909	9.3
99.04478	2.2
100.85849	0.7
101.02393	2.2
103.03967	1.1
103.05486	24.9
104.00723	0.9
104.98320	1.4
105.03400	3.9
105.04511	4.3
105.07053	8.9
106.06589	1.7
107.04299	0.9
107.04967	15.9
107.08605	15.0
108.08186	0.8
109.02891	3.8
109.06521	1.6
109.10168	1.6
110.07203	0.7
113.04276	1.2
115.05463	2.3
116.98300	0.9
117.02074	1.3
117.03401	10.9
117.05743	1.7
117.07034	6.0
118.06580	1.0
118.97881	5.6
119.04994	1.0
119.08604	5.4
120.04505	1.1
120.08108	0.9
121.00761	0.8
121.06534	9.5
121.10172	7.4
121.95719	1.0
121.96712	0.7
123.08115	0.9
127.03910	3.5
130.06544	3.2
130.07813	3.1
131.04945	27.2
132.05331	0.9
132.08089	4.2
133.02872	20.5
133.07607	1.1
135.04433	47.3
135.08052	8.1
135.11717	6.0
136.04825	1.3
136.07648	1.5
138.03148	0.8
139.01851	1.9
143.08540	1.2
145.02888	11.7
145.03984	1.7
145.06502	3.0
145.07616	1.6
145.10127	14.2
146.05998	1.0
148.05148	1.0
163.03923	100.0
163.07559	16.7
163.08719	7.2
163.11176	25.4
163.12305	1.5
163.14801	1.3
164.04337	2.2
164.07135	2.4
181.02907	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	163.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20943	0.3
51.33881	0.3
53.03949	1.6
55.01883	0.9
55.05518	1.3
57.03434	2.1
57.07084	0.6
57.98788	0.3
58.06602	2.0
58.13653	0.4
58.99591	10.3
59.05000	0.6
59.06947	0.9
59.96730	1.8
59.99920	0.4
61.01154	37.0
63.02374	0.4
65.03955	0.7
67.05505	2.0
69.03435	2.8
69.07068	3.7
69.71889	0.7
69.72305	1.5
70.99583	2.9
71.04990	0.5
72.00364	0.9
73.01145	100.0
74.01477	1.2
74.01923	0.4
75.02712	7.4
75.03140	0.4
77.03933	0.5
78.41862	0.3
78.96783	0.6
79.05495	6.9
81.03410	0.4
81.07058	3.2
83.04987	0.9
83.08633	1.2
85.01130	1.2
85.02914	1.7
85.06551	1.3
86.99071	0.7
87.02692	0.6
87.99416	0.7
89.00621	6.5
89.03930	2.4
90.96782	1.0
91.02184	1.3
91.05486	5.0
92.02654	0.6
92.98334	1.0
93.07049	8.7
95.04984	4.1
95.08626	1.5
95.59076	0.3
97.01106	0.4
97.02905	0.5
99.02682	1.2
99.04475	0.4
100.03051	0.4
101.04262	1.4
102.96786	0.4
103.05470	9.7
104.98321	38.0
105.03416	0.8
105.04523	1.1
105.07042	5.9
105.99107	12.2
107.04981	2.4
107.08597	15.3
108.08173	0.5
109.06532	0.9
109.10189	0.6
111.02680	1.1
112.03465	2.7
113.04238	2.2
114.05005	0.6
115.05450	0.6
117.03387	1.5
117.05671	0.9
117.07018	3.2
118.97871	0.9
119.06091	0.4
119.08582	2.1
120.97806	0.7
121.06523	2.3
121.10145	9.1
122.72436	0.3
123.08023	0.4
127.03819	0.4
129.03702	0.6
129.99063	0.4
130.07787	1.6
131.04930	11.1
132.08098	0.6
133.02870	4.1
134.10901	0.4
135.02766	0.4
135.04424	7.5
135.08090	2.0
135.11713	3.8
136.07588	3.4
143.08606	0.5
145.01466	0.6
145.02861	0.9
145.06511	0.5
145.10127	7.7
146.03505	1.2
147.94679	0.9
148.08876	0.8
162.97060	1.7
163.02493	3.0
163.03889	19.1
163.07561	7.0
163.08765	1.0
163.11180	24.8
163.14810	5.0
164.07018	1.8
164.11501	0.4
180.50305	0.3
181.29504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
53.80980	1.1
55.01879	2.2
55.05512	2.2
57.03429	4.5
57.07064	1.3
58.06587	1.2
58.99589	17.1
59.96737	1.7
61.01154	25.9
61.02927	5.8
63.94426	1.5
67.05506	7.8
69.03430	8.8
69.07083	2.7
69.42855	9.0
70.99583	2.2
71.05011	1.1
73.01146	100.0
73.02911	2.5
74.01941	1.1
75.02714	7.6
76.95213	1.9
79.05495	12.6
80.06282	2.4
81.03419	4.0
81.07058	5.4
85.01140	1.7
85.02911	23.4
85.06570	2.7
86.99052	5.2
87.02703	3.2
89.00613	3.8
89.03924	3.1
91.02180	1.3
91.03946	1.5
91.05485	6.1
91.55238	1.1
92.98341	1.5
93.07045	6.6
95.04971	7.6
95.08608	1.3
96.05740	1.2
97.01107	4.8
97.02894	5.7
97.06543	1.9
99.02676	8.2
101.02380	1.3
101.04257	5.0
102.96731	1.8
103.05473	10.5
104.41100	1.3
104.97613	1.8
104.98320	34.8
105.03383	3.2
105.04472	1.3
105.07043	3.8
105.99101	60.4
107.04948	4.3
107.08607	8.6
108.08151	1.1
109.02867	1.3
111.02654	6.4
112.03465	13.3
113.04236	8.5
114.05021	5.2
115.02164	3.1
115.05741	1.4
116.98310	9.0
117.03391	2.1
117.07024	4.8
118.97852	3.3
119.08640	2.0
121.06500	4.7
121.10149	4.0
127.03880	1.5
129.03722	2.9
129.99092	3.2
130.06519	2.3
131.04926	10.4
132.08112	2.5
133.02878	10.2
135.04414	15.1
135.08089	3.7
135.11708	2.8
145.01413	4.7
145.02917	2.0
145.06569	1.4
145.10123	6.9
162.97037	1.6
163.02478	26.1
163.03923	49.0
163.07535	7.6
163.08710	2.2
163.11148	13.1
163.12363	2.3
163.14851	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	163.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	1.4
53.03954	10.5
55.05521	7.1
57.03432	3.0
58.99594	12.6
59.04998	2.2
59.96728	2.6
61.01157	36.0
67.05517	5.7
69.07074	6.8
69.45403	7.9
70.99585	2.9
72.00356	3.9
73.01144	42.4
74.01546	1.9
74.01928	25.6
75.02684	1.1
77.03926	2.0
79.05494	27.7
80.06264	3.2
81.07066	2.8
82.68727	1.1
83.08638	2.9
85.01123	3.7
88.40469	1.0
89.00620	26.3
89.03951	1.7
90.01405	30.6
91.05469	2.1
92.02631	4.5
93.07014	1.3
95.04956	15.3
96.05756	1.6
97.01133	3.6
97.06506	2.0
98.01891	2.0
98.50741	1.0
99.02686	58.2
100.70947	1.1
101.04250	3.1
104.98329	6.8
105.03381	4.2
105.04504	3.4
107.04953	3.2
107.08617	1.6
111.02670	6.7
112.03461	12.9
113.04237	78.5
114.05019	56.1
116.98309	3.9
117.07025	1.7
120.97791	1.7
129.03699	2.6
133.02856	27.3
135.04420	32.6
135.08060	1.4
145.01418	2.9
163.02480	21.9
163.03909	100.0
163.11148	3.1
164.04259	1.4
164.07013	1.7
170.44389	1.2
173.02661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.01882	1.8
55.05513	3.6
56.96576	0.4
57.03443	13.5
57.07083	6.5
58.06611	1.7
58.99588	4.1
59.06944	1.0
59.96739	4.3
61.01160	6.7
62.99083	1.9
65.03939	0.7
67.05503	1.6
69.03439	2.6
69.07073	4.3
70.99585	0.8
71.27000	1.1
72.00380	0.7
73.01147	100.0
74.01099	0.5
74.01488	1.1
74.01909	0.6
75.02711	2.0
77.00655	0.8
77.03933	0.8
79.05497	7.5
81.03422	0.8
81.07059	4.6
83.08630	0.8
85.02911	1.6
85.06554	0.5
86.99073	1.2
87.99400	0.7
89.00620	3.0
89.03922	3.4
89.06046	3.5
90.01417	0.9
91.02187	98.4
91.05473	5.7
91.05939	0.6
92.02601	1.9
92.98325	0.6
93.07050	11.4
95.04973	5.1
95.08614	3.1
99.02705	1.8
99.04436	0.6
101.09657	0.6
102.96769	1.4
103.05481	17.5
104.98328	7.4
105.03405	1.2
105.04540	1.1
105.07027	5.3
105.99110	4.6
106.99907	1.4
107.04971	4.8
107.07079	0.7
107.08604	16.4
109.06562	1.3
112.03451	1.0
113.04224	1.2
114.05041	0.6
115.05467	1.2
117.03374	2.9
117.05727	1.1
117.07029	4.5
118.97887	3.5
119.08597	3.3
120.02068	0.6
120.97816	2.8
121.06506	2.9
121.10149	9.6
128.06232	0.5
130.06587	0.9
130.07805	1.7
131.04942	20.8
132.08095	0.9
133.02878	5.7
133.06480	0.8
135.04428	11.3
135.08083	2.9
135.11696	4.2
136.07593	9.0
136.08560	0.9
136.11256	0.5
143.08618	0.7
145.02876	2.2
145.06519	1.1
145.10120	7.3
145.11133	0.7
146.03545	1.1
148.08846	1.2
163.02484	12.3
163.03923	27.8
163.07527	8.2
163.08772	1.1
163.11195	28.2
163.14795	4.6
164.07068	1.3
175.45378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49103	0.5
51.02368	1.0
52.00935	0.4
53.03950	9.4
53.73898	0.5
55.01870	1.0
55.05498	1.6
57.03433	1.4
58.99337	0.4
58.99595	5.2
59.96730	1.2
60.54916	0.5
61.01157	22.3
65.03963	0.8
67.05514	3.1
69.03428	0.7
69.03777	0.4
69.07065	2.1
70.11447	0.8
70.11834	1.2
70.99566	1.2
72.00365	2.3
73.01148	24.6
74.01927	14.4
75.02688	0.8
76.95255	0.5
77.03938	2.0
79.05497	13.6
79.74334	0.5
80.06296	0.7
81.03400	1.4
81.07047	1.4
83.04967	0.6
83.08643	0.6
85.01128	1.7
87.22183	0.5
89.00068	0.6
89.00623	11.9
89.03928	1.2
90.01407	15.2
91.02176	1.2
91.05467	1.4
92.02621	3.4
93.07037	1.2
95.04976	13.0
96.05761	1.1
97.01105	1.5
97.06532	1.4
98.01903	0.7
99.02689	10.6
101.04243	1.3
103.05447	0.6
104.98316	7.8
105.03410	5.4
105.04520	4.1
105.07034	1.1
105.99094	0.7
107.04975	2.4
107.08593	1.9
111.02673	1.3
112.03463	3.9
113.04240	20.3
114.05031	7.0
116.98314	1.4
117.03384	0.8
117.07023	1.3
118.97858	0.8
118.99840	0.7
120.02056	0.8
121.06508	1.1
121.10152	1.4
130.06541	0.5
131.04907	0.8
132.08105	1.4
133.02864	29.0
134.03180	0.5
135.04427	29.3
135.08035	0.6
138.03148	1.0
141.13103	0.5
145.01434	1.1
145.02769	0.6
145.06494	0.8
145.10091	1.2
163.03912	100.0
163.07521	3.4
163.11177	3.5
163.12364	0.7
164.04259	1.9
164.07063	0.7
171.44916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1126
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
55.05522	2.5
56.05024	1.4
56.96551	0.9
57.03450	3.2
58.06599	2.8
59.07368	1.4
60.08168	39.4
67.04236	0.5
69.03429	1.1
70.06561	0.5
70.90889	1.3
71.04990	1.0
72.04497	1.3
73.02924	0.5
73.06562	2.2
77.21932	0.4
83.08613	0.5
84.04498	1.8
84.08160	2.2
85.02912	22.6
85.06474	0.7
90.01511	0.8
90.05540	2.0
98.97595	0.8
99.32214	0.5
102.03771	0.7
102.05545	0.7
102.09186	23.4
103.03950	51.4
104.04245	0.5
105.06072	0.4
112.07577	0.4
113.01810	1.3
116.03332	1.7
116.05315	0.6
116.07115	0.5
119.01790	0.5
120.02037	0.9
122.02375	0.8
131.01895	0.5
151.92087	0.4
157.03445	0.9
162.11266	100.0
163.08658	1.8
163.11586	1.5
170.04083	0.5
180.98465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0585
Annotation	S-Allyl-L-cysteine
Peak:m/z	Relative Intensity
50.60453	0.6
50.64201	0.6
55.01876	10.3
55.05516	2.3
56.05038	1.2
57.03442	0.7
57.98809	1.3
58.06604	100.0
58.99592	57.0
59.04996	0.8
59.96740	0.7
60.08149	0.9
61.01156	5.7
65.03945	2.6
67.05511	0.9
68.05036	0.9
69.03437	1.3
69.07066	1.5
70.06600	3.6
70.39638	2.1
72.82823	0.6
73.01145	47.4
73.17958	0.5
74.00683	1.8
75.02735	1.5
76.02235	13.5
79.05511	2.7
80.05038	0.7
81.07104	1.0
82.06570	3.4
83.07396	0.9
83.08662	0.7
84.04525	1.2
85.01177	0.9
85.02901	0.9
86.99060	33.7
88.03989	3.8
89.00636	1.0
90.03815	0.7
90.96779	0.8
91.02204	1.2
91.05515	2.4
93.07053	3.0
95.04993	1.6
97.02851	0.7
99.02686	31.9
103.02166	1.0
103.05488	2.7
104.98328	6.5
105.00100	16.9
105.07042	4.0
105.99123	1.5
106.06704	1.1
106.07344	3.5
107.05000	1.7
107.08608	3.4
112.03449	1.2
116.01715	1.1
116.05320	28.9
117.07037	0.9
117.98653	0.8
119.08582	3.2
120.08106	1.0
120.08907	6.3
121.10198	2.6
130.04114	0.7
130.07819	0.8
131.04932	3.8
133.02924	2.0
133.10152	0.9
134.06017	3.5
134.10478	3.4
135.04448	2.4
135.08099	0.7
135.11780	1.4
145.03191	46.0
145.10127	4.5
147.04431	1.0
160.12102	0.6
162.05798	10.8
162.11314	0.9
162.13618	6.1
163.03900	6.4
163.05013	0.6
163.07591	1.8
163.11186	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	162.0585
Annotation	S-Allyl-L-cysteine
Peak:m/z	Relative Intensity
50.48783	0.6
53.03936	1.6
55.01880	10.1
55.05497	2.1
56.05022	2.2
57.03432	0.8
57.28044	0.6
57.98803	1.3
58.06602	100.0
58.99589	55.1
59.06916	0.6
59.96721	1.9
61.00879	0.8
61.01156	9.7
65.03925	2.0
67.05479	1.3
68.05061	0.7
69.07057	1.0
69.43080	3.8
69.43486	0.9
70.06599	4.0
70.99564	1.0
73.01144	59.8
73.02914	0.9
74.00652	2.2
74.01466	0.7
75.02724	3.3
76.02234	12.4
79.05477	2.9
81.07059	1.0
82.06562	2.4
82.07008	0.7
83.07342	1.3
84.04507	6.0
84.08100	0.7
85.02895	0.8
86.99059	33.3
88.04015	3.0
89.00603	1.8
91.02172	1.1
91.05479	2.6
93.07038	2.2
95.04945	1.2
95.08554	0.7
99.02681	33.0
102.05550	1.2
103.02110	1.3
103.03942	1.3
103.05476	1.5
104.98335	9.6
104.99448	1.1
105.00096	17.5
105.07035	2.9
105.99111	3.9
106.06614	0.6
106.07376	2.8
107.04973	0.6
107.08596	3.2
116.01665	1.1
116.05319	26.9
117.03605	0.6
117.07011	1.5
118.06605	0.6
119.08567	2.3
120.08144	0.8
120.08916	3.2
121.06535	1.0
121.10172	1.6
122.84651	0.6
129.03795	0.7
130.04103	0.9
131.04941	2.4
133.02872	1.4
134.03598	1.8
134.05986	1.5
134.10492	3.2
135.04411	2.1
135.08115	0.7
135.11729	0.8
140.50049	0.6
144.06563	0.8
145.03191	45.2
145.10103	3.0
147.04425	0.9
147.07770	0.6
152.06961	0.6
162.03116	0.9
162.05804	12.1
162.08983	0.9
162.10138	1.0
162.11272	0.8
162.13577	2.3
163.02524	0.9
163.03891	6.1
163.07533	1.6
163.11192	8.7
163.14815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0586
Annotation	S-Allyl-L-cysteine
Peak:m/z	Relative Intensity
53.03950	1.5
53.12526	0.6
55.01881	9.3
55.05507	1.6
56.05036	1.2
57.03432	1.2
57.98808	1.7
58.06605	100.0
58.99593	60.8
58.99908	1.3
59.06926	1.0
59.96728	0.8
61.01157	7.2
65.03949	2.5
67.05508	1.7
68.05031	1.2
69.03434	1.0
69.07063	1.1
70.06590	4.3
70.69064	1.9
70.77631	0.6
73.01147	54.8
74.00659	1.1
75.02716	1.7
76.02229	11.3
76.02622	0.8
79.05517	3.1
80.05027	1.0
81.07070	1.1
82.06608	2.8
83.07375	1.2
84.04523	0.8
85.01134	1.1
85.02899	1.3
86.99060	34.2
88.03994	3.5
89.00634	1.2
90.03807	1.2
91.02190	4.4
91.05508	1.3
93.07056	1.5
95.04993	1.9
96.05762	0.7
97.06561	1.1
99.02687	35.2
101.04269	1.2
103.02173	1.0
103.03982	1.5
103.05487	3.5
104.98331	8.8
105.00101	16.1
105.07039	1.0
105.99136	2.5
106.06616	0.7
106.07402	1.6
107.04983	1.0
107.08638	1.4
111.02745	0.8
113.04297	4.3
114.05001	5.7
116.01720	2.4
116.05328	28.0
116.07058	0.8
116.98352	1.3
117.03455	0.7
117.98650	1.5
119.08619	0.9
120.06618	0.7
120.08934	1.1
121.10155	0.7
131.04939	3.4
133.02913	1.8
134.03667	0.9
134.06064	1.6
134.10516	0.7
135.04425	3.5
135.08020	0.9
144.06581	0.8
145.03195	41.9
145.10124	0.9
146.03336	0.7
152.13522	0.6
162.05789	11.3
162.06929	0.7
162.10144	1.5
162.11337	1.1
162.13637	1.7
163.02562	2.4
163.03990	9.0
163.07617	1.9
163.11235	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	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.41555	0.8
55.05296	1.0
55.05515	11.2
56.57627	0.8
58.06595	3.8
58.99591	2.6
64.72364	0.9
65.03938	0.9
67.05503	1.4
69.07069	10.8
69.72223	1.7
69.72625	3.2
73.01120	1.2
79.05489	6.1
81.07062	3.4
84.04556	1.1
91.05486	12.9
93.07042	3.8
95.04984	1.2
96.05742	1.1
99.02660	1.4
100.17410	1.1
103.05447	2.6
105.07040	59.4
106.07364	1.3
107.08601	3.5
108.73344	1.1
115.05468	2.5
116.98319	7.3
117.07014	5.4
118.04208	1.8
119.08591	100.0
121.10143	5.4
128.06186	1.5
131.04959	0.9
131.08582	8.6
133.06491	3.5
133.10141	59.7
134.10567	1.2
143.08539	1.7
145.10118	1.4
146.03580	1.4
146.07268	1.0
146.10930	4.4
159.11693	2.8
161.00923	1.6
161.04698	1.1
161.05981	2.7
161.09668	7.2
161.13271	89.2
162.13611	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03934	2.2
55.05514	5.1
56.26553	0.8
58.06591	3.4
58.99596	10.0
61.01143	1.1
63.88093	0.9
65.03941	3.1
67.05210	1.1
67.05514	9.7
68.06288	1.4
69.07079	6.5
69.72942	5.4
73.01138	3.2
75.02692	1.1
79.05107	1.0
79.05507	8.0
81.03369	0.8
81.07064	18.9
85.01138	1.9
91.05487	17.7
93.07040	8.4
95.04954	3.5
95.08620	1.9
96.05758	15.9
97.01118	3.4
97.06533	4.8
98.20761	1.2
99.02686	8.0
100.49260	0.9
101.04243	1.2
103.05453	2.5
105.07038	100.0
106.07365	0.9
107.08590	3.4
111.02687	5.8
112.03455	18.4
112.04195	1.6
113.04226	1.7
114.25121	1.0
115.05452	1.9
116.98314	32.3
117.07025	4.5
118.99842	1.2
119.08591	53.5
119.95760	1.0
120.08968	0.9
127.02141	4.8
128.02905	2.6
131.08580	2.6
133.01450	4.3
133.06500	4.0
133.10136	17.8
142.99843	9.0
143.08658	1.3
145.03220	1.5
146.07312	1.3
146.10910	1.4
159.11696	1.9
161.00919	14.3
161.05943	2.8
161.09662	8.2
161.13271	78.6
162.13625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42476	0.8
53.03942	1.5
55.01873	11.1
55.05499	1.5
55.72144	0.8
56.05031	1.2
57.07048	0.7
57.98812	0.9
58.06603	100.0
58.33795	0.8
58.99590	61.7
59.06919	0.9
59.96721	1.1
60.04515	0.8
61.01159	6.1
62.43112	0.8
62.99076	0.7
65.03930	2.3
67.05512	1.3
69.07073	1.8
69.74514	5.1
70.02960	0.7
70.06578	3.6
70.99564	0.8
73.01146	51.3
74.00653	2.3
75.02696	3.3
76.02229	11.7
79.05490	4.0
80.04991	1.1
81.07062	1.1
82.06573	3.1
83.07359	1.1
84.04511	1.2
85.01158	0.9
85.02901	1.5
86.99059	40.9
88.03986	3.5
89.00629	1.3
89.04340	0.8
91.05472	2.7
93.07047	1.9
95.04977	1.7
98.20759	1.6
99.02685	34.2
102.05544	1.0
103.02133	0.9
103.03919	1.7
103.05439	4.0
104.98318	6.2
104.99445	1.3
105.00097	16.6
105.07040	2.2
105.99086	2.8
106.06583	1.6
106.07345	2.6
107.04941	3.2
107.08582	3.6
114.29786	0.7
116.01694	3.9
116.05321	23.5
117.07004	2.4
118.97839	0.8
119.08519	1.1
120.08102	1.7
120.08888	1.1
121.06511	1.6
121.10124	1.7
131.04913	4.0
133.02826	2.4
134.03656	1.2
134.06000	0.8
135.04430	4.3
135.08035	1.6
138.66740	0.8
145.03189	44.6
145.10109	2.3
147.04512	1.0
147.08051	1.6
148.08830	3.5
162.03328	0.9
162.05753	10.6
162.09019	1.8
162.10172	1.1
162.11295	1.8
162.13611	1.7
163.02534	1.3
163.03900	10.0
163.07507	2.4
163.11186	29.0
183.41692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.4
58.99868	0.3
60.00650	0.2
69.42717	0.1
71.53403	0.2
79.57904	0.1
82.99838	1.9
98.97611	0.8
100.02547	0.2
100.97206	0.3
101.00890	25.4
101.95038	0.6
102.00946	1.0
102.96889	0.5
115.02442	0.2
115.97063	0.3
116.98597	0.4
119.01933	100.0
120.02019	4.1
121.01619	0.2
121.02383	0.4
124.02422	0.2
124.97569	0.4
125.02582	0.1
127.47895	0.2
133.03477	0.9
133.98106	1.1
136.48386	1.2
137.02969	28.3
138.03069	1.3
142.03520	1.7
143.01929	0.2
143.03641	1.2
144.03268	0.3
145.48911	2.4
146.48796	0.3
149.10443	0.2
151.04503	0.2
154.49490	0.2
160.04596	0.3
161.02979	3.9
161.04370	0.3
179.04034	5.1
180.04228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.9
69.92083	0.7
71.95332	0.2
73.81693	0.2
82.01447	0.2
82.99844	1.9
87.50014	0.2
98.97594	1.0
100.97211	0.5
100.98016	0.3
101.00885	26.8
101.95042	1.1
102.00953	1.1
102.96880	0.5
105.62836	0.2
106.96548	0.3
115.97055	0.8
116.98640	0.7
118.03523	0.2
119.01927	100.0
119.96082	0.6
120.01996	3.7
120.97937	0.3
121.01669	0.4
121.02386	0.5
124.97580	1.4
127.47841	0.7
128.47781	0.2
133.03471	0.9
133.98106	2.9
134.99648	0.4
136.48354	3.6
136.49292	0.3
137.02963	29.1
137.48257	0.5
138.03062	1.1
142.03488	1.7
142.98640	0.4
143.01912	0.2
143.03638	1.5
144.03340	0.4
145.48900	6.2
146.48787	0.6
147.48567	0.2
151.04543	0.3
154.49425	0.6
155.49402	0.2
156.97513	0.3
156.99744	0.8
160.04622	0.3
161.02974	4.6
161.04605	0.3
179.04022	5.3
179.05608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77250	0.5
53.03950	1.7
55.01874	2.7
55.05518	10.9
57.07071	0.9
58.06604	9.9
58.99594	8.3
61.01147	0.7
61.57628	0.6
64.98664	0.5
65.03945	1.6
67.05510	6.8
69.03426	1.0
69.07072	11.2
69.29702	4.5
70.06611	1.0
73.01147	3.7
76.02237	1.2
78.93147	0.8
79.05498	8.6
79.41434	0.5
81.03497	0.6
81.07063	15.5
81.07521	1.0
84.04491	0.7
85.02921	0.6
86.99064	3.0
87.04446	0.5
91.05489	27.1
91.16842	0.5
93.07053	13.0
93.72082	0.5
95.04973	1.6
95.08619	2.0
96.05748	1.9
98.21513	1.0
99.02685	4.8
101.04266	3.0
103.05456	3.7
105.00105	1.4
105.03405	0.8
105.07037	91.0
106.07317	0.9
107.08610	5.2
110.63523	0.6
111.02669	0.6
112.03483	0.7
113.02413	0.8
115.05462	3.3
116.05366	2.8
116.98312	8.4
117.07021	7.8
118.06550	1.3
118.07845	0.5
119.08588	100.0
119.95746	0.7
120.08856	1.0
121.10162	3.4
124.70077	0.5
128.06241	1.4
131.04962	0.6
131.08578	10.0
132.09328	1.6
133.01353	0.7
133.06511	3.8
133.10139	57.8
134.06079	0.7
134.10519	1.2
137.87514	0.5
137.96710	0.7
143.08589	2.5
144.09296	0.7
145.03204	4.8
145.10152	0.7
146.03630	1.2
146.07288	2.5
146.10956	3.7
159.11708	5.1
159.46602	0.5
161.00934	3.3
161.05984	3.1
161.09630	12.1
161.13263	75.0
162.05664	0.9
162.13628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46720	0.3
52.35003	0.2
53.03951	0.6
55.01865	0.8
55.05515	1.9
58.06598	2.9
58.99588	4.5
59.72345	0.3
65.03934	0.7
67.05513	2.1
67.41488	0.3
69.03437	0.8
69.06770	0.3
69.07077	2.9
69.72540	0.3
70.06575	0.4
70.99556	0.4
73.01150	2.5
75.02696	0.5
78.93128	1.2
78.99022	0.3
79.05492	2.3
81.03416	0.6
81.07048	1.0
84.00345	0.5
85.01139	0.4
85.02920	0.3
86.99044	1.4
87.02710	0.5
88.02214	0.3
89.00649	0.4
91.05482	4.5
93.07027	1.1
95.04987	1.5
95.08618	0.4
96.05759	8.6
96.94183	0.5
97.01113	0.5
97.06541	1.0
98.07316	0.5
99.02677	2.8
102.96765	1.0
103.05476	2.4
103.97540	0.9
105.07036	20.8
107.04952	0.4
107.08589	0.5
111.02692	0.9
111.72005	0.3
112.03456	3.2
113.02390	0.3
113.04281	0.4
115.02174	1.5
115.04010	0.5
115.05452	2.0
116.01675	0.6
116.05304	0.6
116.98309	100.0
117.07014	1.7
117.98661	0.3
118.04167	1.0
118.06525	0.3
118.99858	0.7
119.08586	17.9
119.95751	0.8
121.06496	0.6
121.10145	0.4
127.02134	1.1
128.02934	0.8
128.06235	1.1
131.04926	0.7
131.08597	1.5
133.01419	0.4
133.02789	0.3
133.06493	3.7
133.10135	11.2
137.96773	0.8
142.99866	0.9
143.08563	1.7
144.08087	1.7
145.03177	0.8
146.03644	1.2
146.07281	1.3
146.10965	0.3
161.00920	20.8
161.04684	0.5
161.05977	5.0
161.07190	0.5
161.09634	9.5
161.13264	13.0
162.05557	0.8
173.05894	0.3
173.49754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84507	0.2
53.03940	0.3
55.01873	0.8
55.05517	0.6
56.96573	0.2
57.03435	0.2
58.06340	0.3
58.06603	3.4
58.99592	4.0
59.96738	0.2
61.01154	0.2
63.79583	0.2
65.03947	0.5
67.05502	0.7
69.03414	0.4
69.07066	1.3
69.93087	0.2
70.99551	0.2
71.54813	0.3
72.66744	0.2
73.01149	2.1
76.04019	0.2
78.93124	0.7
79.05488	1.8
81.07068	0.5
84.04500	0.3
85.01138	0.2
86.99048	1.2
87.02695	0.2
88.03926	0.2
89.00626	0.2
91.05486	2.1
93.07066	0.4
93.83920	0.2
95.04977	0.6
95.08582	0.3
96.05757	1.4
96.94167	0.3
97.01135	0.3
97.02901	0.2
97.06530	0.5
99.02692	2.3
100.98229	0.2
102.96750	0.4
103.05447	1.1
103.97517	0.3
105.00101	0.7
105.03394	0.5
105.07039	10.1
107.04966	0.2
107.08607	0.3
112.03462	1.1
113.02428	0.2
113.10442	0.2
115.02161	1.1
115.04043	0.3
115.05434	1.3
116.01706	0.8
116.05328	1.0
116.98310	100.0
117.07021	0.5
117.98690	1.0
118.04150	1.1
118.99871	0.5
119.08588	7.3
119.95731	0.4
121.06506	0.4
121.10152	0.2
127.02144	0.6
128.02913	0.7
128.06223	0.6
129.44186	0.2
131.04901	0.4
131.08592	0.7
133.01389	0.4
133.02867	0.7
133.06503	2.2
133.10139	5.2
137.96814	0.4
142.99866	0.8
143.06039	0.2
143.08557	0.9
145.03227	1.5
145.06500	0.3
146.03641	0.7
146.07289	0.8
146.10864	0.2
159.11707	0.2
161.00919	20.1
161.05972	2.2
161.07057	0.3
161.08218	0.2
161.09621	5.4
161.13261	5.8
162.05670	0.4
171.10242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01862	1.1
55.05505	2.7
58.99591	31.2
62.65309	0.7
65.03946	9.7
67.05175	1.5
67.05509	20.3
68.06281	4.0
69.07072	14.8
71.15852	1.1
73.01150	3.7
78.93126	2.9
78.96776	1.8
79.05493	6.3
79.85388	0.8
81.03428	0.9
81.07062	1.4
82.07834	1.0
85.01123	3.5
87.02678	3.0
91.05472	2.6
95.04972	6.6
95.67284	0.8
96.05757	49.2
97.01125	16.6
97.06550	21.4
99.02686	35.3
99.03333	1.7
100.03461	1.0
101.04246	4.3
101.94973	1.2
103.05470	1.6
105.07032	11.6
111.02672	33.9
112.03455	100.0
113.04279	11.1
115.05460	1.6
116.98307	14.6
117.06980	1.0
118.97895	1.1
118.99872	1.8
119.08582	4.4
119.95753	1.5
123.26347	0.7
127.02159	15.1
128.02919	7.8
128.06256	1.1
133.01416	15.3
133.06477	3.4
133.10176	4.4
137.96823	1.3
142.99855	55.2
143.08646	1.6
161.00916	40.2
161.05925	1.7
161.07132	1.0
161.09639	7.1
161.13268	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	161.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01883	1.5
55.05502	3.6
57.46556	0.6
58.06600	2.8
58.99590	42.1
59.96746	0.7
61.01153	1.2
61.92854	0.7
65.03947	13.2
67.05509	29.2
68.06293	8.6
69.03449	1.1
69.07074	25.6
69.91874	3.9
73.01152	5.8
78.93119	2.2
78.96776	2.3
79.05489	4.8
81.03411	3.2
81.07053	1.6
85.01131	4.3
86.99065	1.7
87.02712	4.6
89.00608	0.7
91.05477	4.4
93.07030	1.1
93.38103	0.7
95.04975	15.1
96.05758	100.0
97.01125	11.8
97.06547	23.0
99.02685	50.1
100.03473	2.0
101.04255	7.0
101.95049	1.2
102.96771	1.5
103.05504	1.5
103.97557	2.0
105.07034	14.7
111.02673	24.0
112.03455	74.7
113.00616	1.4
113.02284	0.8
113.04276	7.1
115.02170	1.6
115.05473	1.6
115.09528	1.0
116.05317	1.0
116.98311	69.1
117.07047	1.6
118.04137	1.0
118.99881	2.0
119.08590	10.0
119.95763	2.7
121.06503	1.1
127.02151	31.1
128.02934	22.1
128.06146	0.9
131.08556	1.1
133.01430	23.0
133.06479	3.0
133.10136	5.4
137.96811	1.8
142.99858	37.5
143.08521	1.6
145.03229	1.6
146.07301	1.1
161.00917	56.1
161.05997	2.9
161.09627	10.4
161.13293	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	161.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01857	1.2
55.05506	2.2
58.99590	30.9
61.01153	1.2
65.03651	0.9
65.03944	11.0
66.04733	0.9
67.05506	19.0
68.06281	6.5
69.07073	19.9
70.75087	2.1
73.01134	2.8
78.93118	2.9
78.96769	1.7
79.05483	6.1
81.03417	1.8
85.01130	2.6
87.02681	3.5
91.05468	2.2
93.07027	0.8
95.04964	10.2
96.05756	72.3
96.94160	1.8
97.00488	0.8
97.01118	15.0
97.06542	35.1
98.14331	0.7
99.02680	37.6
100.03448	1.3
101.04251	5.8
103.05489	1.1
105.07046	8.5
111.01930	1.8
111.02672	30.5
112.03453	100.0
113.04251	11.7
115.05418	1.0
116.98312	16.3
117.07021	1.4
118.99864	3.6
119.08591	6.0
119.95733	3.4
127.02153	20.5
128.02921	12.2
128.06226	1.1
133.01422	21.7
133.06422	1.6
133.10136	3.5
137.96854	1.5
142.99854	50.5
143.08543	1.2
146.07329	1.1
161.00909	42.6
161.05986	2.4
161.09607	9.0
161.13289	3.8
164.09244	0.8
173.09987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.7
56.05045	0.8
56.96576	0.3
57.98817	0.4
58.99591	6.6
61.45375	0.3
68.05036	6.0
69.03452	0.4
69.07072	0.3
70.06595	0.4
71.15202	0.3
72.08186	0.3
73.00763	0.4
73.01141	2.5
73.02930	0.4
73.06560	0.4
74.00678	0.9
74.06079	0.3
80.05022	0.2
80.08486	0.2
81.05817	1.6
82.06570	0.3
84.08145	0.4
85.02887	0.3
86.00659	1.1
86.06066	0.4
87.02713	0.2
87.04470	0.5
88.02222	10.5
96.08128	1.6
99.01445	0.9
100.07643	0.4
101.00883	0.4
110.97366	0.2
114.03762	100.0
114.09175	4.7
115.02175	0.6
115.04099	1.0
116.98560	0.3
119.01933	1.6
132.04791	1.3
138.14742	0.2
142.03491	0.5
142.08640	0.8
144.06499	0.3
160.04292	19.1
160.09679	2.2
161.04633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.6
57.93571	0.5
58.06874	0.2
58.99879	0.2
59.93114	10.2
65.01250	0.2
68.05036	0.2
71.53282	0.3
74.95437	0.5
76.93369	1.1
77.93429	0.4
77.94153	3.6
78.93125	0.5
82.01465	0.2
82.99809	1.2
94.94437	0.2
95.94590	0.3
95.95190	2.8
96.08135	0.2
98.97584	0.9
99.97923	0.4
100.02490	1.1
100.95731	1.1
100.97184	0.5
101.00880	16.5
101.95036	1.9
105.07018	0.5
114.09183	2.4
115.98116	0.3
116.97246	0.7
116.98606	0.9
117.95992	0.4
117.98982	0.6
118.03519	2.9
118.06541	1.1
118.96774	31.9
118.98189	0.8
119.01925	100.0
119.96136	1.1
119.96836	0.4
119.98785	0.3
120.01985	1.2
121.01577	0.2
121.02393	0.4
124.02418	1.9
132.08102	0.4
132.96712	0.3
132.98286	0.3
133.03485	1.5
133.99104	2.5
134.99644	0.8
136.00000	0.7
136.04553	2.2
136.95422	1.4
137.00143	0.9
137.02962	42.6
137.97116	1.4
137.99806	0.3
138.03075	0.6
139.53749	0.2
141.98373	1.1
142.03505	39.0
143.03645	1.0
148.81306	0.2
150.95732	4.2
151.04544	0.8
154.96472	13.2
155.98134	0.4
156.05058	0.9
160.04564	22.5
160.07491	0.5
160.09689	1.1
161.02972	2.1
161.04628	0.7
161.05931	0.3
161.09567	0.4
165.05116	1.5
172.97543	2.2
174.06158	0.6
177.98041	1.6
178.05624	4.5
179.02501	0.3
179.04018	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	160.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.01880	0.8
55.05522	1.3
56.05041	9.8
56.96565	6.7
57.03441	1.1
57.07083	0.9
57.98811	1.4
58.99591	42.4
59.93114	12.6
60.04518	0.9
61.01155	0.7
68.05041	2.6
69.03456	1.4
69.07062	1.4
70.06590	1.6
71.95277	0.7
72.04501	0.8
72.08161	1.8
72.93826	0.9
73.01144	14.0
74.00665	0.7
76.93380	1.2
77.94157	4.2
79.05482	1.0
81.05829	1.7
84.08170	3.9
84.96039	0.7
85.02936	1.0
86.00674	2.9
86.06078	2.0
86.99061	23.5
86.99576	1.3
87.02707	0.7
87.04464	1.2
88.02230	2.5
88.03986	3.2
88.07676	0.6
91.05483	1.2
95.95204	2.8
96.04604	0.6
96.08130	1.7
97.02905	1.5
98.97037	0.8
98.97579	3.8
99.01446	1.6
99.97938	1.8
100.07624	0.8
100.95725	1.6
100.97200	1.3
101.00881	1.6
101.95050	2.7
105.00101	23.9
105.07041	2.0
113.02370	0.8
114.03764	100.0
114.05495	2.8
114.09175	12.2
115.04093	1.2
115.05485	2.1
116.97218	1.2
116.98638	3.2
117.05764	0.9
117.07086	0.9
117.98979	2.0
118.06568	2.2
118.96771	37.8
118.98183	1.3
119.01923	10.7
119.96059	1.9
126.12825	0.7
130.06546	0.6
132.08076	3.7
133.06505	1.4
133.10139	1.0
133.99124	2.0
134.99666	3.6
135.99985	1.6
136.95503	1.8
136.99229	1.5
137.02948	4.4
137.97112	1.4
141.98329	1.2
142.02171	1.1
142.03481	3.0
142.08636	1.9
146.99637	0.6
150.95717	3.9
153.00749	0.7
154.59135	0.8
154.96469	14.8
160.00648	2.4
160.04292	28.6
160.07573	8.3
160.09671	4.9
161.04671	1.1
161.05966	1.1
161.07101	5.9
161.09651	1.5
172.97591	2.4
177.04175	0.7
177.98143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03950	0.5
55.05516	0.5
64.78025	0.6
67.05506	4.9
76.93365	3.9
79.05496	4.6
81.07058	3.7
91.05483	16.9
93.07052	1.6
94.94415	1.8
95.04990	0.7
96.08085	0.6
97.01118	1.1
98.01886	0.6
98.20598	1.1
103.05477	0.8
105.07030	13.8
106.07331	0.7
113.02371	1.8
114.03828	0.7
114.09165	3.7
115.05441	4.9
116.06224	1.6
116.98312	7.0
117.07025	52.1
117.95981	4.1
118.07870	0.5
119.08587	4.2
125.20556	0.5
128.06192	1.2
129.07014	10.4
130.07797	14.8
130.99841	0.9
131.08574	86.4
132.00243	0.5
132.08900	2.0
135.96992	1.9
141.01848	5.2
142.07799	0.9
143.08618	0.6
144.09346	9.5
157.10126	2.0
158.99342	1.9
159.00972	0.4
159.03011	0.6
159.08063	2.0
159.11699	100.0
160.04224	0.6
160.09718	0.7
160.12070	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	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.9
58.99612	0.6
65.03949	0.9
67.01868	0.5
67.05516	3.9
71.55186	0.5
76.76939	0.6
76.93372	4.8
79.05494	3.0
81.07055	2.7
85.02936	0.6
91.05487	18.9
93.07053	1.7
94.94427	1.3
95.04982	2.0
97.01144	0.9
98.01919	0.9
105.07039	15.5
113.02390	1.6
114.03767	0.5
114.09177	2.6
115.05439	4.0
116.06249	1.9
116.98325	5.7
117.07024	47.0
117.95979	4.1
118.07951	0.7
118.96762	0.8
119.08595	5.7
126.01393	0.5
128.06189	0.7
129.07005	11.1
130.07796	14.0
130.99843	1.5
131.08577	84.4
132.08899	1.9
135.97031	2.4
141.01845	4.3
141.07034	0.5
142.07741	0.9
144.09358	11.4
157.10158	3.4
158.99342	1.8
159.01009	0.7
159.03012	0.6
159.08183	3.4
159.11700	100.0
160.09695	1.5
160.12024	2.6
164.27246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.17673	0.4
58.99590	0.8
61.01163	0.8
67.05511	3.7
69.03432	0.5
69.99947	0.4
70.15906	1.2
71.55505	0.4
72.04507	0.5
76.93369	4.1
79.05506	4.4
81.07067	4.3
85.06533	0.4
86.52486	0.4
91.05489	15.8
93.07053	2.1
94.94418	1.4
95.04972	1.8
97.01137	1.2
98.01925	1.2
99.02728	0.5
103.05486	0.7
105.07038	12.9
111.02686	0.5
111.26662	0.5
112.03497	0.7
113.02377	1.2
114.03729	0.8
114.09171	2.8
115.05462	4.7
116.06255	2.4
116.98309	10.0
117.07025	44.2
117.95987	4.2
118.07255	0.4
118.07897	0.6
119.08592	4.0
126.01411	0.6
128.06192	0.8
129.07013	10.4
129.07909	0.8
130.07796	12.7
130.99847	2.2
131.08575	77.9
132.08922	1.5
135.97040	1.4
141.01833	3.4
142.07787	0.8
143.08559	0.5
144.05791	0.6
144.09346	8.8
150.06725	0.4
157.10129	2.1
158.99445	2.5
159.01003	0.4
159.02953	0.8
159.08185	4.1
159.11699	100.0
160.09695	0.8
160.12016	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	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02171	0.6
53.03958	1.0
55.04900	0.5
57.07096	0.5
58.99602	0.7
59.93108	0.5
67.05518	4.3
70.06600	0.9
73.01160	0.6
76.93371	8.5
79.05497	3.9
81.07073	2.6
85.02892	0.8
85.07387	0.5
91.05490	18.0
93.07046	1.7
94.94415	2.8
95.04961	2.7
97.01150	1.7
97.21025	0.5
98.01914	2.0
99.02737	0.8
99.08124	1.4
100.48680	0.6
103.05464	0.6
105.07042	16.2
111.02710	0.7
113.02406	2.3
114.03784	1.0
114.09181	5.2
115.05457	4.8
116.06239	2.5
116.98309	12.7
116.99102	1.0
117.07027	46.5
117.95977	6.2
118.96761	1.1
119.08585	6.4
119.39207	0.6
121.90960	0.5
126.01357	0.7
128.06233	0.6
129.07016	10.2
130.07819	13.4
130.99890	1.0
131.08580	87.4
132.08907	2.2
135.97021	4.9
141.01842	7.6
142.07724	0.7
143.08534	0.7
144.09355	10.8
157.10153	1.7
158.99500	3.9
159.00629	0.7
159.02869	0.8
159.06956	1.1
159.08073	4.1
159.11705	100.0
160.09711	1.6
160.12016	2.7
179.38928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
51.33734	0.5
55.01875	1.3
55.05515	0.9
56.05042	1.2
56.96575	7.5
57.00941	0.5
57.03432	0.6
57.07082	0.8
57.93579	1.0
59.93109	2.6
60.04536	3.9
67.05521	1.1
68.05051	0.6
69.03444	1.3
69.07072	0.7
69.42961	3.6
70.02962	1.3
70.06606	1.9
71.01364	0.7
71.04998	1.0
71.95282	1.4
72.04536	0.7
72.08161	4.8
72.93803	0.5
73.01153	0.5
73.02926	1.3
73.95687	1.2
74.06095	1.1
75.93620	0.6
76.93375	8.4
77.94164	1.0
81.07044	1.0
84.04511	0.8
84.08144	2.8
85.02907	1.4
86.06097	0.6
86.09705	3.4
87.05592	3.9
90.94897	0.6
91.05508	1.7
94.06559	1.1
94.94418	2.5
95.04986	0.6
95.95197	0.9
96.04511	1.6
96.08153	2.6
97.02910	0.8
98.02425	0.6
98.97592	20.6
99.04477	1.2
99.05569	1.0
99.97969	0.8
103.05466	0.8
103.09471	0.5
105.07042	1.9
113.02365	3.4
113.06007	0.7
113.07922	0.6
114.03777	7.5
114.05544	1.1
114.09172	7.2
114.98338	0.7
115.04187	0.5
115.05462	17.5
116.04992	1.4
116.97226	1.9
116.98630	19.3
117.01917	0.8
117.05763	15.6
117.07027	1.2
117.95985	6.4
117.97607	1.1
117.99016	0.5
118.06558	3.1
118.96771	7.6
119.01956	1.0
119.03420	1.2
128.87094	0.5
129.07016	1.1
129.10271	0.8
130.06534	25.4
131.04961	1.3
131.06963	1.7
131.08565	2.3
132.08098	100.0
133.08449	2.0
134.99670	16.0
135.95528	0.7
135.97028	3.5
136.00000	0.6
136.95390	0.7
140.04942	1.3
141.01837	10.1
141.06660	0.7
142.06528	23.5
143.07233	1.0
144.06863	0.9
144.09328	1.4
148.97740	0.6
149.95990	0.9
150.95714	0.7
153.00694	2.7
153.96567	2.8
154.96452	2.4
158.01315	0.8
158.08473	2.5
158.99699	0.6
159.01137	1.9
159.09183	84.8
159.11633	2.8
160.04434	1.2
160.07585	16.7
160.09612	1.7
174.70103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
54.98648	0.4
55.01859	0.4
55.05512	3.0
56.05027	0.4
56.96571	29.8
57.03439	0.5
58.69194	0.2
59.93111	0.5
60.95831	0.3
61.02922	0.8
67.05511	0.5
69.03436	1.1
69.07067	0.4
69.30886	0.2
70.06606	0.8
70.10754	0.9
70.98110	0.4
71.04996	0.5
71.06924	0.3
71.95271	6.0
72.08166	0.6
73.02911	0.5
73.06549	0.9
73.95708	0.4
74.06084	0.3
74.57750	0.3
76.92942	0.3
76.93351	1.3
81.03407	0.6
81.07078	0.5
84.04536	0.3
84.07676	0.5
84.08141	3.8
84.96038	0.9
85.02911	1.0
86.09705	1.1
91.05494	0.5
95.04943	0.3
96.08065	0.2
97.02876	1.2
97.96817	0.4
98.01299	0.3
98.97591	100.0
99.04446	1.3
99.97926	4.2
101.00897	1.0
102.53123	0.7
109.05053	0.3
111.04459	0.3
111.53644	0.9
112.07640	1.2
113.05933	0.4
113.07138	0.2
114.03757	0.5
114.09146	0.4
116.98630	76.7
117.07071	0.4
117.96043	1.5
117.96756	0.3
117.97626	0.3
117.98963	3.7
118.96759	1.4
118.99039	0.6
119.01895	1.6
119.04969	0.5
119.29497	0.3
120.03347	0.2
122.03700	0.3
127.00278	0.5
128.98656	0.3
129.03972	0.6
129.10245	0.6
130.08629	0.9
131.00166	1.0
131.01892	0.7
131.05528	0.9
132.08086	0.6
133.01692	0.4
134.99670	39.0
136.00026	2.3
137.00056	0.4
137.03004	0.4
137.05986	2.6
138.05219	0.3
140.00188	1.9
141.01801	1.3
141.97031	0.3
142.03481	0.6
143.01909	2.6
144.02040	0.4
144.08096	0.4
147.04443	0.4
147.05826	1.1
149.01270	0.7
149.06631	1.8
153.00739	5.2
153.96732	0.8
154.96567	0.6
156.03371	0.4
158.01250	1.2
158.99663	0.7
159.02979	0.5
159.11664	0.6
159.15750	0.3
160.07640	0.5
161.02982	2.9
162.03098	0.4
163.02727	0.5
174.04338	0.4
177.00752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32161	0.2
54.98637	0.5
55.67439	0.3
56.96568	12.1
57.93582	1.6
69.91386	1.0
71.95270	3.2
72.39740	0.3
75.94621	0.5
84.17403	0.3
98.55759	0.3
98.97588	100.0
101.62898	0.2
116.97239	5.4
116.98624	62.8
117.99072	0.3
118.03590	0.3
119.01959	0.3
121.01695	0.3
131.99622	0.3
132.49779	0.4
134.95844	0.5
134.99666	24.3
140.00212	1.2
140.14423	0.3
140.36621	0.3
144.31891	0.3
152.96922	1.6
153.00722	2.3
158.01212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12815	0.4
55.05529	0.4
56.96570	14.6
57.03469	0.4
57.93571	1.8
68.38971	0.4
69.07083	0.5
70.06603	2.4
70.59252	1.0
70.59617	0.8
71.05013	0.4
71.95264	2.8
72.34526	0.4
75.94604	0.6
83.56315	0.5
84.04530	0.4
84.08137	0.6
89.64500	0.4
97.02908	0.6
98.06078	0.7
98.97591	100.0
102.53132	0.7
104.03976	0.4
111.53669	0.4
112.07610	2.5
112.11179	0.4
112.55747	1.2
116.07073	0.6
116.97237	6.3
116.98628	63.9
117.98986	0.4
119.01846	0.4
120.54137	0.4
130.08620	0.7
131.00163	0.7
134.95869	0.6
134.99673	26.1
136.10219	0.4
140.00165	2.0
140.07077	0.5
149.01221	0.5
152.96884	2.5
153.00711	2.3
158.01265	1.0
158.06476	0.4
158.08116	0.4
158.09595	1.4
158.15469	0.5
161.02846	0.4
170.98077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98639	0.4
56.96574	13.7
57.93581	0.5
58.06624	0.5
62.95469	0.2
70.06597	1.2
70.97380	0.6
71.95271	2.7
75.94600	0.5
84.08153	0.7
86.09737	0.4
98.97595	100.0
103.00585	0.3
111.34951	0.3
112.07617	0.4
112.08721	0.4
116.07186	0.4
116.97247	4.0
116.98634	61.0
117.04010	0.3
119.01910	0.6
121.01676	0.6
127.03954	0.3
130.06587	1.3
131.00180	0.7
131.36945	0.3
134.99673	23.1
135.03172	0.5
140.00246	1.4
144.03334	0.4
146.99667	0.3
149.01192	0.3
152.96922	0.9
153.00717	1.9
155.69952	0.3
158.01259	1.0
158.06038	0.9
158.09471	0.8
158.15408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0497
Annotation	Opuntiol
Peak:m/z	Relative Intensity
53.03946	1.2
53.04179	0.4
55.01865	0.5
55.05509	0.9
57.93563	0.9
58.99588	1.1
59.05004	0.5
61.01143	0.6
62.99067	0.3
65.03957	0.3
67.01861	3.0
67.05518	0.3
68.02659	0.3
69.03431	15.0
69.07072	2.0
69.56937	1.8
69.65546	0.2
70.03752	0.3
70.06582	0.9
70.95875	0.6
71.05015	0.4
71.95893	0.3
72.08166	0.4
72.93784	0.8
73.01123	0.3
73.93834	0.5
74.93833	17.2
79.01859	0.5
79.05487	0.8
81.07068	0.4
83.01329	0.3
83.04969	1.2
83.06097	0.4
85.01120	0.8
86.09705	0.6
91.05484	0.5
92.94872	4.8
93.07034	0.5
97.02895	25.2
97.06522	0.8
97.10200	0.5
98.03219	0.4
98.97592	0.5
110.07169	0.3
110.95887	0.3
111.02699	0.4
111.04440	1.0
111.08103	0.5
112.07608	0.5
113.04208	0.3
113.86538	0.3
115.03941	1.1
115.96442	14.8
116.97243	1.8
123.02689	0.4
124.01580	8.8
124.02481	0.6
124.03414	1.7
125.02359	100.0
126.02681	1.5
128.06239	1.0
129.05519	0.4
129.07016	3.5
130.06520	0.8
131.21960	0.3
132.95874	0.6
133.96036	0.6
133.97482	7.9
136.64626	0.3
139.03920	1.2
139.11168	0.3
141.06996	1.4
142.02618	4.3
142.07790	7.7
143.03406	2.8
143.07346	0.5
143.08565	1.5
150.96895	1.4
151.97134	1.6
156.97847	0.5
156.99164	1.0
157.01416	9.2
157.04974	20.4
157.06415	0.9
157.07648	0.9
157.10129	6.5
158.05173	0.3
158.08311	0.5
158.09668	1.9
158.10841	0.6
174.23474	0.2
179.55438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.077
Annotation	D-Histidine
Peak:m/z	Relative Intensity
51.35491	0.2
55.01883	0.8
55.05516	0.8
55.93526	0.5
56.05030	1.2
56.96572	4.4
57.03446	0.9
58.99867	0.6
61.01133	0.3
61.02930	0.6
62.99074	0.2
67.05525	0.2
67.14846	0.2
68.05033	1.8
68.25665	0.2
68.68970	0.2
69.03436	0.9
69.72909	0.4
69.73306	0.8
70.06598	0.5
70.95867	4.1
72.08162	0.5
72.52961	0.2
72.93791	3.7
73.02928	0.9
74.09724	1.0
74.97613	0.3
75.01031	0.4
77.00919	0.3
80.00297	0.3
80.05035	0.2
81.03435	0.3
81.04553	0.9
82.01465	0.4
82.05320	2.5
82.06577	0.6
82.99862	0.5
83.00787	0.8
83.06107	10.2
84.01559	2.1
84.04520	0.3
84.06458	0.2
84.08144	0.5
85.01449	0.3
85.02907	1.0
85.07681	0.4
88.96906	1.0
89.00817	0.4
89.25246	0.2
90.01565	1.1
90.25320	0.2
90.94839	1.2
92.01307	0.4
93.02087	1.3
93.04536	6.7
95.01330	0.3
95.06094	7.1
96.01541	0.7
96.04491	0.4
97.02891	0.8
98.01246	0.5
98.20814	0.4
98.97582	1.5
99.02092	0.5
100.02506	1.3
101.00884	5.7
101.02559	0.5
101.68176	0.3
102.00963	0.3
102.01604	0.3
103.00620	0.3
103.02445	1.8
104.01294	0.3
104.96395	0.4
105.02094	1.3
108.64278	0.2
109.65287	0.2
110.07170	100.0
110.09637	1.9
110.52901	0.2
110.97550	0.3
111.02071	1.6
111.05589	0.8
111.07500	1.1
111.98492	2.0
112.08733	0.3
112.99099	0.3
113.01787	0.5
113.96410	0.6
114.00998	0.6
114.05518	0.5
115.00651	0.4
115.02425	1.0
116.98644	0.4
117.02036	0.4
118.03514	0.6
119.01926	22.4
120.01942	1.4
121.01625	0.4
121.03505	0.8
124.02467	0.9
128.98581	0.4
129.99525	0.6
130.06294	1.2
131.00168	1.1
131.01915	0.8
132.02002	3.0
132.05078	0.4
132.95842	6.8
133.01688	2.0
133.03471	6.4
136.12465	0.2
137.02963	5.9
138.03104	0.3
138.05528	0.9
138.06555	0.2
142.03506	9.9
146.99657	0.3
149.01225	3.2
150.03120	0.6
150.96896	8.5
150.98882	0.3
151.02725	0.3
151.04526	2.0
155.97404	0.5
156.04150	4.9
156.06593	0.4
156.07692	7.9
156.10168	1.5
160.04564	2.7
161.02972	0.3
167.02298	1.0
168.97888	0.3
173.98512	0.8
174.06148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	p-Mentha-1,8-dien-4-ol
Peak:m/z	Relative Intensity
53.03936	1.9
55.01865	1.5
55.05511	9.7
57.03440	5.5
57.07066	2.5
58.99577	1.2
61.01146	1.9
61.74459	1.0
62.98787	1.5
62.99084	16.2
65.00641	9.9
65.03931	4.0
67.05505	29.7
69.03435	4.8
69.07071	51.3
70.94263	10.0
70.95866	5.2
71.01352	3.6
71.04984	2.2
71.15746	1.7
71.94094	3.7
73.01140	1.9
75.97242	0.9
79.05061	1.6
79.05498	28.4
81.07064	35.8
83.05000	6.3
83.08624	5.6
85.02896	2.0
85.06544	2.4
88.46458	1.0
88.95306	2.7
88.96929	0.9
89.02396	15.4
91.05475	4.9
93.03407	2.0
93.07048	46.3
95.01337	3.7
95.04987	2.5
95.08614	16.6
97.06539	19.4
103.18579	0.8
104.98278	1.0
107.01662	27.3
107.04920	1.9
107.08601	47.4
109.10162	31.8
110.03646	1.1
111.04429	4.1
111.08082	6.8
111.96875	7.6
111.98494	1.0
112.96680	1.1
124.08782	1.1
125.04198	1.8
125.05186	1.0
125.05971	5.0
126.06305	1.6
129.97942	5.4
134.93951	0.9
135.11699	100.0
136.03885	0.9
136.12013	2.4
152.95056	1.2
153.05486	3.6
153.07433	5.4
153.09113	2.7
153.12752	85.9
153.87166	0.9
154.13080	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36147	0.6
55.01865	1.6
56.05026	1.3
56.96571	15.5
57.03436	3.3
58.99867	3.6
62.53549	0.7
62.99080	1.4
64.98658	6.4
65.00635	0.8
67.00228	4.3
68.05024	1.5
69.03419	2.5
70.06609	1.0
70.95853	2.2
70.99856	2.5
71.01348	2.9
71.04978	1.1
71.54631	1.0
72.08150	0.7
72.93795	14.6
73.02925	3.9
74.00273	0.8
74.09704	0.6
74.97607	1.0
75.01063	1.4
77.00899	2.6
81.03427	1.9
81.04519	0.9
82.01465	4.5
82.05309	2.0
82.99847	1.6
83.00764	2.8
83.04987	0.9
83.06109	8.1
83.52050	0.6
84.01579	3.1
84.04502	1.0
84.08144	1.2
84.96009	0.8
85.01426	1.3
85.02901	3.2
85.15314	0.6
88.03991	1.4
89.00823	2.7
89.02407	6.5
89.04327	1.4
90.01531	0.6
90.94846	3.3
92.01306	1.0
93.02047	0.7
93.04523	4.1
95.01335	0.9
95.01928	0.8
95.06102	6.5
96.01582	0.7
96.06446	1.0
97.02879	3.2
97.09746	0.8
98.01308	1.0
98.97590	4.9
99.04448	1.2
100.02487	17.5
100.23663	0.7
101.00888	20.3
101.01572	1.1
102.00933	0.8
102.01540	1.0
102.02413	1.3
103.00570	0.8
103.02454	4.7
104.01243	1.2
105.00290	1.0
105.02070	0.9
107.01686	1.6
109.01251	7.7
109.02027	1.4
109.02888	1.3
109.07644	0.7
110.01292	1.2
110.07170	68.2
110.09672	1.7
110.97581	2.0
111.02053	3.1
111.02863	1.4
111.04429	1.4
111.98502	1.2
112.99158	1.0
113.00871	20.5
113.96415	7.1
114.00941	1.2
114.04051	1.8
115.02432	2.4
116.98614	2.3
118.03532	9.9
119.01927	59.7
120.02007	1.1
121.03471	2.0
122.53714	1.0
123.04018	0.9
124.02506	1.8
125.01829	0.8
127.03920	1.8
127.07568	0.8
128.98608	3.0
131.00240	2.6
131.01913	100.0
131.95181	0.7
131.96176	1.9
131.97412	4.5
131.99706	0.7
132.01952	7.9
132.05055	3.4
132.95805	4.1
133.01628	1.3
133.03470	11.2
137.02977	10.3
138.09198	0.8
142.03511	14.0
145.03462	3.9
146.99644	2.2
147.05057	0.7
149.01196	3.7
149.02965	18.4
149.97206	2.1
149.98364	2.5
150.03032	1.8
150.06085	1.4
150.96883	4.8
151.04535	2.6
154.03522	2.9
155.01903	9.1
155.03493	1.9
155.07005	1.4
155.08160	1.2
155.11835	0.8
156.04210	2.3
156.07692	5.5
156.10223	0.8
158.99693	0.9
160.04564	3.2
165.00708	1.9
167.02318	1.6
173.01405	1.2
173.02975	13.6
174.03151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28074	1.2
59.09722	1.1
69.92327	4.6
73.52650	1.2
74.09348	1.4
74.09727	21.0
83.06122	6.2
93.04547	3.6
95.06107	2.2
96.96910	3.6
110.07174	42.5
112.05239	3.0
115.02415	1.2
130.06328	20.9
132.02016	3.6
133.01640	1.1
133.03481	1.8
150.03110	1.2
156.04228	100.0
156.07692	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	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03480	0.2
55.01875	0.9
55.05516	0.5
56.05039	1.3
56.96567	5.7
57.03445	1.2
58.99869	0.6
60.25182	0.2
60.95841	0.2
61.02920	0.8
62.99072	0.3
66.27732	0.2
67.01873	0.2
67.04276	0.2
68.05035	1.1
69.03436	1.2
69.39826	0.9
69.40236	0.4
70.06604	0.5
70.95870	3.4
70.99868	0.5
72.08157	1.1
72.93794	3.1
73.02930	1.2
74.09723	1.0
74.97635	0.4
75.01047	0.8
77.00895	0.3
78.52956	0.3
80.00244	0.2
81.03422	0.7
81.04533	0.8
82.01435	0.7
82.05325	2.8
82.06581	0.5
82.99836	0.8
83.00790	0.8
83.01459	0.2
83.05019	0.3
83.06107	10.7
84.01106	0.3
84.01571	3.3
84.04514	0.3
84.08155	0.5
84.79684	0.2
85.01402	0.7
85.02914	1.5
85.07670	1.0
86.06100	0.2
88.96914	0.7
89.00802	0.9
90.01559	0.7
90.94839	0.9
92.01296	0.6
92.52682	0.3
93.02094	1.4
93.04535	8.2
95.06096	7.5
96.01558	1.3
96.04518	0.2
97.01444	0.2
97.02377	0.2
97.02881	1.2
98.01281	0.4
98.09712	0.4
98.97589	1.3
99.02078	0.3
99.04457	0.2
100.02492	2.1
101.00884	11.9
101.02493	0.8
101.53240	0.3
102.00964	0.6
102.01595	0.4
102.02266	0.3
103.02441	2.8
104.01288	0.3
105.02065	1.4
107.01725	0.2
109.02887	0.5
110.01302	0.4
110.07170	100.0
110.09640	1.6
110.97581	0.3
111.02056	2.1
111.02792	0.3
111.05558	1.0
111.06847	0.2
111.07509	1.0
111.98463	1.5
112.02892	0.2
112.08712	0.3
112.99119	0.4
113.00843	0.3
113.01772	0.2
113.96432	0.2
114.00969	0.9
114.02615	0.4
114.04021	0.4
114.05511	0.2
115.00662	0.4
115.02430	1.6
116.98621	0.7
117.02058	0.7
117.25183	0.2
118.03532	1.3
119.01923	47.5
119.52010	0.2
120.01957	2.6
121.01653	0.5
121.03472	1.2
124.02463	1.6
126.02545	0.4
126.03970	0.3
127.03926	0.4
128.02298	0.4
128.98631	0.7
129.01991	0.2
129.99507	0.5
130.06281	0.8
131.00185	2.2
131.01901	1.6
132.02008	4.7
132.05075	0.6
132.95844	4.9
133.01698	2.8
133.03471	9.5
134.03592	0.3
134.99626	0.2
137.02962	11.9
138.03027	0.5
138.05545	0.2
142.03508	18.5
143.03630	0.7
144.05058	0.3
146.99641	0.5
147.05054	0.2
149.01222	4.8
149.03023	0.3
150.03073	0.7
150.06021	0.2
150.96896	7.8
151.02731	0.5
151.03317	0.2
151.04535	2.9
155.97429	0.5
156.02089	0.4
156.03053	0.3
156.04080	2.8
156.05183	0.8
156.07693	8.3
156.10211	1.6
156.14981	0.2
157.03505	0.4
160.04570	4.7
161.02803	0.2
165.05099	0.6
167.02303	1.5
172.09128	0.2
173.98459	0.5
174.03137	0.6
174.06139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.4
53.00319	0.3
53.03950	2.4
55.01878	3.0
55.05518	2.4
57.03440	5.2
58.86792	0.3
58.99590	1.0
61.01155	3.8
62.99078	11.4
63.21497	0.3
63.94432	0.8
65.00646	8.0
65.03946	4.2
67.01869	0.5
67.05503	2.3
68.99801	0.5
69.03434	57.1
69.07071	4.4
69.67155	2.0
70.03759	0.6
70.94269	3.7
70.95867	1.1
70.99591	0.7
71.01358	2.0
71.04993	0.5
71.94102	0.5
72.00359	5.0
73.01147	2.9
74.01920	1.3
75.02713	3.7
77.03944	0.7
78.96795	0.4
79.05499	22.1
81.03427	0.6
81.07059	4.4
83.01353	2.8
83.04977	3.6
85.02910	52.5
86.03267	0.5
87.02711	2.0
88.03485	1.3
88.95293	0.8
89.02396	10.4
91.05482	2.3
93.03411	2.3
93.07066	2.7
95.01334	100.0
95.04969	7.8
95.08634	1.6
96.01680	1.0
97.02896	1.0
97.06536	15.6
104.98330	3.6
105.04544	0.8
105.07024	0.8
105.99144	0.9
107.01665	17.4
107.04956	6.2
107.06077	0.4
107.07322	0.4
107.08598	4.3
109.02885	0.7
109.06518	1.3
109.10161	1.4
110.03687	1.0
110.93958	2.3
111.04447	6.6
111.08091	1.5
111.96874	2.0
117.07055	0.5
119.06082	0.5
120.00650	6.2
121.02860	0.6
125.02327	0.4
125.06000	18.5
125.09594	0.5
129.97902	1.7
130.96312	0.5
135.04433	2.1
135.08064	6.8
135.11703	1.0
136.07538	0.3
138.06720	0.3
148.97336	0.4
153.00127	0.4
153.02087	0.6
153.05504	4.7
153.06627	0.3
153.09094	3.7
153.12738	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01876	2.4
55.05517	3.1
57.03436	4.5
58.99589	1.1
59.04986	0.5
61.01157	5.0
62.99081	17.5
65.00643	12.3
65.03950	3.5
65.48295	0.4
67.01874	0.5
67.05501	3.0
68.99796	6.9
69.03434	57.9
69.07081	4.6
70.03777	0.4
70.43504	1.4
70.94260	8.3
70.95861	2.1
70.99597	0.6
71.01354	3.1
71.94105	0.8
72.00355	0.9
73.01150	2.0
75.02718	0.7
77.03965	0.5
77.37215	0.3
78.96778	2.0
79.05498	22.2
79.18351	0.4
80.05837	0.5
81.03426	2.0
81.07057	5.3
83.01340	2.6
83.04986	3.8
83.08645	0.5
85.02911	51.8
85.10213	0.9
86.03240	0.7
87.02689	2.4
87.47353	0.5
88.03477	1.8
88.95313	2.9
88.96915	1.0
89.00625	1.6
89.02396	17.0
91.05483	1.5
93.03411	1.7
93.07034	2.9
95.01335	100.0
95.04971	5.8
95.08620	1.2
96.01672	1.5
97.01134	0.9
97.02880	1.7
97.06535	17.0
104.98307	4.5
105.04515	0.9
105.07033	0.6
106.96337	0.6
106.97902	1.4
107.01662	27.1
107.04954	7.2
107.08601	3.3
109.02858	0.5
109.06500	1.1
109.10154	1.1
110.03684	1.0
110.93967	4.7
111.02746	0.5
111.04448	7.9
111.07453	0.4
111.08097	2.7
111.96873	4.7
111.98485	0.5
117.99142	0.7
118.97891	0.8
119.98681	1.7
120.00644	0.6
125.02402	0.5
125.05997	18.0
125.09641	1.4
129.97929	3.6
130.96376	0.4
135.01178	0.5
135.04417	1.6
135.08063	1.0
135.11757	0.7
136.07545	0.6
148.97415	0.8
152.96634	0.7
153.01967	1.1
153.05469	5.0
153.06947	3.5
153.09102	3.2
153.12723	1.4
154.04979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01872	2.0
55.05517	1.1
57.03439	3.6
62.99080	8.8
65.00326	0.5
65.00646	6.7
65.03941	2.0
65.59113	0.4
67.05514	1.8
68.99812	0.4
69.03432	56.3
69.07073	3.0
69.42609	0.4
70.03795	0.4
70.94257	1.9
70.95859	0.5
71.01361	1.7
71.56013	0.4
73.69650	0.4
77.03917	0.8
79.05499	20.2
81.03420	0.9
81.07061	5.0
83.01355	2.0
83.04977	1.2
85.02909	54.4
86.03246	0.6
89.02401	7.2
91.05493	0.5
93.03414	1.2
93.07042	0.8
95.01334	100.0
95.04969	3.8
95.08625	0.5
96.01669	1.6
97.02883	0.8
97.06541	14.0
105.04499	0.8
107.00930	0.7
107.01658	12.3
107.04961	5.5
107.08588	0.9
108.86886	0.4
109.02888	0.5
109.06503	0.6
109.10141	0.6
110.03690	0.5
111.04456	3.0
111.08052	0.4
111.96870	1.4
125.06002	16.0
126.75115	0.4
129.97948	0.6
135.04395	2.0
135.08049	0.7
153.01981	0.4
153.05479	3.4
153.07272	0.4
153.09138	0.5
153.12677	0.7
154.46014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
56.96561	1.3
61.01152	0.9
62.45231	0.4
62.99079	4.3
63.00710	0.5
65.00647	2.2
70.02966	6.6
70.69764	1.3
71.01365	1.1
71.03729	1.6
73.02917	2.8
74.02433	0.4
85.14106	0.4
88.02223	1.7
88.03999	100.0
89.02404	3.6
89.04340	0.9
89.04785	4.2
103.02493	0.7
106.03261	3.6
107.01665	6.1
110.97591	1.7
128.98654	1.5
131.12999	0.5
134.06081	0.9
146.99670	0.7
147.01437	1.3
152.03809	1.0
152.05740	1.0
152.07004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02993	0.6
56.96569	2.9
69.67878	0.3
70.99876	0.8
71.42039	0.3
72.85067	0.3
80.02524	0.3
82.04076	0.6
85.01437	0.4
88.03985	1.5
89.02431	0.3
100.02518	0.3
103.02425	0.4
107.01682	0.6
107.03573	0.6
109.05132	2.3
110.03532	11.5
110.97596	1.7
111.08250	0.3
119.01849	0.3
128.04567	3.9
128.98619	2.8
134.04616	1.3
134.06064	0.7
135.03029	23.0
136.01433	0.8
143.87961	0.3
146.99646	1.8
147.01422	0.6
147.05058	0.4
150.07442	0.3
152.05682	100.0
152.51949	0.3
153.04083	30.5
153.06084	0.9
154.02397	0.5
154.04457	0.4
161.06566	0.3
165.00639	0.3
167.05704	0.3
170.02988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03948	2.5
55.01861	1.9
55.05515	5.9
56.96581	0.6
57.03429	0.8
57.07063	1.9
59.04990	1.4
65.03955	2.8
67.01870	0.5
67.05509	12.8
69.03425	1.9
69.07068	2.6
69.94653	2.5
71.04977	1.0
71.08616	0.7
77.03906	0.5
79.05067	0.6
79.05497	7.2
81.03413	2.0
81.07063	22.7
82.07404	0.6
83.05006	0.7
87.02699	0.9
88.03994	1.8
91.05482	12.7
91.52849	0.5
93.07047	5.8
95.01318	1.9
95.04970	10.3
95.08611	11.1
96.08981	0.5
97.06544	1.5
105.04514	0.8
105.07037	12.0
105.07748	0.6
106.06526	0.5
107.04953	1.7
107.08599	7.6
108.02112	0.6
108.04449	0.5
108.05723	0.7
109.02888	0.8
109.06526	15.9
109.10165	15.2
117.99094	1.8
119.04975	4.2
119.05851	0.8
121.06551	0.9
121.10146	1.9
123.04430	4.2
123.08080	7.7
123.11705	6.1
131.08615	0.8
133.06441	0.6
133.07663	0.6
133.10143	5.9
136.05217	0.6
136.08893	2.3
151.02039	0.9
151.02914	0.9
151.03951	6.6
151.04980	0.9
151.07596	7.9
151.11191	100.0
152.07123	1.3
152.11546	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	151.1119
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
51.60490	0.5
51.68474	0.5
53.03949	5.2
55.01886	1.9
55.05515	100.0
56.05841	0.9
57.03442	0.9
57.07088	2.2
59.04748	0.5
59.04990	2.8
64.95248	0.5
65.03949	2.7
67.05510	22.6
67.05878	1.1
69.03443	2.1
69.07067	3.2
71.04994	0.9
73.01183	0.6
79.05502	11.5
80.05017	0.5
81.03441	1.6
81.07063	38.0
83.01386	0.7
83.04997	1.0
83.08644	0.6
85.06544	0.7
87.95724	0.6
88.03992	2.5
91.05488	12.5
93.07053	11.2
93.07629	0.9
95.01353	1.2
95.04975	14.6
95.08613	12.6
97.06538	14.7
98.20744	2.3
103.05481	0.7
105.07045	12.0
105.07758	0.6
107.08603	13.5
107.09296	1.0
108.05748	1.4
108.09404	0.8
108.65369	0.5
109.06521	14.0
109.10162	26.2
110.07311	1.3
117.99141	0.7
118.84754	0.5
119.04956	2.9
119.06099	0.6
120.19090	0.5
121.06511	0.6
121.10126	1.0
122.52704	0.5
123.04490	1.2
123.08083	7.5
123.11714	11.3
123.12573	0.8
124.22478	0.6
125.09620	0.7
131.08595	0.9
133.06488	2.7
133.10136	5.7
136.05249	0.6
136.08861	1.7
151.02919	1.2
151.03940	4.6
151.05011	1.0
151.07564	10.1
151.08656	0.9
151.11203	23.2
151.12170	0.8
151.14815	1.0
152.07034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03942	5.6
55.01872	3.6
55.05515	100.0
56.05854	1.9
57.03440	1.4
57.07072	3.8
58.06598	1.3
59.05005	3.0
61.01160	1.2
65.03935	5.1
67.05508	33.1
68.99812	0.6
69.03423	5.5
69.07059	5.9
69.07359	0.6
69.54246	3.5
70.02951	0.8
70.16048	0.6
70.99571	0.7
71.08632	1.1
72.08170	1.0
78.41792	0.6
79.05494	16.6
80.05070	0.7
80.94711	2.8
81.03429	3.9
81.07063	47.1
82.07391	0.6
83.01358	1.8
83.04977	1.8
83.08595	1.0
88.03995	10.1
89.04754	0.8
91.05486	30.3
93.07047	15.3
94.55762	0.6
95.01322	1.8
95.04968	21.8
95.08611	25.7
96.08147	1.1
97.06537	16.1
98.20753	1.3
100.07638	0.9
103.05458	1.7
105.04554	1.1
105.07039	20.0
106.04904	0.9
106.06570	1.6
107.04976	2.4
107.08600	16.7
108.02118	1.0
108.05744	2.1
109.02883	1.2
109.06526	22.9
109.10161	32.2
110.06000	0.7
110.07301	1.8
117.07008	0.7
118.06537	0.7
119.04950	11.5
121.06496	1.2
121.10159	2.7
123.04412	3.2
123.08075	12.9
123.11715	14.7
124.07616	2.2
131.08560	1.2
133.06483	3.9
133.10150	7.4
134.06001	2.3
136.01569	0.9
136.05177	1.8
136.08833	1.5
137.06030	0.7
139.04759	0.6
151.02834	2.4
151.03960	10.1
151.05026	1.1
151.07559	23.7
151.08623	1.6
151.11191	50.2
151.14815	3.0
152.07083	2.5
152.11578	1.5
154.02565	0.7
166.74925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03946	1.3
53.30790	0.3
53.94310	0.3
55.01875	0.4
55.05503	0.5
56.20568	0.3
65.03941	5.7
67.05507	2.3
69.07098	0.3
70.62251	0.3
74.02459	0.9
79.05495	2.8
80.06281	0.4
81.03421	1.0
81.07056	3.1
88.03996	2.5
91.05486	100.0
92.05803	1.7
93.03407	0.4
93.07055	2.0
95.01318	0.9
95.04974	10.0
95.08604	2.1
103.05462	0.8
105.07038	3.3
107.04951	1.3
107.08596	1.0
108.02048	0.5
108.05744	1.3
109.02903	0.5
109.06541	1.7
109.10167	1.1
110.06058	0.4
119.04949	52.2
120.05285	0.7
121.06494	0.4
123.04436	1.1
123.08091	3.3
123.11736	0.9
133.06544	0.7
133.10110	0.8
136.05225	9.0
137.05988	5.8
151.02814	1.0
151.03915	3.2
151.05035	1.2
151.07553	48.0
151.11154	2.2
152.06952	0.6
152.08000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.02372	0.4
52.13627	0.4
53.03948	1.1
55.01881	0.6
55.05515	1.0
63.53089	0.3
65.03951	5.3
67.05505	1.3
68.99797	0.4
70.86057	0.4
70.95554	0.3
76.59824	0.3
79.05502	2.4
80.06277	1.2
81.03424	0.4
81.07076	1.6
85.28336	0.3
88.04014	1.2
90.04806	0.3
91.05492	100.0
92.05833	1.0
93.07066	1.4
94.44977	0.3
95.04980	10.5
95.08630	1.1
103.05483	0.8
105.04558	0.4
105.07062	2.0
107.04971	0.8
107.08604	0.8
108.05782	2.0
109.02894	0.4
109.06538	1.2
109.10144	0.4
119.04958	51.1
120.05267	0.7
121.06538	0.4
123.04444	0.9
123.08098	2.3
123.11721	0.5
124.09344	0.3
133.06487	0.3
133.27718	0.3
136.05219	9.7
137.06003	4.9
151.04111	1.5
151.07559	45.2
151.11168	1.3
152.05663	0.3
152.07915	0.9
166.02632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03955	1.1
55.05507	0.5
58.99581	0.8
65.03945	5.7
65.25416	0.4
65.32350	0.4
66.13853	0.4
67.05518	2.5
70.80716	0.9
70.81094	0.8
73.01138	1.3
79.05499	1.7
80.06286	1.0
81.03423	0.6
81.07056	1.8
85.01125	0.5
87.02707	1.4
90.51637	0.4
91.05489	100.0
92.05823	2.2
93.07041	1.5
95.01341	0.5
95.04367	0.6
95.04978	9.9
95.08613	1.9
102.96766	0.7
103.05475	0.4
104.98335	1.0
105.07056	1.8
107.04980	0.9
107.08566	0.4
108.01637	0.8
108.05767	2.0
108.92451	0.6
109.06516	1.4
116.98305	1.3
117.99114	4.3
119.04955	52.8
120.05291	0.8
123.04486	0.6
123.08080	2.3
133.06526	0.4
133.10144	0.8
136.05223	9.2
137.05994	4.8
151.02859	0.6
151.03984	2.3
151.07559	43.1
151.11133	2.0
152.08031	0.6
155.80116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03949	1.6
55.01871	1.0
55.05515	1.2
56.96563	0.6
58.99586	1.9
61.01162	0.5
65.03944	7.7
66.59732	0.5
67.05503	3.2
67.05833	0.5
69.07048	0.5
70.74857	0.9
70.99570	0.7
72.00362	0.4
73.01144	3.4
75.00729	0.5
79.05499	2.9
80.06303	0.9
81.03422	0.6
81.07071	3.1
83.04978	0.6
85.01129	1.6
86.01900	1.2
87.02700	3.3
91.05482	100.0
92.05820	0.7
93.07046	2.2
95.01321	0.8
95.04974	11.1
95.08627	2.9
95.09155	0.5
96.50621	0.5
102.96743	2.3
103.05441	0.9
104.98324	2.0
105.03376	0.5
105.04552	0.7
105.07038	2.5
107.04955	1.0
107.08586	1.5
108.01554	0.6
108.02161	0.8
108.05737	2.1
108.92403	0.9
109.06499	2.3
109.10166	1.4
110.93921	0.8
116.98289	4.0
117.99086	11.0
119.01791	0.8
119.04942	50.5
120.05280	1.1
123.04476	1.3
123.08038	2.3
123.11710	0.8
128.02361	0.7
133.06517	1.1
133.07555	0.5
133.10149	2.1
134.06006	0.6
135.94748	0.4
136.01552	1.1
136.05202	10.9
137.05978	5.4
150.97070	1.6
151.02820	1.8
151.03934	10.1
151.07547	47.5
151.11127	2.7
152.07994	0.7
154.02612	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	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03954	0.7
55.01864	0.4
56.05029	0.3
56.96569	6.0
57.03434	0.8
59.69285	0.3
61.02926	0.6
65.03942	4.7
67.05501	1.1
69.03430	1.2
69.03784	0.3
70.99374	0.5
73.02917	1.0
74.92572	0.3
77.00813	0.3
78.07968	0.3
79.05499	1.6
80.06293	1.1
81.03417	0.5
83.00817	0.4
84.08142	0.6
85.02923	0.8
88.04003	2.4
89.00774	0.3
90.01529	0.3
91.05486	100.0
92.05793	1.5
93.07053	1.0
95.04977	8.7
95.08604	0.5
96.01562	0.6
97.00546	0.3
97.02898	0.3
98.01284	0.8
98.97594	4.9
101.00768	0.6
102.53149	0.6
103.05456	0.7
104.01321	0.4
105.04531	0.4
105.07055	0.7
107.04969	0.4
108.05767	1.7
110.01311	1.7
110.97561	1.2
111.53648	1.3
112.07591	0.8
116.11462	0.3
116.98621	1.7
119.01805	3.1
119.04951	50.8
120.05302	1.2
123.04420	0.4
123.08073	1.2
127.03974	0.3
128.02324	2.0
128.98607	0.9
130.08690	0.4
134.06032	0.5
134.99600	0.4
136.05208	10.5
137.02821	0.5
137.06010	4.1
139.53145	0.4
146.24760	0.3
146.99646	0.3
150.96945	0.3
151.07550	41.7
152.05704	0.7
152.06897	0.6
152.07980	0.4
158.99657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
50.01612	0.2
51.02391	0.2
53.03947	0.6
55.01869	0.3
63.02377	0.2
65.03609	0.3
65.03945	4.7
65.04279	0.3
67.05509	0.5
71.07095	0.3
73.01162	0.2
77.03921	0.2
79.05498	1.3
80.06284	1.0
81.07098	0.4
87.02718	0.2
88.24675	0.2
91.05487	100.0
92.05817	1.7
93.07054	0.5
95.04976	9.6
95.08615	0.5
96.05314	0.2
103.05466	0.8
105.04507	0.3
105.07043	0.7
107.04967	0.6
108.05773	1.4
109.06526	0.4
117.99092	0.7
118.04161	0.5
119.04952	51.9
120.05237	0.9
123.04453	0.2
123.08107	1.3
123.82212	0.2
124.07601	0.2
133.06488	0.3
135.04434	0.2
136.05209	10.1
137.05992	4.1
151.07552	43.0
152.07916	0.8
160.07561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0585
Annotation	L-Methionine
Peak:m/z	Relative Intensity
50.21646	0.5
51.83129	0.4
55.01860	1.1
56.05038	100.0
56.96552	1.6
57.03418	0.8
57.05370	0.8
58.99583	1.3
61.01154	65.5
67.05490	0.6
70.37539	1.2
73.02892	1.1
74.00666	0.6
74.02451	6.1
74.06082	6.2
74.99068	1.9
75.02720	0.7
77.00640	1.1
78.98557	0.8
80.02911	0.5
84.04506	3.8
85.02918	2.7
87.02698	14.2
91.05468	0.9
94.06584	0.6
97.27392	0.5
97.52503	0.6
100.02465	0.6
100.03982	0.7
102.05547	20.4
102.98535	1.0
104.01666	0.9
104.05334	56.0
104.56005	1.0
105.00127	1.2
105.03742	1.4
105.05681	0.7
108.04509	0.5
110.01336	0.8
119.04958	0.6
120.99560	5.7
122.03210	1.2
122.06072	1.2
127.02398	0.7
127.07072	0.6
131.01888	0.6
133.03198	42.4
134.03555	0.6
145.03505	2.5
150.02747	3.6
150.03702	0.6
150.05818	5.5
150.07767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03940	1.1
55.01869	0.5
55.05509	0.7
56.96568	0.8
58.99580	1.1
61.01152	0.5
65.03948	5.3
66.04271	0.5
67.05502	2.5
68.93560	0.4
69.03415	0.5
70.99574	1.6
71.28353	0.8
72.00372	1.2
73.01144	2.1
79.05492	3.2
80.06274	1.4
81.03433	0.4
81.07052	2.8
87.02685	1.2
91.05485	100.0
92.05788	0.7
93.07044	2.7
95.04974	10.3
95.08614	2.5
98.97587	1.3
102.96727	0.8
103.05497	0.8
104.98331	1.0
105.04523	0.4
105.07036	3.2
106.06585	0.5
107.04931	0.5
107.08614	1.3
108.02165	0.5
108.05732	1.7
108.92380	0.8
109.06523	1.6
109.10149	1.4
116.48177	0.5
116.98335	1.8
117.99093	4.2
119.04950	52.0
120.05279	0.8
121.02825	0.5
123.03490	0.5
123.04439	1.2
123.08084	2.7
133.06493	0.6
133.10136	1.2
134.05991	0.4
134.63615	0.4
136.05206	11.1
137.05991	6.2
150.97034	0.9
151.02824	1.4
151.03938	2.7
151.07549	45.7
151.11127	2.4
152.06909	0.5
152.07977	0.7
154.02675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01872	1.4
55.05504	3.0
63.06341	1.0
65.03942	52.0
65.42180	1.0
67.05507	5.3
69.07068	3.0
71.29036	1.4
73.01143	44.4
75.00748	1.1
79.05499	13.9
81.07050	13.8
83.08624	1.4
83.26200	1.0
85.01131	1.0
87.02699	1.6
89.02268	1.9
91.05466	5.1
91.51995	1.0
93.03403	11.0
93.07051	16.7
95.08587	3.6
95.09172	1.0
98.03676	3.4
103.05449	1.2
105.07001	1.9
106.97858	2.3
106.99887	2.3
107.08605	10.0
111.04436	9.8
121.02869	53.3
121.03980	13.7
121.10135	3.8
149.02353	100.0
149.09659	3.3
149.13281	8.8
150.02711	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	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
53.95559	0.8
55.01865	1.9
55.05500	1.1
60.28072	0.9
65.03947	51.3
67.05481	0.8
69.07059	0.9
69.83686	3.7
73.01149	54.3
73.25970	0.9
78.96797	1.1
79.05484	1.3
80.83095	0.7
81.07027	0.9
83.50011	0.7
89.03883	0.9
91.05434	1.2
93.03412	10.6
93.07040	2.1
98.03678	2.7
98.21479	0.9
100.07654	1.3
103.05500	0.9
105.07024	1.5
106.99882	5.5
107.08585	0.9
111.04466	9.7
121.02875	58.4
121.03979	17.8
133.34903	0.8
148.95555	1.7
149.02356	100.0
149.09608	2.3
150.02698	2.4
153.09286	0.8
167.03482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01871	1.2
55.05515	1.3
65.03948	52.6
66.04272	0.8
69.26961	2.1
69.27369	6.3
73.01151	24.2
79.05493	1.6
81.07073	0.9
85.97089	0.7
88.48357	0.7
89.18781	0.7
91.05475	1.7
93.03413	12.0
98.03672	3.0
100.07634	1.3
106.99860	2.6
111.04456	9.4
121.02876	56.4
121.03978	15.1
122.03186	1.1
148.95477	2.5
149.02357	100.0
150.02692	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02379	0.9
53.03958	4.4
55.01859	2.7
56.96561	2.9
60.99162	2.8
65.03948	40.5
67.05495	1.7
70.09064	3.9
77.03927	1.3
79.05502	49.4
81.38307	0.9
88.98640	1.7
89.03963	0.9
91.05488	14.5
93.03371	8.4
93.07054	38.3
94.06551	1.5
95.04977	5.3
98.03676	3.0
100.16821	0.8
103.05479	100.0
104.05811	2.1
105.04513	2.0
105.06998	1.9
107.04965	25.9
111.04486	7.0
121.02876	44.8
121.03976	9.9
121.06518	16.8
131.04950	5.2
133.05031	1.2
149.02364	81.0
149.06010	7.6
149.08212	0.8
149.09625	1.4
150.02692	3.7
150.07762	1.7
167.10323	0.9
169.03531	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	147.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99590	100.0
59.65007	1.3
69.45631	1.2
70.46746	3.4
84.08170	2.2
86.99060	76.5
91.05486	1.7
104.70157	1.6
105.00103	17.9
106.70397	1.4
119.04965	1.5
139.72992	1.4
147.04713	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	147.0766
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
55.05498	0.4
56.04824	0.4
56.05042	5.0
56.96568	2.5
57.03421	0.4
58.33173	0.4
60.08159	1.0
60.08489	0.4
61.08489	0.8
62.08818	0.4
62.97604	0.4
69.03439	0.6
69.86694	2.1
70.06587	1.7
72.08154	1.0
73.02911	0.6
73.08459	0.7
74.02457	0.4
84.01570	0.9
84.04508	100.0
84.08147	40.5
85.02901	2.4
85.04838	0.8
85.06553	0.9
85.08475	0.6
85.92162	0.5
87.04455	2.4
88.04820	2.3
91.05489	2.8
93.02109	0.7
96.59360	0.4
98.20838	0.8
98.97598	0.8
101.01719	2.1
101.07176	2.4
102.05537	5.7
112.99126	0.5
113.11600	0.4
119.01923	0.7
119.04951	3.4
130.05008	24.1
130.08655	4.2
131.00215	0.5
133.01591	0.4
133.03528	0.5
143.79462	0.4
146.60213	0.4
147.04448	1.0
147.07689	1.0
147.12157	1.0
149.01260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03950	2.3
53.49302	1.2
55.05508	11.3
55.16151	1.1
59.50912	1.1
61.75237	1.1
65.03930	5.1
67.05508	2.9
68.23040	1.5
69.07055	4.5
70.90267	2.4
79.05489	7.0
81.07044	2.2
81.85222	1.2
84.04504	3.8
91.05482	65.3
92.05814	2.0
93.07063	3.6
95.04976	1.5
103.05444	4.1
105.07032	93.3
106.07352	1.3
107.08614	4.7
116.06217	1.4
117.07007	10.9
119.04950	31.0
119.08583	100.0
120.08907	2.1
123.96457	2.9
132.09348	5.3
135.58725	1.1
145.10121	8.5
147.04414	12.0
147.08063	5.1
147.11697	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.31949	0.5
53.03950	0.9
55.05521	0.7
58.99591	2.4
61.01154	8.0
64.92792	0.6
65.03943	11.6
67.05514	1.0
69.07087	0.8
71.07100	1.1
73.01150	2.8
74.70982	0.4
79.05508	1.2
84.04508	1.7
86.61921	0.5
87.02696	1.7
91.05486	100.0
92.05826	1.8
101.04263	0.8
103.05468	0.5
104.98329	8.6
105.07034	5.4
112.03451	0.8
113.04245	1.3
114.03030	0.6
114.05019	0.6
117.07008	0.8
119.04948	97.5
119.08588	7.4
120.05309	2.3
123.96458	0.8
146.25244	0.6
146.41103	0.6
147.04417	39.0
147.08054	1.2
147.11687	3.8
148.04865	0.7
151.94807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.7
58.99586	19.2
59.96724	2.0
61.01156	88.3
62.01475	1.7
62.37172	1.5
65.03928	4.1
66.31667	1.5
67.05494	7.0
69.07069	7.8
69.25424	1.3
69.68957	2.9
69.69364	6.7
70.99564	6.1
73.00786	1.9
73.01147	27.9
78.96769	2.1
79.05492	9.4
81.07067	3.9
82.07825	3.5
83.08631	10.8
85.01115	5.9
87.02703	13.4
91.05494	21.7
96.78035	1.4
99.02679	5.4
101.04227	5.7
104.98322	100.0
105.07049	3.5
111.16540	1.6
113.04240	14.9
114.05013	6.8
119.04954	21.1
119.08577	6.7
147.03064	7.5
147.04416	6.8
147.11713	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	147.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69355	1.3
53.03938	1.9
54.57726	1.3
55.05516	9.7
58.11872	1.5
58.99594	18.6
59.96731	2.4
61.01156	90.7
64.92826	1.5
65.03920	2.2
67.05505	10.9
69.06737	2.0
69.07063	9.4
69.59883	4.4
69.60310	5.2
70.99590	7.9
72.00365	2.7
73.01147	28.6
78.96797	2.0
79.05490	12.3
81.07063	4.5
82.07831	4.0
83.08614	11.0
85.01130	6.6
87.02698	17.4
91.05493	19.1
92.98331	1.7
95.04942	2.1
99.02672	6.5
101.04266	5.3
102.96754	1.6
104.98327	100.0
105.07030	3.2
113.04237	17.5
114.03044	2.9
114.05015	5.6
119.04945	16.8
119.08571	4.6
145.13364	1.4
147.00989	3.9
147.02991	7.9
147.04282	8.5
147.11671	2.8
169.40575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.05512	18.6
58.99597	20.4
59.96738	2.3
61.01155	41.0
64.92814	2.1
67.05512	21.3
69.07071	19.4
69.91434	11.2
70.99589	5.5
72.00373	2.7
73.01154	20.0
78.96764	4.5
79.05500	25.8
80.06277	2.9
81.07046	8.4
82.07848	11.0
83.08624	22.6
85.01130	14.0
87.02700	39.4
91.05474	3.3
98.21535	2.0
99.02682	11.8
101.04250	10.8
102.96707	2.6
104.98325	100.0
113.04233	35.8
114.05022	18.8
118.99816	2.8
119.04948	3.6
147.02951	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	147.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.05523	13.1
57.07042	2.1
58.99591	16.9
60.99164	1.5
61.01159	20.6
62.99085	2.5
64.92798	4.8
65.03947	8.4
67.05510	16.7
69.07058	6.2
70.99589	2.7
71.22293	2.7
71.61208	1.9
72.43153	1.4
73.01147	92.8
78.96768	7.9
79.05496	43.4
81.07066	23.2
82.07829	2.5
83.08624	10.2
84.62516	1.5
85.01128	24.2
87.02700	20.2
91.04968	2.1
91.05491	30.0
93.07018	2.3
95.04967	3.8
99.02695	10.6
100.74634	2.0
101.04258	22.7
102.21172	1.5
104.98324	100.0
105.07055	7.2
112.03432	6.6
113.04234	38.2
114.03042	6.5
114.05047	2.9
118.29760	1.6
119.04961	24.8
119.06874	2.3
119.08601	8.9
123.96476	7.8
133.50075	1.5
147.00995	5.3
147.02972	41.8
147.04391	9.7
147.08037	1.8
147.11691	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	147.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.05518	12.8
55.62662	1.7
58.99598	21.6
59.96748	2.3
61.01158	79.8
65.03958	1.9
67.05516	15.5
69.07079	15.6
70.63892	2.4
70.64244	3.5
70.99586	7.6
71.32352	1.9
72.00349	2.7
73.01149	29.7
78.96787	1.6
79.05504	20.2
81.07052	5.3
82.07844	8.8
83.08626	15.6
85.01140	11.9
87.02695	27.5
88.37065	1.7
91.05487	15.5
95.05003	2.4
99.02710	9.5
101.04266	9.6
104.98325	100.0
105.07027	5.4
112.03465	2.3
113.04247	28.0
114.03060	2.5
114.05023	11.0
118.99948	2.5
119.04939	12.4
119.08582	5.5
123.96466	1.9
133.62059	1.5
147.01038	3.7
147.02989	12.1
147.04413	4.3
147.11658	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	147.0297
Annotation	Diallyl disulfide
Peak:m/z	Relative Intensity
53.03941	3.2
55.05522	11.6
58.99585	18.7
61.01152	14.1
64.92796	3.5
65.03927	2.6
67.05514	15.0
69.07051	6.9
69.41305	5.3
69.41718	15.0
70.99551	2.5
73.01144	86.0
74.09969	2.3
78.96772	8.6
79.05495	42.6
81.07062	18.0
82.07835	2.9
83.08614	9.8
85.01133	30.2
87.02690	19.6
90.43239	1.9
91.05486	28.5
97.01073	2.9
99.00687	4.6
99.02660	5.0
101.04253	22.6
104.98319	100.0
105.07021	7.1
111.02673	7.1
112.03445	18.2
113.02235	6.4
113.03514	3.5
113.04231	42.3
114.03062	13.8
114.05009	6.5
119.04960	18.2
119.08562	6.6
123.96449	4.0
137.86554	2.0
147.01021	12.1
147.02969	37.5
147.04369	7.3
147.05461	3.1
147.08006	3.3
147.11661	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	147.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12130	2.2
55.05514	25.1
58.16684	2.6
58.99589	32.2
59.86643	2.5
61.01157	49.8
65.03938	4.1
67.05508	26.5
69.07076	25.4
70.76543	3.6
70.76897	6.2
70.99583	5.8
73.01145	29.9
78.96777	5.5
79.05491	28.9
81.07045	12.4
82.07858	14.3
83.08205	3.9
83.08630	37.4
83.17300	2.9
85.01120	19.5
87.02219	4.2
87.02701	46.4
91.05482	10.4
99.02680	16.5
101.04270	18.3
104.98323	100.0
112.03456	3.1
113.04240	53.1
114.03006	5.8
114.05022	22.6
118.99885	3.4
119.04917	7.1
119.08580	4.3
123.96429	3.3
138.08397	2.7
147.00986	4.7
147.02962	25.7
147.04111	4.2
163.70479	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05515	8.0
58.99329	1.6
58.99591	20.1
59.96732	1.8
61.01154	84.4
65.03927	2.8
65.30437	1.4
67.05500	7.9
69.07075	9.3
69.65742	2.3
69.66148	5.5
70.98323	1.2
70.99578	7.0
72.00360	3.2
73.01140	28.8
79.05502	12.1
81.07068	3.6
82.07833	2.6
83.08615	10.7
85.01113	6.4
87.02696	17.0
91.05488	8.9
95.04991	1.8
97.64210	1.5
99.02671	4.2
101.04256	5.0
104.98322	100.0
105.07008	2.3
113.04235	11.8
114.05029	5.0
114.39313	1.3
119.04967	8.1
119.08562	3.7
130.07355	1.3
147.02998	6.5
147.04433	3.0
147.11711	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	147.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	8.8
58.99591	19.2
59.96738	2.2
61.01155	100.0
65.03933	2.3
67.05508	9.5
69.07066	8.8
70.68272	3.9
70.99570	8.6
72.00368	5.3
73.00777	3.3
73.01145	34.5
73.58558	1.8
79.05493	11.8
81.07041	5.6
82.07834	6.1
83.08634	12.4
84.04501	2.8
85.01124	6.4
87.02711	15.8
90.15298	1.9
91.05484	24.3
99.02683	6.9
101.04241	5.5
104.98323	98.2
105.07050	4.1
113.04239	16.3
114.05008	8.7
119.04945	20.1
119.08580	7.8
147.02972	7.0
147.04437	6.1
147.08086	2.3
147.11674	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	147.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
53.32231	3.2
55.05519	24.2
58.99595	29.2
60.65728	3.3
61.01157	35.3
67.05501	32.3
69.07068	33.4
69.97554	11.7
70.99564	8.0
71.91610	3.4
72.00346	4.8
73.01140	28.0
74.99357	3.1
79.05504	33.9
81.07055	10.7
82.07824	15.6
83.08625	42.9
85.01135	34.3
87.02699	59.1
91.05480	15.2
99.02686	20.2
101.04244	16.8
104.98316	100.0
111.02693	5.4
112.03500	4.4
113.04241	50.9
113.80844	3.7
114.03006	7.4
114.05023	27.7
119.04946	10.3
123.96416	5.8
147.00993	9.1
147.02979	35.6
147.04100	5.1
147.04475	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	147.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.05522	11.1
58.99594	19.5
61.01155	86.0
65.03934	5.1
67.05508	9.5
67.45177	1.6
69.07072	8.8
69.40577	12.5
70.99583	6.7
72.00362	2.8
73.01149	29.3
78.96785	1.9
79.05488	12.5
81.07062	4.2
82.07839	3.8
83.08625	12.6
84.04544	2.6
84.08167	2.0
85.01125	5.4
87.02704	15.8
91.05486	52.4
99.02690	5.9
101.04245	6.7
102.96732	1.9
103.05470	1.6
104.98320	100.0
105.07035	24.7
107.08652	2.6
113.04234	16.2
114.05012	6.0
117.07040	4.5
119.04948	41.4
119.08591	35.5
123.96434	2.5
129.07001	2.2
130.04994	1.5
132.05687	1.7
132.09348	2.5
145.10187	2.0
147.02971	6.0
147.04419	18.1
147.08067	4.7
147.11685	19.0
161.53644	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
57.22292	0.7
58.06601	1.9
70.79356	1.6
72.08163	29.1
75.09274	0.7
77.80183	0.7
84.08168	4.3
86.37070	0.6
87.04472	0.9
89.81223	0.8
91.05490	30.8
92.05811	0.7
100.04779	1.1
112.11259	5.9
117.05780	5.2
118.06558	100.0
119.04956	4.7
119.06886	2.1
126.02907	0.7
128.05000	3.4
129.13945	1.1
146.06024	17.4
147.04419	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1177
Annotation	Acetylcholine
Peak:m/z	Relative Intensity
56.05031	0.9
58.06603	2.5
60.08168	45.0
61.08504	0.5
64.73294	0.5
69.03448	0.8
69.37389	4.5
70.06589	0.8
70.07804	0.5
72.08157	10.9
74.06087	0.8
82.06583	1.7
84.04503	5.1
84.08154	7.4
86.06068	2.5
87.04475	100.0
88.04803	1.2
92.20032	0.5
100.07630	4.9
101.01669	0.5
112.11242	1.8
128.07086	0.8
130.05034	1.2
130.08565	0.6
136.97519	0.5
146.08115	1.2
146.09259	1.0
146.11769	32.4
147.12192	0.6
161.04123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65138	1.5
55.05514	9.7
58.99592	21.5
59.96741	1.9
61.01158	92.0
65.03945	2.4
67.05517	11.2
69.07076	11.1
70.99584	7.5
71.08115	3.1
72.00358	2.0
73.01147	32.5
79.05508	13.2
81.07053	4.1
82.07861	4.7
83.02627	1.5
83.08626	9.8
85.01132	7.1
87.02711	14.6
91.05494	19.7
92.93852	1.6
98.01818	1.7
99.02680	6.4
101.04250	6.5
104.98326	100.0
105.07008	3.1
112.03457	3.0
113.04253	17.0
114.02995	2.6
114.05029	6.3
115.69421	1.6
117.98586	1.7
119.04967	15.7
119.08602	4.6
121.86688	1.8
147.01051	3.7
147.03001	6.3
147.04417	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	145.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01625	1.4
55.01876	13.6
55.05505	1.5
56.96563	3.7
57.03436	1.8
58.03773	1.2
58.06593	4.0
58.99581	1.7
59.73607	1.1
59.96740	6.0
63.43764	1.0
65.03947	5.8
67.05499	2.4
69.03440	2.6
69.94792	4.3
71.05004	8.2
71.55945	1.2
72.08165	7.4
73.01148	100.0
73.02918	1.7
73.75452	1.1
75.02695	3.4
81.03402	3.2
84.08173	1.7
85.01132	1.4
85.02904	2.2
98.21385	2.0
98.97551	1.3
99.02684	11.9
99.04459	15.1
103.02167	4.2
106.08518	1.0
110.80585	1.2
112.11265	1.9
121.01683	2.0
121.96679	1.4
127.03963	3.6
135.39935	1.2
145.03174	1.8
145.05006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0142
Annotation	2-Vinyl-4H-1,3-dithiin
Peak:m/z	Relative Intensity
53.03959	1.9
55.01875	1.0
57.03443	0.6
58.99589	4.2
60.80949	0.4
62.92979	0.5
67.05503	1.4
69.03438	0.7
69.07070	2.5
69.47348	0.9
69.47760	2.0
71.05006	4.1
73.01123	0.6
76.89986	0.4
79.05514	2.1
80.06284	1.1
81.03418	1.3
82.10394	0.4
85.02900	0.9
89.07916	0.5
91.05505	0.5
97.01124	21.4
98.21462	0.7
98.22836	0.4
99.02686	1.5
99.04469	11.6
101.02306	0.5
105.07049	0.8
111.02677	36.9
112.03458	100.0
113.03781	1.4
117.07040	1.0
118.06539	0.4
121.96671	1.6
127.03941	1.7
129.99075	2.2
130.07793	0.4
145.01427	37.4
145.10141	0.7
145.14197	0.7
158.78902	0.4
163.80539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0142
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.03948	3.9
55.01871	1.9
57.03436	0.8
58.99590	12.8
60.65546	0.6
61.01161	0.7
62.92994	2.7
65.03960	0.7
67.05508	2.6
70.99559	0.9
71.04993	7.7
71.25236	0.8
73.64047	0.6
78.56499	0.6
79.05497	4.9
80.06278	4.6
81.03427	2.9
81.07071	2.7
84.28135	0.7
85.01158	1.3
85.02908	1.9
87.02691	0.7
91.05486	1.0
97.01127	25.7
97.02895	0.6
99.02694	2.2
99.04460	20.4
105.07032	1.6
111.02677	37.9
112.03459	100.0
113.03721	1.0
116.98306	4.4
121.96636	3.4
127.03951	3.4
129.99080	18.9
130.07799	1.0
145.01425	69.0
145.10185	1.0
146.01823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0141
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.03940	3.2
55.01880	2.6
57.03427	1.2
57.80289	0.6
58.99593	5.6
62.92989	1.7
64.10691	0.5
67.05514	1.4
69.03436	1.0
69.77190	2.8
71.01340	0.7
71.04992	11.2
73.84455	0.7
79.05495	3.5
80.06273	2.6
81.03423	2.6
81.07056	1.5
82.93154	0.6
85.02915	2.6
97.01121	21.1
99.02688	1.1
99.04456	25.3
101.02319	0.9
101.04266	0.6
105.07035	0.8
107.46650	0.6
110.94029	0.5
111.02671	38.1
112.03456	100.0
113.03740	1.4
115.03919	0.7
116.98312	0.9
121.96662	3.8
127.03950	3.0
129.99074	9.3
135.72887	0.7
145.01414	43.1
145.04953	0.9
146.01726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0141
Annotation	2-Vinyl-4H-1,3-dithiin
Peak:m/z	Relative Intensity
53.03951	3.0
55.01877	1.9
57.03443	1.0
58.99583	2.7
59.05008	0.5
61.01139	0.5
62.92993	0.6
67.05503	0.9
69.03434	1.0
69.07064	2.1
69.37028	2.6
71.01374	0.4
71.04991	6.4
71.05364	0.5
73.01144	1.2
73.06554	0.7
77.00601	0.3
79.05496	5.2
80.06287	1.0
81.03411	2.1
81.07059	0.6
84.99307	0.3
85.01142	0.8
85.02902	2.2
85.98895	0.3
89.03879	0.4
91.05476	0.8
95.05005	0.3
97.01120	20.8
97.02849	0.5
99.02682	0.9
99.04456	17.6
101.02393	0.9
105.07043	2.5
108.38033	0.3
111.02669	35.9
112.03452	100.0
113.04257	17.5
116.07013	0.3
116.98312	0.4
117.03391	0.5
117.07038	1.2
118.06580	0.5
121.96619	1.6
127.03913	2.7
129.07021	0.6
129.99069	1.9
130.07806	2.1
143.08553	0.4
145.01411	35.1
145.04987	0.8
145.06813	4.9
145.10123	3.6
146.01669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
56.05037	0.5
56.96333	0.5
56.96573	6.5
57.03436	1.7
58.06593	0.5
58.99870	2.8
59.06450	0.4
60.95857	0.6
61.02925	1.3
68.05013	0.5
69.03432	3.4
69.39214	3.2
70.06590	1.9
70.98131	1.0
70.99860	4.5
72.08157	0.7
73.02909	0.8
77.00914	3.0
80.05006	0.5
81.04551	3.9
81.05781	0.5
82.99860	1.6
84.04481	0.6
84.08150	1.8
84.92841	0.4
85.02912	2.1
87.04455	0.5
88.02728	0.5
89.00926	2.6
95.01939	0.9
95.06085	1.6
97.02892	3.6
97.07645	1.8
97.08486	0.6
98.06061	1.8
98.09705	0.8
98.97594	3.1
99.53481	0.7
100.02509	1.0
101.00890	31.5
102.00961	1.1
102.02400	0.4
102.96876	0.9
103.02450	0.8
110.01408	0.7
113.53257	0.5
115.02438	0.9
116.98643	2.0
119.01929	100.0
120.02031	3.9
120.97939	0.9
124.02469	0.8
125.02365	3.4
125.07135	1.6
128.98674	0.5
131.01944	1.2
133.03481	1.8
134.99634	0.7
137.02971	18.6
138.03056	0.7
138.98985	0.5
142.03500	3.3
142.96501	0.5
143.01932	3.2
143.03421	20.7
143.08203	1.2
144.06668	0.4
144.10220	3.8
146.99615	0.5
160.04620	0.6
160.97600	0.7
161.02995	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	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01873	0.9
55.05523	3.6
58.99598	3.1
59.96733	3.7
65.03944	14.2
66.04723	1.5
66.06044	0.7
67.05515	9.0
69.03432	5.6
70.99569	0.7
71.16963	1.6
74.06139	0.6
84.00354	1.6
85.01140	0.8
87.02655	0.7
89.19128	0.8
94.49572	0.6
97.01144	5.9
97.02897	4.5
99.02688	100.0
100.03034	1.2
101.95013	3.2
109.01119	2.6
110.01904	7.3
111.02704	5.0
119.96068	1.5
125.02372	4.1
126.60980	0.7
127.97514	1.5
128.06207	1.6
137.97139	1.2
139.01788	0.8
142.99860	70.0
143.03410	53.4
143.08653	0.8
144.00420	1.0
144.04762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	11.1
69.48007	24.6
91.70663	3.8
96.08124	5.1
100.97180	8.0
100.97984	4.7
101.00900	30.9
102.86454	3.3
110.20837	3.7
118.98228	5.2
119.01932	100.0
134.26338	3.6
137.02946	19.5
142.03485	15.1
142.08595	4.6
153.67647	3.6
159.56239	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	142.0865
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
53.00313	1.2
53.70915	0.8
55.01875	2.9
55.05519	4.7
57.03437	1.2
58.06604	5.7
59.93117	5.4
67.05485	1.3
68.05035	2.7
68.93559	0.9
69.03437	12.2
69.07076	14.8
70.06586	1.6
71.05013	1.3
71.08639	59.7
71.54627	1.5
72.04504	1.4
72.08150	2.2
75.51445	1.0
79.05498	5.9
80.05010	1.8
81.05815	2.0
81.07063	2.1
82.06587	1.7
84.08118	1.1
86.09703	1.3
95.06178	1.0
96.04522	1.7
96.08143	17.0
97.02908	9.1
97.06549	7.7
100.07681	1.2
104.10961	0.9
109.17762	0.8
114.05539	1.2
114.09176	30.3
115.05404	0.9
118.96777	7.4
119.01880	2.2
124.07594	3.8
125.02361	13.1
125.06010	3.4
128.06195	1.6
142.03308	1.6
142.04985	3.3
142.07613	1.2
142.08653	21.3
143.03409	100.0
143.08917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	22.4
59.25203	0.6
64.86808	0.5
70.15160	1.5
70.15552	0.9
71.95267	5.3
73.17649	0.6
85.15078	0.5
98.97590	100.0
116.98629	61.8
134.99667	21.1
140.00232	1.0
150.97406	0.6
153.00732	1.9
158.01273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
56.05037	1.6
56.96573	10.8
57.23895	1.9
57.93571	9.6
65.03938	5.2
67.05513	58.8
67.93571	2.8
68.05016	1.8
69.03085	2.7
69.03437	52.0
69.07078	66.0
70.07782	3.8
70.08166	3.4
71.95267	3.1
84.08152	10.8
94.06596	16.7
95.01337	1.9
95.04981	45.7
97.02907	2.7
97.05277	1.9
98.21488	2.1
98.97599	47.2
99.05608	2.2
103.63885	2.2
112.07621	100.0
113.02353	1.7
113.06022	15.8
116.97280	17.9
116.98635	40.3
122.06075	9.0
123.04462	4.0
125.02370	5.0
134.99658	18.1
140.03452	5.3
140.07088	18.8
141.01790	1.8
153.00755	2.8
155.73123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.6
56.96572	21.7
57.03428	7.0
58.99863	2.7
65.27225	1.6
68.05024	3.8
69.03427	6.9
70.06593	2.3
70.33833	5.9
70.99847	3.4
71.04981	2.4
73.02912	7.5
77.51031	1.7
79.08597	1.6
81.04546	3.7
82.06581	2.3
83.00803	3.2
84.96035	1.9
85.02899	2.8
86.06030	1.5
89.00863	2.6
96.01556	2.0
96.08135	31.0
97.02909	2.9
98.97005	2.5
98.97594	22.3
100.02483	2.3
100.97188	2.3
100.98057	1.9
101.00879	28.9
110.01266	6.0
110.97594	2.1
114.09180	1.9
116.98630	9.5
119.01926	100.0
128.02338	2.5
128.98598	3.8
134.99641	3.1
136.99216	1.9
137.02982	18.5
140.00256	2.3
142.03490	8.4
142.04996	1.7
142.08650	14.2
143.02007	2.3
143.03412	15.5
146.99664	2.3
149.01175	3.2
158.01231	2.5
160.04543	2.0
160.82919	1.8
161.02939	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02072	4.9
70.77892	11.7
70.78246	8.4
84.71585	5.4
100.97208	7.2
101.00892	31.2
117.72311	5.1
119.01926	100.0
137.02975	20.3
142.03540	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.0
57.93554	1.1
59.02114	0.9
59.05009	7.5
61.14988	1.2
63.94443	5.5
65.03935	1.6
68.63756	1.1
69.03430	2.1
70.44787	2.9
73.01138	8.6
78.96783	100.0
96.62345	1.0
98.28230	1.2
98.97591	3.3
98.98467	5.6
111.02663	1.5
111.04443	1.6
116.97212	3.3
116.98628	2.3
139.02420	1.0
139.03964	1.1
139.05807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25080	0.6
54.75441	0.5
55.01871	0.7
55.05515	1.0
56.96561	3.2
57.93571	1.7
59.05008	6.3
63.94444	4.1
64.34192	0.5
65.03940	1.8
67.05486	0.7
69.03429	1.2
69.89095	2.9
73.01144	8.6
75.00738	0.8
78.96783	100.0
80.98358	1.2
83.04974	2.2
84.16218	0.6
91.02202	0.6
91.05508	0.7
93.07034	1.1
94.57852	0.7
95.08631	0.5
98.97590	3.7
98.98478	6.3
100.19398	0.6
100.89204	0.6
111.02711	0.7
111.04447	3.0
114.03185	0.5
116.97221	2.7
116.98613	2.7
134.85341	0.6
134.99675	1.8
139.02486	1.5
139.03964	0.9
139.05882	1.2
139.07520	0.6
139.11226	1.2
139.98840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20851	0.8
59.05003	7.4
61.01142	1.4
63.94445	4.1
68.88640	0.8
68.96828	0.7
69.03432	1.1
69.07070	0.8
69.08463	0.8
69.88326	4.0
70.66990	0.7
73.01151	10.4
74.01935	1.1
75.00734	1.9
75.09215	0.7
77.80909	0.7
78.96781	100.0
80.98359	0.9
81.72940	0.8
87.09431	0.8
89.00633	0.9
89.11836	0.7
90.01402	1.2
91.00186	0.7
91.05515	1.1
92.00982	1.5
93.07072	1.7
97.06570	1.0
98.21436	1.5
98.98480	0.8
108.41381	0.7
121.10155	1.0
139.02370	1.6
139.11163	1.1
151.60202	0.7
158.32478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95432	0.8
52.09517	0.9
53.00298	0.8
56.05133	0.7
56.75140	0.8
59.05002	1.1
59.96715	1.1
62.99082	32.8
63.94438	1.4
63.99864	16.8
65.00638	2.5
70.81344	1.1
70.81693	1.9
75.02711	34.7
78.96784	48.5
84.00010	0.8
90.24187	0.8
96.97821	100.0
108.51346	0.8
125.05727	1.0
133.86261	1.1
135.02618	0.7
139.02469	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19386	0.7
56.96292	1.6
56.96572	26.7
71.37165	1.2
71.37505	0.8
71.95264	6.8
74.59843	0.7
81.51418	0.9
98.97594	100.0
109.23605	0.7
116.98635	64.2
134.99667	23.3
140.00240	1.3
140.03528	0.8
152.36171	0.8
153.00792	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63324	0.6
56.96296	1.3
56.96571	25.1
71.46278	1.5
71.95274	6.6
75.34048	0.7
98.97591	100.0
116.98627	60.3
116.99850	1.0
131.00198	0.8
134.99673	22.9
140.00232	1.5
150.45154	0.6
153.00732	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94851	1.2
56.05033	2.9
56.96571	44.1
57.93571	39.3
58.72517	1.2
67.05512	3.2
67.93576	7.2
68.05023	1.7
70.06581	1.3
71.29816	2.2
71.95271	9.3
75.94606	1.7
79.05482	1.7
79.60578	1.6
84.04518	1.8
93.16875	1.2
94.06576	7.9
95.04974	2.5
98.06046	1.7
98.07113	1.2
98.97591	99.8
99.05587	2.1
112.03986	6.5
112.04682	1.6
112.07604	3.1
113.02393	4.6
116.96381	2.6
116.97256	75.0
116.98617	100.0
122.06016	4.4
123.05477	3.1
125.02398	2.7
134.99669	76.7
139.98798	2.4
140.00229	3.9
140.03462	7.4
140.07051	6.7
140.08176	3.7
140.10722	2.1
140.95131	5.5
141.01839	4.8
146.97388	1.5
148.96199	10.8
153.00745	13.0
158.01282	3.4
158.65836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52774	1.0
53.03945	1.4
55.01870	2.1
55.05509	2.7
56.96571	21.5
57.03435	2.5
57.93575	7.6
58.99583	4.0
59.05011	1.4
59.96743	1.8
61.01155	2.9
62.99082	27.8
63.99857	17.0
65.00635	2.8
65.03940	5.6
67.05527	2.8
69.03439	5.8
69.07070	2.4
70.99591	1.1
71.54839	1.7
73.01148	9.6
74.01944	1.6
75.00720	4.4
75.02708	34.5
78.96783	54.7
79.05494	3.0
83.04988	4.5
87.39655	1.0
89.04632	1.2
91.05490	3.4
93.03416	1.7
93.04542	2.0
93.07042	4.8
95.04969	2.8
95.08612	5.3
95.78114	1.1
96.92419	4.1
96.97822	100.0
97.01125	3.1
97.02919	1.5
97.06536	3.1
97.22109	1.1
98.97596	12.8
98.98475	26.5
103.05500	1.4
103.97552	4.2
104.96293	1.0
105.07036	3.3
105.97115	5.4
106.83506	1.1
111.02669	7.3
111.04452	12.0
111.08138	1.2
112.03945	1.4
116.97253	12.6
116.98610	17.2
121.02870	2.7
121.04018	2.2
121.10148	3.5
124.03446	1.7
134.52763	1.0
134.99677	15.7
139.02446	3.4
139.04062	5.2
139.05791	21.8
139.07489	2.4
139.08653	1.5
139.11188	4.6
140.00240	1.7
140.03464	1.5
148.96181	2.7
153.00743	3.2
158.01321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.07394	0.2
53.03949	0.8
65.03935	0.9
67.05506	0.9
70.73018	0.6
78.03445	0.6
79.04241	0.3
92.05010	5.9
93.05798	0.7
94.06577	20.6
96.04496	2.8
110.06055	13.7
110.78288	0.2
115.02444	0.3
121.06510	1.3
121.49052	0.2
133.01767	0.3
133.03462	0.7
138.05516	100.0
139.05843	2.0
146.24835	0.3
154.04991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03951	4.1
54.24981	0.6
55.01871	1.8
55.05513	4.1
57.03425	0.6
58.99588	1.7
59.96726	1.0
61.01154	2.5
61.41196	0.6
63.99858	1.5
65.00617	0.8
65.03947	4.0
66.04726	6.3
66.39520	0.6
67.05511	40.0
68.05830	0.7
69.03436	3.4
69.07072	1.9
69.91601	3.1
70.99594	1.3
72.00361	1.9
73.01148	28.1
74.01521	1.2
74.01926	8.3
77.03935	1.6
79.05499	11.3
81.03416	2.2
81.07066	19.2
84.42796	0.6
84.48743	0.6
89.00625	1.1
90.01397	3.6
91.05486	22.4
92.05019	0.8
92.05840	0.8
93.03342	0.7
93.07050	9.8
94.04198	43.8
94.06568	0.8
94.07875	0.9
94.31303	0.6
95.04453	1.0
95.04984	8.7
95.08620	14.5
102.96735	2.0
103.05450	1.8
103.97525	5.5
104.06255	1.8
105.04549	0.8
107.04965	24.9
107.08591	2.6
108.09334	0.6
109.06521	7.2
109.10164	37.6
110.01511	0.7
110.06058	2.1
110.09724	0.7
110.10484	0.6
114.37444	0.5
117.07011	1.7
118.97785	0.6
119.04922	1.6
119.07790	1.3
119.08589	17.2
121.06519	8.2
122.03661	60.4
122.07295	100.0
123.04045	1.0
123.07636	1.4
135.04410	1.1
135.07213	0.6
135.08040	3.6
136.95444	1.1
137.02498	4.4
137.05991	93.1
137.09624	91.4
138.05495	4.0
138.06401	1.8
138.09079	1.1
138.09969	2.1
159.09686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03950	7.8
55.01874	15.1
55.05497	5.2
61.01140	4.8
65.03936	4.8
66.04719	6.7
67.05506	45.7
67.19539	1.3
69.03422	5.3
69.07062	3.1
70.73100	3.1
70.73440	1.4
73.01144	13.0
74.01916	3.7
75.02694	1.5
77.03913	1.7
79.05501	18.0
81.03408	4.9
81.07061	32.9
83.04964	1.4
85.00872	1.2
89.00616	4.6
90.01404	3.7
91.05489	30.1
91.73732	1.4
92.05819	3.2
93.07063	10.6
94.04196	48.5
94.07830	2.0
94.96272	1.3
95.04977	11.6
95.08617	19.1
95.65792	1.2
105.04482	1.5
107.04964	15.2
107.08587	3.5
108.05746	2.2
109.06525	32.9
109.09451	2.7
109.10163	33.9
110.06065	1.8
117.07040	2.5
119.04943	2.3
119.06086	1.7
119.08587	13.1
121.06490	7.6
122.03650	62.8
122.07298	50.0
135.08095	3.3
137.02480	4.3
137.05983	100.0
137.09619	67.0
138.05511	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03942	2.6
55.01891	1.1
55.05502	2.9
58.99578	2.4
59.96734	1.2
60.74572	0.8
61.01152	4.7
63.99859	2.2
65.03928	1.8
66.04717	1.6
67.05508	31.3
69.03419	1.6
69.07055	1.4
69.97816	4.0
70.99583	1.7
72.00358	2.1
73.01147	30.5
74.01599	0.8
74.01935	8.8
77.03915	0.9
78.96767	1.4
79.05488	7.3
81.03402	1.0
81.07062	13.4
89.00636	5.5
90.01395	2.0
91.05486	17.8
93.07058	7.0
94.04188	15.1
94.07832	1.9
95.04968	5.5
95.08612	9.8
96.04523	0.9
102.96751	3.3
103.05484	2.0
103.97541	7.7
104.26969	1.0
107.04961	21.6
107.08611	2.3
109.06516	4.3
109.10158	31.8
110.06051	1.3
117.07017	2.0
119.04905	1.4
119.08591	16.2
119.79905	0.8
121.06486	9.0
122.03665	19.8
122.07294	100.0
123.07660	1.9
135.08032	4.7
136.95537	1.4
137.02481	3.5
137.05989	31.3
137.09625	86.1
138.05508	2.9
138.09993	1.7
149.07181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03945	4.5
53.24568	0.8
55.01863	1.1
55.05506	2.9
61.01137	3.2
63.99838	1.2
65.03937	3.1
66.04733	4.6
67.05511	30.1
69.03432	1.9
69.07062	1.8
69.21487	9.1
69.52219	0.7
70.99606	1.0
73.01147	11.5
74.01921	4.3
76.82370	0.9
79.05499	15.5
81.03419	1.3
81.07063	17.2
89.00627	2.0
90.01398	2.8
91.04903	1.0
91.05486	18.9
93.03413	0.9
93.07049	6.5
94.04199	35.5
94.06517	1.1
94.07837	1.2
95.04984	5.2
95.08614	10.8
103.05446	1.4
103.97540	2.2
104.06242	1.6
105.04509	1.2
107.04963	27.5
107.08597	2.6
109.06536	5.6
109.10168	35.7
117.07008	2.9
119.04991	1.7
119.08584	16.2
121.06516	9.7
122.03659	44.3
122.07294	100.0
123.07609	1.5
135.04387	1.2
135.08043	4.4
137.02444	1.8
137.05984	65.5
137.09622	94.2
138.05460	2.3
138.06403	1.7
138.09970	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03930	1.2
58.84560	0.6
65.03935	1.3
66.04723	6.9
70.06961	1.6
70.07379	2.6
76.57692	0.7
77.03890	1.2
79.05492	4.0
81.07040	2.6
91.05480	3.2
94.04192	47.5
105.03447	0.9
107.04942	1.1
122.03655	66.2
123.04000	0.9
129.60211	0.8
130.13228	0.8
137.05984	100.0
138.06297	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05242	0.9
53.03944	4.1
55.01871	2.2
55.05518	4.8
57.07071	1.4
58.99591	2.1
59.96729	2.5
61.01144	3.0
62.99063	1.2
63.99851	6.0
65.00643	1.7
65.03940	4.8
65.45822	0.9
66.04728	5.1
67.05509	40.0
69.03423	2.9
69.07059	3.6
69.37547	3.7
69.37970	3.8
70.99576	2.6
72.00337	1.5
72.05753	1.1
73.01146	64.5
74.01491	1.7
74.01925	25.6
77.03937	1.9
79.05118	1.2
79.05501	11.4
81.03404	1.1
81.07058	22.9
89.00615	2.4
90.01395	4.4
91.05484	24.4
92.05035	1.2
93.07053	10.3
94.04189	40.4
94.06580	2.4
94.07847	1.9
95.04433	1.5
95.04972	9.1
95.08050	1.6
95.08614	21.4
98.21493	1.3
102.96735	2.2
103.05483	2.3
103.97547	7.5
104.06231	1.1
105.03433	1.0
107.04964	22.1
107.08588	1.4
109.06517	6.8
109.10159	39.0
110.06052	2.3
117.06986	2.0
119.04943	3.1
119.08587	15.5
121.02836	1.0
121.06522	9.6
122.03659	53.8
122.07289	100.0
123.03947	1.2
123.07677	1.2
135.04367	1.3
135.08072	4.2
137.02519	7.2
137.05983	84.6
137.09621	96.4
137.13225	2.4
138.05467	8.3
138.06306	1.3
138.10010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03952	6.7
54.62204	1.0
55.01865	3.6
55.05519	8.5
57.07080	1.6
58.99577	1.3
61.01157	9.0
63.99862	1.2
65.03933	4.2
66.04714	3.3
67.05511	72.9
69.03440	5.2
69.07073	4.0
70.53533	1.1
70.53851	1.9
70.99577	1.5
72.00353	1.7
73.01144	20.4
74.01526	1.0
74.01924	5.5
77.99667	0.9
79.05498	14.3
81.03436	5.8
81.07065	30.5
83.04987	3.6
86.44853	1.0
89.00616	2.9
90.01409	7.8
91.05487	34.8
92.05807	1.7
93.07049	13.8
93.61313	1.1
94.04198	27.1
94.07851	2.1
95.04979	21.7
95.08614	13.9
102.96783	1.2
103.05444	1.9
103.97536	4.3
104.06275	1.0
107.04963	25.3
107.08630	5.6
108.05748	2.0
108.29063	0.9
109.06528	49.0
109.10162	50.0
110.06066	1.4
110.06865	1.5
110.10526	1.6
117.07025	3.7
119.04945	1.8
119.06068	2.6
119.08593	18.3
121.06486	7.5
122.03666	27.6
122.07296	78.0
123.07657	1.1
135.08075	3.6
136.95485	1.2
137.02467	4.8
137.05988	44.6
137.09625	100.0
138.05522	4.4
152.31165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02381	0.9
53.03952	1.2
55.01872	1.2
55.96555	0.4
58.99598	2.2
61.01155	0.6
61.97028	0.4
62.77449	0.4
65.03936	2.3
65.75597	0.5
66.04731	6.9
67.05518	2.1
67.68037	0.4
70.04172	1.8
70.99595	1.6
72.00375	1.0
73.00731	0.9
73.01147	14.9
74.01922	1.6
76.22838	0.4
79.05502	4.4
81.03409	0.8
81.07064	4.6
87.19753	0.5
89.00620	0.5
90.01428	0.6
91.05489	6.3
93.07055	1.8
94.04195	49.1
95.04996	2.1
95.08618	1.7
98.21484	0.6
102.96769	2.1
103.97543	7.2
105.03408	1.0
105.04476	0.5
107.04960	2.0
109.06519	2.1
109.10155	0.8
110.06075	0.8
122.03660	68.1
123.03984	1.1
135.04427	0.9
136.95503	1.8
137.02567	2.8
137.05989	100.0
137.09593	1.3
138.05434	1.1
138.06363	2.0
138.09137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23484	1.5
58.99582	2.4
59.96731	3.7
61.01156	36.9
63.99857	12.4
67.05508	4.9
69.85226	8.3
70.99574	2.9
72.00363	9.6
73.01145	100.0
74.01929	41.9
75.02753	1.7
89.00076	1.8
89.00619	31.6
90.01404	80.7
94.04208	2.8
95.08626	3.6
98.21435	2.0
107.04964	2.0
109.10150	3.5
115.83692	1.5
122.03686	1.9
122.07293	3.7
137.00903	5.3
137.05986	6.9
137.09602	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	137.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99554	0.4
58.99586	1.0
59.19765	0.5
59.96729	3.1
61.01157	1.0
62.99075	0.8
63.99863	9.9
65.00639	1.0
66.04720	0.8
67.05508	1.7
68.30324	0.5
69.61389	0.9
69.61798	2.1
72.98052	0.5
73.01147	100.0
73.32235	0.5
74.01926	43.1
75.02710	0.6
79.05484	0.8
81.07063	0.9
83.00748	0.5
91.05484	1.8
94.04202	3.9
95.04946	0.8
95.08612	1.2
109.06537	1.2
109.10203	1.0
116.93336	0.5
122.03659	6.1
122.07318	1.6
137.00887	1.0
137.05977	8.9
137.09647	2.1
138.09355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06208	0.8
53.03960	4.4
55.01884	2.0
55.05503	1.6
57.03435	1.2
57.07063	1.6
58.04197	2.2
58.99591	1.5
61.01151	20.7
65.03931	4.4
66.04730	5.9
67.05510	20.6
69.03436	16.1
69.05155	1.1
69.07079	1.7
69.72349	5.4
70.06577	1.0
72.00359	1.3
73.01146	18.3
74.01915	4.5
75.02696	1.7
77.03925	1.1
78.96776	15.0
79.05494	9.8
81.03403	2.7
81.07059	18.1
89.00625	25.4
91.02181	1.8
91.05488	20.7
92.05000	1.9
92.05820	2.9
93.07056	9.5
94.04189	42.5
94.06561	1.7
94.96258	0.9
95.04491	1.2
95.04983	8.4
95.08611	12.6
96.04518	2.6
96.08889	0.9
102.96710	1.2
103.97524	3.2
105.03394	0.9
105.04489	1.2
107.04945	4.9
107.08585	1.5
109.02897	1.2
109.06532	11.1
109.10177	13.8
110.06046	2.5
111.24343	0.9
119.04956	3.9
119.08585	4.0
120.05275	1.5
121.02883	1.3
121.06535	1.0
122.03654	58.4
122.07292	12.5
137.02505	8.9
137.05986	100.0
137.09612	21.3
137.13234	1.2
138.01837	1.0
138.05499	11.0
138.09142	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	137.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
55.05509	3.4
58.04211	2.8
59.96727	4.2
61.01156	100.0
63.99860	4.3
65.03954	3.2
66.04717	3.4
67.05504	18.8
69.03451	2.9
69.92540	2.2
70.99567	2.7
72.00365	10.0
72.23196	1.8
73.01146	68.1
74.01906	15.3
75.02702	3.9
78.96799	22.5
79.05490	8.0
81.03465	2.2
81.07059	14.7
83.85492	2.1
89.00626	79.2
89.67403	1.9
90.01404	80.8
90.62087	2.1
91.05481	15.0
93.07072	2.2
94.04193	26.2
95.04991	4.1
95.08620	14.6
97.46973	2.5
103.97502	2.5
107.05006	5.1
108.07697	2.2
109.06519	7.4
109.10162	13.2
110.11582	2.1
116.42767	2.0
119.08655	2.3
121.06541	2.7
122.03661	35.0
122.07307	16.5
137.00858	2.2
137.02434	3.8
137.05972	53.8
137.06934	3.8
137.09619	18.9
138.05502	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	136.955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01877	1.2
55.05514	0.8
56.96564	0.8
58.99590	16.5
59.96725	2.6
61.01149	2.8
63.99857	2.5
65.03945	1.2
66.04717	0.6
67.05505	4.4
67.38766	0.6
70.57454	1.9
70.59899	0.7
70.99583	10.8
72.00366	9.7
73.01147	100.0
74.01522	0.6
74.01926	12.0
79.05508	2.0
81.03415	1.1
81.07059	5.3
89.00627	1.7
90.01395	3.8
91.05479	6.4
92.05809	0.7
93.07043	3.7
94.04199	4.0
95.04979	3.1
95.08602	3.5
100.31892	0.7
102.96075	1.4
102.96754	17.9
102.97402	1.1
103.97541	57.0
107.04978	1.3
109.06556	2.7
109.10171	3.1
110.06062	1.0
118.97913	1.0
119.04964	0.9
120.04483	0.6
122.03690	4.1
122.07314	3.4
136.95502	8.3
137.00949	0.9
137.02547	6.2
137.05974	9.8
137.06949	1.0
137.09621	6.0
138.05542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01878	1.7
55.05508	2.2
56.55132	1.0
56.96563	2.2
57.07055	1.3
58.43546	1.1
58.99591	12.0
59.96739	5.3
61.01157	58.3
63.99846	1.8
65.00641	1.8
65.03937	2.2
66.04729	2.6
67.05511	10.0
69.03410	1.1
70.13584	2.2
70.13977	2.9
70.99592	8.8
72.00359	15.1
72.03590	1.2
73.01147	100.0
74.01929	7.4
78.96765	4.4
79.05494	5.7
81.03415	2.1
81.07060	14.6
89.00068	1.7
89.00626	34.9
90.01406	76.4
91.05488	11.9
92.05025	1.4
93.07063	5.6
94.04184	11.4
95.04974	7.0
95.08622	14.6
102.96751	13.9
103.97546	45.0
107.04964	2.8
109.06545	6.7
109.10142	4.5
110.06060	2.7
115.38673	1.1
119.04906	3.0
122.03661	14.2
122.07304	5.1
136.95517	5.3
137.00923	1.9
137.02521	11.1
137.04323	1.3
137.05968	31.2
137.09628	10.5
137.10628	2.0
137.13269	1.9
138.05505	6.8
156.72543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
54.03662	0.8
55.01870	1.7
55.05511	1.2
58.04233	1.9
58.99525	0.6
61.01158	26.5
63.94433	1.5
65.03934	3.0
65.37691	0.7
66.04733	6.8
67.05505	9.7
69.03404	1.1
69.31749	3.9
69.32173	2.9
70.99591	0.7
73.01145	10.5
74.01929	3.7
74.03234	0.7
75.02689	3.0
77.03912	1.0
78.96782	17.7
79.05495	7.0
81.03408	2.1
81.07049	8.9
88.03490	1.1
89.00623	30.9
90.01413	1.7
91.05489	14.2
92.05847	1.0
93.07065	6.3
94.04193	45.7
94.06569	1.5
95.04990	5.1
95.08609	5.2
98.69043	0.7
103.02171	1.2
105.03414	1.0
105.04514	1.0
105.27534	0.7
107.04940	3.4
109.06537	7.7
109.10167	2.7
110.06034	1.9
119.04942	2.9
119.08581	1.1
122.03658	61.9
122.07311	4.3
137.00911	1.0
137.02528	5.4
137.05980	100.0
137.09612	8.3
138.05457	3.4
138.06384	1.2
138.09123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.42712	1.4
51.02401	1.7
53.03962	10.7
55.01876	3.8
55.05513	12.6
58.99589	4.4
60.40142	1.4
61.75694	1.6
62.99084	8.2
65.03951	3.7
67.05514	32.2
69.07079	8.3
71.01340	1.5
71.55373	2.5
72.00358	4.7
74.68935	1.5
74.99055	4.2
77.03906	1.8
79.05504	77.5
79.43181	1.3
81.07071	27.2
85.54245	1.4
91.05489	41.9
93.07056	100.0
95.04980	13.6
105.04547	5.4
105.07043	13.1
107.01682	4.5
107.04969	8.6
107.08607	68.7
109.01131	4.5
109.06533	2.9
112.10548	1.7
115.05456	3.3
116.98308	1.7
117.07021	3.1
119.06077	2.0
119.08598	5.3
120.09412	2.2
133.10107	2.1
135.04469	12.4
135.05473	3.2
135.06525	2.4
135.08078	19.5
135.09027	2.9
135.10681	3.5
135.11710	60.1
135.94711	6.8
136.02167	38.7
136.06200	13.8
136.07555	4.8
144.78888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02371	1.4
53.03952	8.8
55.01857	1.5
55.05514	10.3
58.99584	3.4
62.99072	3.9
65.03936	2.7
66.71205	1.1
67.05171	2.2
67.05507	29.5
69.07069	9.6
71.01347	2.2
71.55238	1.7
72.00350	5.6
74.99054	3.6
79.05497	68.4
81.07062	29.0
83.71510	1.3
91.05486	33.1
93.07050	100.0
94.07352	1.6
95.04981	10.3
105.04523	4.2
105.07030	7.2
107.01671	2.9
107.04974	7.0
107.08597	58.2
108.08903	1.6
109.01093	1.8
109.06516	2.3
119.03543	1.5
119.08575	2.5
120.09313	1.2
122.90401	1.2
133.10152	2.0
135.04414	5.4
135.05496	2.4
135.06491	1.5
135.08072	9.0
135.09067	2.0
135.11699	52.5
135.94705	5.5
136.02176	30.2
136.03239	1.8
136.06195	12.3
136.07550	2.6
136.12013	2.6
137.04597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
53.30752	0.3
55.01868	0.3
56.28533	0.2
56.96330	0.3
56.96569	3.4
65.03932	0.3
67.02982	0.4
69.03426	0.3
70.60069	0.4
70.60400	0.5
71.39115	0.3
77.27411	0.2
79.05489	0.4
87.56898	0.2
90.01546	0.8
91.05489	6.5
92.02491	0.7
93.05814	0.3
94.04076	3.7
94.06552	0.7
98.97581	0.5
99.02094	0.7
99.46031	0.3
107.04933	0.3
109.01109	0.7
109.05158	0.6
113.00909	0.5
116.98738	0.3
117.05788	0.4
117.78090	0.2
118.06545	5.7
119.03563	10.0
119.04954	1.1
121.96931	0.3
122.03654	1.0
131.01917	3.5
132.02133	0.3
136.02182	4.8
136.06194	100.0
136.93132	0.5
137.04594	6.7
137.05927	1.4
137.06760	0.4
149.02902	0.3
154.94231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0621
Annotation	Adenine
Peak:m/z	Relative Intensity
55.01893	0.3
56.96574	1.5
57.03420	0.3
65.03943	0.5
67.03001	0.4
69.86390	1.2
82.01443	0.4
91.05492	29.7
92.02483	0.6
92.05836	0.6
94.04072	3.8
94.06579	0.2
94.77269	0.2
100.02486	0.6
101.00888	0.3
107.04960	1.3
108.08142	0.2
109.05151	0.6
109.06508	0.7
109.61906	0.2
112.05125	0.3
113.00891	0.7
116.98652	0.3
117.70242	0.2
118.06538	1.1
119.03577	10.9
119.04935	7.5
125.81107	0.2
131.01929	5.1
136.02161	0.9
136.06204	100.0
136.07509	4.1
137.04599	6.5
137.05730	0.4
137.06631	0.5
149.02992	1.4
154.03529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03962	10.7
55.01875	4.1
55.05516	12.5
58.99585	5.1
62.99065	5.9
65.03954	4.0
65.73450	1.7
67.05508	30.2
69.03436	1.5
69.07083	8.8
69.42747	11.5
70.99587	3.3
72.00364	9.4
74.99059	3.5
77.03883	1.6
79.05499	73.2
80.05016	2.5
81.07063	31.1
89.02518	1.3
91.05486	38.5
93.07053	100.0
95.04971	10.3
101.16064	1.3
104.31522	1.4
105.04527	4.4
105.07047	11.7
107.01661	3.1
107.04971	6.8
107.08605	65.3
109.01131	4.6
109.06522	3.7
114.09427	1.4
115.05452	2.9
117.07024	2.7
119.03557	1.6
119.06063	2.2
119.08606	4.4
120.67080	1.6
133.10086	2.2
134.93898	1.8
134.99382	1.5
135.04440	6.8
135.05504	3.7
135.06543	2.0
135.08090	11.3
135.09058	2.0
135.11711	58.4
135.94731	10.2
136.02173	38.9
136.03870	1.9
136.06212	15.8
136.07578	4.1
136.11169	1.9
142.44519	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	14.8
55.01863	2.1
55.05512	15.9
58.99594	9.8
62.58070	1.6
62.99073	7.5
65.03946	3.9
67.05169	2.5
67.05508	31.0
69.07067	7.6
69.45391	8.0
69.45800	4.6
70.99567	7.5
71.01340	5.5
72.00362	21.7
74.99091	8.3
79.05500	91.4
80.05041	1.8
80.05833	1.7
81.03436	2.2
81.07069	28.8
88.30222	1.7
90.96755	5.5
91.05489	40.7
93.00074	2.5
93.07050	100.0
94.07848	2.7
95.04977	17.4
102.42216	1.9
102.96749	2.1
105.04527	4.0
105.07056	12.1
107.01656	6.3
107.04975	14.0
107.08603	72.4
108.08113	2.0
108.08898	2.2
109.01094	5.2
109.06548	3.0
115.05456	3.1
116.98343	2.1
117.07018	4.5
119.06065	2.2
119.08575	4.8
120.09330	1.8
133.10092	2.4
134.93921	4.4
134.97368	2.2
134.99374	1.9
135.04431	14.5
135.05487	3.2
135.06575	2.8
135.08067	14.6
135.09033	2.6
135.11703	62.6
135.94710	20.5
136.02177	57.4
136.05191	3.8
136.06198	21.3
136.07581	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.03946	6.6
55.01875	1.1
55.05511	7.8
56.48322	0.9
57.07079	1.9
58.99570	0.8
59.24803	0.9
62.99078	0.9
65.03936	3.5
67.05493	3.2
69.07084	2.1
71.54800	1.4
74.99072	1.6
77.03902	1.3
79.05497	23.7
80.28222	0.8
81.07061	2.3
91.05489	56.6
93.07048	56.1
95.04976	7.3
95.08578	1.2
103.05471	1.6
104.06210	1.3
105.04502	1.8
105.07040	26.1
106.07837	2.0
107.01661	1.3
107.04955	2.7
107.08602	100.0
108.08942	1.5
109.06528	8.6
117.07011	4.4
119.06116	4.7
119.08593	29.1
120.09389	6.1
133.10159	2.8
134.97394	1.1
135.04469	4.6
135.05452	1.0
135.08070	5.3
135.10680	2.1
135.11699	39.4
136.02176	9.1
136.06155	2.2
136.11983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02394	1.4
53.03947	9.4
54.38879	0.9
55.01867	2.1
55.05523	8.8
55.91272	0.8
58.99580	1.9
61.01163	1.8
62.99060	3.0
64.22188	0.9
65.03941	3.6
67.05511	3.0
69.07069	3.7
71.14857	1.4
73.01149	11.6
74.99038	0.8
77.03939	0.9
79.05502	28.5
81.07069	2.4
88.99728	0.9
89.00607	0.9
91.02200	1.7
91.05489	72.9
93.07050	54.5
94.07339	1.2
95.04984	9.6
95.08612	1.9
103.05476	1.9
105.04516	2.3
105.07037	36.8
106.07865	1.7
107.01633	1.4
107.04980	6.0
107.08602	100.0
108.08934	2.5
109.06526	10.0
112.11755	0.9
115.05460	2.2
116.98321	2.5
117.07035	5.3
119.05048	1.1
119.06067	5.0
119.08586	25.4
120.09392	9.5
133.10120	1.4
134.99446	1.1
135.04440	4.1
135.08080	12.1
135.10696	1.5
135.11707	27.6
136.02171	7.6
136.06210	2.9
136.07565	1.1
147.09276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03948	7.5
55.01662	1.5
55.01877	16.3
55.05515	2.3
58.99578	3.8
59.96705	1.4
62.99076	3.8
65.03948	8.2
67.05508	10.3
69.03429	14.7
70.25687	6.0
70.99580	2.3
72.00370	7.6
74.99070	3.2
79.05499	58.1
79.05959	2.8
81.07068	2.2
87.16872	1.5
91.05487	100.0
92.05792	3.6
92.06285	3.0
93.07043	17.4
95.04977	11.6
105.04542	2.4
105.07045	35.2
107.04971	13.9
107.08602	56.8
108.08909	1.7
109.01109	4.7
109.06521	15.2
115.05463	29.6
116.98352	1.8
117.07037	20.9
119.03543	1.8
119.06107	7.4
119.08576	2.6
120.05688	2.2
129.76785	1.5
134.93944	1.9
135.04411	11.7
135.05478	2.8
135.06563	2.2
135.08072	42.2
135.09109	2.6
135.11693	5.8
135.94714	4.5
136.02177	58.6
136.05249	2.9
136.06195	16.3
136.07552	2.7
140.79126	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02382	2.4
53.03708	0.9
53.03948	14.8
55.01874	1.4
55.05521	7.6
57.07064	1.2
58.99570	1.0
61.01155	0.9
62.99065	2.2
65.03948	4.4
67.05502	4.4
69.07072	4.1
69.48994	2.9
69.49407	3.1
71.01353	1.2
73.01148	7.0
74.99072	1.8
77.03931	2.3
79.05495	33.1
81.03397	2.1
81.07050	3.9
89.03931	2.0
91.05486	71.5
92.02610	5.9
92.06293	1.1
93.07047	45.5
95.04975	23.3
103.05489	2.4
104.06256	1.4
105.03401	1.6
105.04512	6.4
105.07037	32.4
106.07850	1.1
107.01644	1.5
107.04972	9.8
107.08598	100.0
108.08984	1.0
109.01102	1.2
109.06513	10.5
115.05439	4.1
117.06998	5.2
119.05251	0.7
119.06068	5.7
119.08582	24.6
120.09384	7.7
129.50063	0.9
133.10139	2.4
135.04425	35.1
135.08049	9.7
135.11699	36.7
136.02173	13.0
136.05173	1.2
136.06180	3.2
136.07587	2.3
137.09625	1.0
147.09167	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.50251	1.1
53.03944	5.5
55.05516	7.3
57.07077	2.7
58.93143	1.2
59.65178	1.1
61.01135	2.7
65.03930	2.9
67.05495	2.8
68.28196	1.0
69.07063	2.6
70.01457	4.8
71.59274	1.2
75.68924	1.0
79.05057	1.8
79.05495	20.8
81.07048	2.5
91.05484	50.5
93.07047	47.2
95.04964	6.8
103.05468	1.7
104.98299	2.1
105.04525	2.3
105.07034	26.6
105.48458	1.1
107.04953	2.2
107.08601	100.0
108.08906	1.6
109.06524	8.1
115.05428	1.4
116.98322	2.4
117.07014	3.8
117.74446	1.2
117.99128	2.6
119.06062	4.1
119.08590	22.5
120.09382	6.7
131.50919	1.2
133.10075	2.2
135.08029	3.2
135.10695	2.6
135.11700	37.4
136.02179	3.5
136.06134	1.3
137.09654	1.3
138.31989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.96331	2.3
53.03949	19.4
55.01867	6.9
55.05504	8.3
56.77448	2.1
58.44588	2.3
58.99577	7.0
61.01143	4.3
62.99084	6.7
65.03944	9.5
67.05493	10.6
69.07070	5.2
69.87601	12.9
70.99590	3.2
71.01331	3.2
72.00357	7.6
74.99058	5.1
79.05495	93.8
80.06272	15.0
81.07059	6.9
91.05480	79.3
93.07049	49.2
95.04985	25.4
104.98307	2.8
105.04520	8.2
105.07031	34.5
107.01656	4.9
107.04285	4.7
107.04966	65.0
107.08598	100.0
108.05727	7.6
109.01106	7.2
109.06517	8.7
115.05450	6.0
116.98365	2.8
117.06997	7.7
118.04147	6.7
119.04989	3.7
119.06064	7.1
119.08606	18.6
120.09379	5.4
135.04456	28.1
135.05473	5.7
135.06563	3.0
135.06943	3.0
135.08060	49.3
135.11693	29.8
135.94717	9.6
136.02171	79.6
136.04166	3.3
136.05193	30.1
136.06201	21.3
136.07530	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.43446	1.2
52.52172	1.3
53.03714	1.2
53.03936	8.8
53.28960	1.4
55.01862	2.2
55.05515	9.6
58.99580	3.3
61.01147	3.3
62.99067	4.4
65.03931	5.5
67.05503	5.5
69.03391	1.4
69.07059	3.6
70.09306	1.4
71.54710	1.8
72.00357	1.7
72.77372	1.3
74.99065	3.5
79.05498	33.6
81.07044	3.3
83.68336	1.4
91.05484	68.3
93.07048	53.2
95.04968	10.6
102.96759	1.7
103.05474	1.8
104.06223	2.3
105.04507	2.2
105.07033	30.9
107.01617	2.6
107.04945	7.7
107.08599	100.0
108.08115	2.8
108.08868	1.4
109.01119	2.6
109.06538	8.4
115.05515	1.7
116.98299	3.9
117.07034	2.6
119.06065	3.4
119.08586	22.9
120.09372	5.7
129.99792	1.4
133.10168	2.3
134.99342	2.4
135.04430	8.7
135.08060	11.2
135.11694	37.3
136.02167	26.0
136.06169	7.2
136.07613	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	134.0451
Annotation	D-Aspartate
Peak:m/z	Relative Intensity
54.31403	4.2
70.58947	14.9
74.02448	100.0
86.78915	4.2
88.03999	45.8
90.57522	5.2
92.23598	4.1
137.50020	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	134.9934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28077	0.4
53.03946	1.3
53.19852	0.4
58.99589	17.6
59.92564	0.4
59.96729	1.4
62.99076	0.9
65.03938	0.8
67.05521	0.7
70.84704	1.1
70.99574	1.8
71.01335	0.4
72.00358	1.8
73.01148	11.1
74.99051	1.2
79.05504	4.1
81.07044	0.4
81.51791	0.4
84.00353	11.3
84.00859	0.6
85.01118	1.0
86.01895	0.5
87.02707	2.2
88.92219	0.4
89.00574	0.6
90.96758	0.6
91.02175	0.8
91.05488	4.5
92.02623	0.6
93.07042	2.2
95.04985	1.0
99.02686	0.5
99.64529	0.4
101.00607	9.0
102.96750	3.3
103.05512	0.6
105.07022	2.0
106.99948	0.4
107.01675	0.6
107.04965	1.8
107.08601	6.1
109.01147	0.5
109.06530	0.8
113.40030	0.4
116.98309	100.0
117.07063	0.5
117.99099	27.9
119.03527	0.5
119.08553	0.6
126.15128	0.4
134.93951	0.7
134.99348	32.3
135.04424	2.8
135.05522	1.1
135.08061	2.1
135.11719	0.7
135.94687	2.2
135.99672	0.7
136.02176	7.9
136.06197	3.8
136.07433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0443
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01606	1.0
51.02385	3.2
53.03952	34.9
55.01875	2.8
58.99588	4.5
61.01143	0.6
62.73509	0.4
62.99074	1.1
63.02366	0.6
63.59504	0.4
65.03931	1.0
67.05510	1.6
68.99807	0.5
69.07061	0.6
70.25815	1.6
70.99576	1.7
71.01349	0.5
72.00375	3.0
73.01132	2.0
74.99055	1.8
77.03931	5.8
77.04346	0.7
79.05497	19.1
80.05840	0.6
81.03413	4.1
84.00348	1.9
90.96737	0.7
91.05483	4.3
92.02630	24.7
93.07035	3.3
95.04975	46.2
98.20837	1.0
101.00610	0.8
105.03443	4.6
105.04515	15.9
105.07024	1.8
107.01657	1.1
107.04970	5.7
107.06136	0.5
107.08606	4.7
109.01145	0.8
109.06501	0.6
112.69970	0.4
116.98307	19.0
117.99097	5.0
118.06529	0.8
120.02081	1.0
120.74324	0.5
134.93953	0.7
134.97363	1.9
134.99365	4.5
135.04425	100.0
135.08064	1.9
135.11729	1.0
135.94717	2.9
136.02171	11.4
136.04836	1.8
136.06171	4.0
136.07559	1.3
138.03116	4.4
139.85513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.11040	0.3
53.03947	1.7
55.01869	0.3
55.05521	3.0
56.78876	0.2
57.17128	0.3
61.01162	0.4
65.03934	0.5
67.05497	0.8
67.51321	0.3
70.81778	0.5
70.82096	0.4
71.05015	0.3
77.03922	0.6
77.26862	0.3
78.04726	0.4
79.05498	7.5
84.88217	0.3
89.47039	0.3
91.05489	23.1
92.06283	0.4
93.07054	5.9
95.04980	1.6
103.05476	4.5
105.07039	55.5
106.07381	0.9
107.08594	2.1
115.05462	8.0
116.06248	1.0
117.07029	8.2
118.07812	9.2
123.07964	0.6
129.07028	0.8
131.08583	7.9
132.97797	0.5
133.10138	100.0
134.10471	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	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95874	2.1
53.03958	3.1
55.01873	7.4
55.35009	2.4
56.05030	9.4
56.86402	2.7
56.96558	8.2
57.03434	17.5
58.06608	11.7
58.99855	2.9
61.01163	6.1
62.01091	2.5
62.01466	4.6
62.99096	11.6
65.00626	2.6
66.92542	2.7
68.02618	3.5
69.03429	7.5
70.06597	42.5
70.99876	3.6
71.04991	25.7
71.47983	2.4
71.54693	3.7
72.08146	8.9
73.02926	22.2
74.02030	5.3
74.02448	100.0
74.06086	14.3
79.02189	3.7
79.05499	5.0
81.03406	3.3
82.01443	3.8
83.00780	4.2
83.33682	2.0
84.52949	2.7
85.02901	9.2
86.52715	4.9
88.02209	6.9
88.02676	11.3
88.03139	2.7
88.03985	20.4
88.07638	31.3
90.09200	9.3
93.01899	6.7
93.53488	7.0
96.04495	2.6
98.06065	6.2
99.04440	4.7
100.02496	17.2
100.52425	3.2
101.00890	19.1
102.00981	2.5
102.02406	11.8
102.09177	11.4
102.52547	4.2
106.06583	4.9
107.01669	10.8
109.02841	3.0
111.02943	13.4
113.00885	3.5
116.07045	5.5
116.98610	2.9
118.03508	7.0
119.01926	45.1
120.02016	6.3
120.03428	4.5
124.02464	11.1
131.01920	18.6
133.03419	5.6
134.03639	3.2
134.06015	13.5
134.11778	20.2
137.02957	6.7
142.03522	40.5
143.01894	2.7
143.03610	4.9
145.03447	3.5
147.01477	2.5
150.87769	2.3
154.03474	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.02346	0.6
51.02385	0.7
53.03949	3.5
55.05513	4.3
63.85715	0.6
65.03931	1.3
67.05519	1.5
69.28678	4.4
69.29083	0.9
71.04996	1.6
77.03929	1.0
79.05504	9.8
91.05486	35.6
91.72025	0.7
93.07053	6.5
95.04980	2.3
103.05467	5.4
105.07038	96.9
106.06590	0.8
106.07358	1.8
107.08614	2.0
108.16985	0.6
110.92368	0.6
112.02141	0.7
115.05467	9.2
116.06261	2.4
117.07022	10.3
118.07806	9.8
123.07970	1.1
124.92722	0.7
129.06967	1.0
131.08578	11.7
132.97784	1.2
133.06508	2.0
133.10139	100.0
134.06015	0.7
134.10484	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75702	0.9
51.88303	0.8
53.03948	4.5
55.05502	3.9
61.01146	3.0
65.03953	1.2
67.05492	1.0
67.80463	0.8
69.44895	6.0
69.45300	2.1
71.04983	1.7
79.05495	10.3
91.05490	33.0
93.07044	8.1
95.04982	1.7
103.05482	6.0
104.98314	1.4
105.07040	100.0
106.07399	1.6
107.08628	1.9
115.05469	8.9
116.06236	2.1
117.07017	9.8
118.07809	10.6
129.07056	1.1
131.08586	13.0
132.97784	10.5
133.02834	1.2
133.06538	7.9
133.10143	78.4
134.05974	0.9
134.10481	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.57444	0.4
53.03947	2.6
55.05521	2.8
56.67615	0.4
61.01165	0.6
65.03938	0.9
67.05493	0.9
67.18257	0.4
70.79132	1.1
71.04961	0.5
77.03928	1.1
79.05497	9.2
91.05483	27.7
92.06292	0.6
93.07056	6.3
95.04958	2.3
103.05470	4.0
105.03432	0.8
105.07034	75.9
106.07366	1.5
107.08608	1.2
115.05464	8.2
116.06276	0.8
117.07018	9.2
118.07800	10.7
118.08572	0.8
129.07007	0.5
131.08580	10.0
132.97781	2.0
133.02887	2.2
133.10133	100.0
134.10451	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	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69908	1.1
53.03939	6.0
54.24913	1.2
55.05512	16.1
56.45739	1.1
58.99592	27.9
59.96725	1.3
61.01150	3.6
62.98252	1.2
65.03946	47.1
66.04690	1.5
67.05167	1.8
67.05508	20.5
68.06276	8.3
69.07072	92.2
70.67936	3.1
71.04986	1.1
73.00773	2.1
73.01145	23.0
77.03911	2.1
78.96786	13.7
79.05486	8.1
85.01135	24.4
86.64915	1.2
87.02697	65.0
90.96777	1.5
91.05480	22.8
93.07043	4.5
95.04987	2.6
97.01111	5.0
98.21675	1.1
99.02683	100.0
100.03490	9.4
103.05470	5.6
104.98306	4.4
105.07035	74.3
112.02232	3.1
112.91426	1.2
113.02967	2.6
115.05467	6.5
117.07026	6.8
118.04095	1.1
118.07800	6.7
123.07929	4.9
131.08594	5.7
132.97809	5.9
133.01422	71.1
133.04825	3.1
133.06502	14.4
133.10139	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14155	1.0
53.03944	8.6
55.05519	10.5
57.03451	1.0
58.99590	28.7
59.96721	1.3
61.01146	4.3
63.00713	1.1
65.03605	1.8
65.03945	34.5
67.05514	11.2
68.06281	3.3
69.07074	49.6
69.96482	4.8
70.07412	1.1
70.99577	1.4
71.04987	3.3
73.01145	12.8
77.03929	1.2
78.96782	8.8
79.05504	10.9
81.04537	1.6
83.55447	1.0
85.01137	18.2
87.02694	21.3
87.10006	1.0
89.04221	1.2
91.05489	29.0
93.07061	5.9
95.04974	3.0
97.01109	2.7
98.99069	1.1
99.02685	79.2
100.03488	7.6
103.04896	1.1
103.05464	6.2
104.98328	2.1
105.03403	1.0
105.04552	1.6
105.07037	81.6
106.07371	1.4
112.02204	3.4
113.02970	2.7
115.03837	5.1
115.05473	8.2
116.06268	1.3
117.07027	10.4
118.07806	8.6
123.07938	7.4
131.08557	10.0
132.97789	17.1
132.99391	2.2
133.01425	38.9
133.02902	2.1
133.04861	4.2
133.06494	7.7
133.07607	3.7
133.10139	100.0
134.06023	1.6
144.04753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.6
54.03468	3.1
55.05518	11.9
57.03464	2.5
58.99591	30.5
59.96714	2.4
61.01154	9.8
63.00733	2.6
65.03949	44.5
67.05499	15.1
69.07070	69.9
70.06602	2.9
70.33517	2.4
71.04997	8.2
71.54623	3.2
73.01155	17.4
78.96794	11.2
79.05495	17.4
81.04537	4.3
81.55766	2.5
83.47628	2.3
85.01142	28.3
87.02695	18.8
87.03159	3.5
88.02235	3.1
88.39022	2.8
89.00669	2.6
89.85462	2.1
91.05479	35.5
93.07072	4.7
95.04986	5.2
96.72440	2.4
97.01115	5.5
97.02899	2.4
99.02684	100.0
100.03498	15.2
101.07941	2.3
103.05479	7.4
104.98338	5.2
105.03378	2.9
105.07034	89.6
106.06548	2.6
110.06042	4.6
112.02235	10.9
113.02993	6.6
113.36961	2.1
115.03824	11.6
115.05455	5.5
118.07813	2.9
123.07967	16.0
131.08560	6.6
132.97801	35.6
132.99419	6.4
133.01431	42.8
133.02875	8.8
133.04890	7.0
133.06508	19.4
133.07629	12.1
133.10146	38.5
134.06050	5.6
144.04768	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	133.032
Annotation	THTC
Peak:m/z	Relative Intensity
51.02394	0.6
53.03953	20.8
55.01883	1.2
56.96569	1.8
57.03444	5.5
58.06609	0.6
58.99594	14.6
59.05009	0.9
59.96723	3.1
60.95867	0.8
61.01157	84.6
61.02921	0.9
62.01495	0.7
69.03447	2.4
69.34797	1.2
69.35205	3.4
70.06602	0.7
70.99583	0.9
71.01379	0.5
71.05001	13.0
72.00344	3.2
73.01185	0.5
73.02924	1.4
74.02437	5.6
74.06100	0.9
74.99072	5.3
75.02711	5.4
77.00628	5.9
79.05520	0.8
84.01586	1.3
85.01135	9.5
85.02911	12.7
87.02702	100.0
87.10051	1.4
88.02204	0.6
88.03059	0.6
88.04009	0.9
89.00646	1.2
89.04267	0.9
91.02193	4.2
91.05521	1.2
93.02101	1.0
97.02866	0.6
98.97660	0.5
100.02524	0.6
102.96860	0.5
103.02464	1.1
103.05397	0.7
105.00105	6.1
105.03770	3.6
105.07034	3.6
105.68659	0.5
115.02172	1.1
115.03927	0.7
115.69891	0.5
116.07113	0.5
119.01936	1.5
123.69076	0.5
131.01964	0.6
133.03207	23.7
133.04947	1.3
133.06534	0.7
133.07585	0.7
133.10164	1.6
151.04553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.6
53.03953	20.8
55.01883	1.2
56.96569	1.8
57.03444	5.5
58.06609	0.6
58.99594	14.6
59.05009	0.9
59.96723	3.1
60.95867	0.8
61.01157	84.6
61.02921	0.9
62.01495	0.7
69.03447	2.4
69.34797	1.2
69.35205	3.4
70.06602	0.7
70.99583	0.9
71.01379	0.5
71.05001	13.0
72.00344	3.2
73.01185	0.5
73.02924	1.4
74.02437	5.6
74.06100	0.9
74.99072	5.3
75.02711	5.4
77.00628	5.9
79.05520	0.8
84.01586	1.3
85.01135	9.5
85.02911	12.7
87.02702	100.0
87.10051	1.4
88.02204	0.6
88.03059	0.6
88.04009	0.9
89.00646	1.2
89.04267	0.9
91.02193	4.2
91.05521	1.2
93.02101	1.0
97.02866	0.6
98.97660	0.5
100.02524	0.6
102.96860	0.5
103.02464	1.1
103.05397	0.7
105.00105	6.1
105.03770	3.6
105.07034	3.6
105.68659	0.5
115.02172	1.1
115.03927	0.7
115.69891	0.5
116.07113	0.5
119.01936	1.5
123.69076	0.5
131.01964	0.6
133.03207	23.7
133.04947	1.3
133.06534	0.7
133.07585	0.7
133.10164	1.6
151.04553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
57.03436	0.7
58.99594	0.4
61.01152	1.0
65.03946	0.8
68.04557	0.4
69.07079	2.8
69.29749	3.3
70.03777	0.6
75.84243	0.4
79.05491	1.2
84.08141	0.6
85.04828	0.6
85.08495	2.3
86.09707	0.8
89.00606	0.5
91.05487	100.0
92.05821	1.9
95.04952	0.4
97.01132	0.7
97.06532	0.8
98.01916	0.9
103.03844	0.4
103.05469	3.4
105.07034	1.1
107.91010	0.3
113.04226	2.8
113.07961	1.4
115.05464	7.5
116.06249	23.9
117.06576	0.5
128.06229	1.6
129.07019	14.1
130.07285	0.4
130.99858	3.8
131.05206	1.4
131.08575	86.7
132.08096	0.5
132.08917	2.5
133.06522	0.8
143.06059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
57.42502	0.4
64.98659	0.4
69.07066	4.2
70.49709	1.4
86.09711	100.0
87.10033	0.7
132.10226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.05510	3.6
55.05719	0.6
58.06599	3.3
59.07383	1.6
59.63906	0.6
60.08159	3.7
61.01161	1.4
69.07070	7.2
71.09750	1.0
72.05637	1.1
73.06550	1.1
84.01577	1.0
84.08139	1.0
86.06079	1.3
86.09707	100.0
87.02676	1.5
87.04478	1.2
87.10040	1.4
97.54110	0.7
101.05988	0.8
104.23999	0.8
132.10226	5.7
132.13876	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
57.03438	0.8
57.05344	0.5
61.01145	0.7
64.19522	0.4
65.03939	1.7
66.61803	0.4
69.03413	0.5
69.07073	3.4
69.44370	0.4
70.03759	1.0
73.01151	0.7
79.05487	0.7
84.08111	0.8
85.04848	1.5
85.08472	2.5
86.09712	1.3
89.00624	0.7
91.05483	100.0
92.05816	1.9
95.04877	0.4
96.24245	0.4
97.06474	0.8
98.01908	0.7
98.20778	1.1
103.05465	4.8
105.07034	0.7
105.79463	0.4
113.04219	3.5
113.07919	2.1
115.05456	6.8
116.06249	21.2
128.06221	1.8
129.07005	14.3
130.07292	0.6
130.99855	5.3
131.05289	2.5
131.08571	83.1
132.08896	1.9
133.06525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
56.38351	0.4
57.03441	0.7
58.99580	0.7
65.03941	1.1
69.07070	2.7
69.45775	3.4
70.03773	0.8
73.01143	0.7
79.05504	0.9
84.08144	1.1
85.02861	0.5
85.04854	1.5
85.08468	3.0
86.09712	1.3
89.00622	0.8
91.05486	100.0
92.05816	2.3
95.04977	0.6
97.01133	0.8
97.06557	0.7
98.01900	1.6
103.03840	0.6
103.05470	4.4
105.07059	0.8
113.04236	2.7
113.07960	2.8
115.05457	8.3
116.06247	21.5
116.71775	0.5
117.82980	0.5
128.06235	1.8
129.07018	14.6
130.99884	3.8
131.03339	0.7
131.05191	1.9
131.08572	87.7
131.16281	0.6
132.08049	1.0
132.08934	1.8
133.06464	1.1
133.42455	0.4
139.61809	0.5
143.06099	0.7
145.06519	0.4
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
53.03956	0.8
57.03453	0.8
57.50800	0.4
58.99587	0.4
59.30162	0.3
61.01152	0.5
65.03957	1.0
65.28772	0.4
67.04698	0.3
69.03464	0.4
69.07071	2.8
70.03765	0.4
71.12747	0.7
79.05491	1.2
80.82235	0.4
84.08157	0.8
85.04856	1.4
85.08466	2.2
86.09705	0.5
91.05486	100.0
92.05817	2.3
95.04984	0.5
96.02045	0.4
97.01083	0.5
97.06541	0.5
98.01910	0.9
99.88065	0.4
103.05476	5.5
105.07040	0.9
113.02319	0.4
113.04229	2.7
113.07950	1.7
115.05457	7.1
116.06248	24.0
117.06591	0.4
128.06252	1.9
129.06013	0.7
129.07013	15.5
130.99860	5.3
131.05363	1.9
131.08574	84.4
131.16293	0.5
132.08057	0.6
132.08911	2.6
133.06512	0.5
143.05994	0.4
145.06171	0.4
148.05214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01870	1.6
57.03187	1.4
57.03444	18.3
57.07073	2.5
58.99585	4.2
61.01155	32.0
62.99079	2.3
63.99858	3.5
65.99419	1.4
67.05506	4.2
67.74259	0.8
69.03422	2.3
69.07072	91.7
69.27723	2.4
69.28126	6.5
70.03765	2.1
70.07389	2.0
71.04982	2.4
71.20158	0.8
71.81015	0.9
73.01144	10.7
75.02709	2.0
79.05497	29.7
80.05824	1.2
80.06284	1.7
84.08151	1.1
85.01136	3.3
85.04842	1.6
85.06546	1.7
85.08479	3.4
86.09716	4.2
89.00641	8.3
91.05498	9.4
95.04970	6.0
97.01122	1.2
97.06541	33.1
98.01927	2.8
103.05455	23.9
105.04507	1.2
112.26295	0.8
113.04239	100.0
113.07938	9.3
116.06275	3.2
129.06995	1.1
130.99892	2.4
131.05280	68.5
131.06903	4.2
131.08469	7.4
131.16298	2.9
132.05711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01863	1.7
57.03441	16.0
57.07084	2.3
57.57068	1.1
58.99586	4.7
59.96698	1.3
60.99174	1.5
61.01158	33.6
65.03940	1.5
67.05505	2.8
67.18954	1.2
69.07075	90.0
70.03770	1.6
70.30868	5.0
73.01147	12.5
75.02711	3.1
79.05499	24.6
85.01146	3.4
85.06570	1.2
85.08503	2.9
85.72031	1.2
86.09706	2.2
89.00623	14.3
91.05486	16.8
95.04986	3.0
97.01126	3.8
97.06535	27.6
97.07143	2.1
98.01896	7.2
98.21495	1.2
99.02735	1.6
103.03861	1.4
103.05428	14.1
113.04241	100.0
113.07925	8.7
116.06245	5.9
129.07005	2.9
130.99867	10.3
131.05281	66.0
131.06889	2.7
131.08540	15.4
139.66551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21332	1.0
53.03939	4.0
53.61339	1.0
55.01877	1.3
56.50590	1.0
57.03440	16.1
58.99589	5.3
59.04993	0.9
60.99161	2.9
61.01156	32.0
65.03935	1.8
67.05508	6.8
69.03436	2.0
69.07072	92.7
70.03758	3.1
70.07391	1.4
71.04980	2.3
71.06794	1.8
73.01146	15.2
75.02698	3.1
79.05498	28.1
80.06321	1.3
85.01140	3.6
85.04855	2.9
85.06518	1.2
85.08475	3.8
86.09705	3.1
89.00623	13.9
91.05484	24.8
95.04982	6.9
97.01123	2.8
97.06539	32.4
98.01891	5.5
103.03827	3.8
103.05454	37.9
105.04530	1.1
113.04237	100.0
113.07926	8.5
115.05460	1.3
116.06255	3.2
129.07031	2.1
130.99884	9.2
131.03294	5.8
131.05276	69.0
131.06892	4.0
131.08546	17.3
132.05637	1.4
139.97110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62837	1.6
53.03950	5.2
55.01867	3.1
57.03444	14.7
57.07075	2.2
58.99596	9.6
60.99169	19.5
61.01157	41.4
62.99081	21.7
63.99869	29.9
64.98657	9.4
65.03951	4.0
65.99438	13.6
66.00259	1.9
67.05515	15.9
68.05879	2.0
69.03442	6.5
69.07076	100.0
69.98302	9.4
70.03762	10.3
70.07426	3.0
71.04996	2.7
72.40454	1.6
73.01148	15.1
74.09750	2.1
75.02730	3.1
79.05505	32.6
84.04514	2.6
84.08159	5.4
85.01146	5.0
85.02927	2.4
85.04849	7.7
85.08462	17.0
86.09718	6.9
87.02678	2.3
89.00628	20.6
90.90392	4.0
91.05489	34.1
95.04984	7.9
96.05756	11.4
97.01145	7.6
97.06535	29.6
98.01906	21.0
103.03838	24.1
103.05437	16.0
104.04984	1.9
113.02379	3.2
113.04242	94.9
113.07256	3.5
113.07953	24.4
115.05456	2.8
116.06262	7.9
129.07024	5.1
130.94553	2.4
130.99863	66.6
131.03294	27.7
131.05284	67.9
131.06918	4.5
131.08528	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62870	1.3
53.03940	6.6
53.34974	1.7
55.01874	1.7
55.05510	2.8
57.03449	13.1
57.07067	2.8
58.99591	11.6
59.04995	1.4
60.99171	7.7
61.01155	31.7
62.99062	2.7
63.99853	5.7
64.98654	2.8
65.99440	2.4
67.05509	11.9
68.05824	1.9
69.03416	3.2
69.07072	92.6
69.55460	11.8
70.03748	2.8
73.01147	13.1
79.05502	41.2
80.06277	2.6
81.07042	9.7
83.08619	1.9
85.01137	8.4
85.02920	1.8
85.04853	5.6
85.08483	8.1
86.09706	2.7
87.02704	10.5
89.00623	12.3
90.90405	2.3
91.05489	12.7
95.04972	7.4
96.05788	2.0
97.01107	5.2
97.06538	30.3
98.01913	13.4
98.20823	3.4
98.69135	1.5
99.02674	2.9
103.03824	9.1
103.05442	4.8
113.04239	100.0
113.07960	10.1
114.05087	2.1
116.06258	3.6
130.99857	34.6
131.03293	10.6
131.05270	64.3
131.06883	2.9
131.08513	10.1
131.16248	1.5
139.56226	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43137	2.5
52.41975	2.5
52.60917	2.3
53.03956	12.5
55.01875	2.7
55.05503	6.8
56.96561	4.9
57.03440	16.5
57.07065	4.7
58.99593	18.1
60.99157	10.4
61.01152	29.2
62.52966	2.4
62.99060	8.8
65.03918	3.7
67.05226	2.8
67.05515	31.8
69.03425	4.7
69.07072	81.9
70.03751	9.0
71.54755	4.2
73.01146	12.3
74.17311	2.7
77.00606	3.1
79.05499	99.8
80.06265	5.1
81.07062	47.7
82.07851	13.4
84.04507	4.1
85.01136	21.3
85.02894	3.3
85.04815	9.9
85.08471	21.3
86.09702	8.3
87.02679	12.7
89.00635	20.4
90.90367	10.0
90.90886	2.6
91.05486	61.1
95.04967	17.8
96.05759	4.3
97.01119	14.0
97.06552	23.8
98.01907	24.6
103.03808	14.6
103.05436	15.2
105.04480	3.4
113.02296	4.2
113.04240	100.0
113.07243	3.8
113.07944	26.0
114.05003	6.5
115.05437	4.7
116.06226	8.7
129.07004	9.1
130.98912	5.2
130.99860	83.7
131.03290	15.0
131.05273	84.7
131.06877	6.3
131.08540	53.2
148.97702	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	131.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.4
55.05523	8.8
56.05031	2.0
57.03440	11.5
57.07066	2.9
58.99591	15.5
60.99155	2.1
61.01157	23.2
62.99068	6.7
65.03962	2.2
65.05221	1.8
67.05509	28.1
69.03446	4.5
69.07070	66.2
69.91523	8.7
70.03770	4.6
73.01152	11.7
79.05496	92.4
80.05818	2.1
80.06255	3.0
81.07059	48.2
82.07436	1.8
82.07835	10.2
82.37912	1.7
83.08620	3.0
84.04507	2.4
84.08136	2.5
85.00706	2.4
85.01141	25.7
85.04837	5.8
85.07748	2.0
85.08495	13.4
86.09713	6.2
87.02316	1.7
87.02711	18.3
89.00614	15.4
90.90411	3.6
91.05497	22.5
95.04955	14.1
96.05760	2.1
97.01117	15.1
97.06550	14.3
98.01342	3.2
98.01907	26.6
98.20845	2.4
98.23359	2.1
99.02690	6.6
101.57572	1.7
103.03839	4.6
103.05480	6.4
105.04546	3.3
113.04238	72.9
113.07938	18.1
114.05054	3.6
115.97535	4.0
116.06243	5.8
118.15797	1.7
130.99858	100.0
131.03279	5.7
131.05267	61.4
131.06842	3.7
131.08499	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	131.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56761	1.3
53.03936	3.7
53.20432	1.3
54.38235	1.2
55.01891	2.2
55.05501	1.9
56.96548	1.7
57.03441	18.3
57.05358	1.5
57.07076	1.8
57.50970	1.5
57.70503	1.3
58.07393	1.7
58.99583	8.0
59.04981	1.5
59.67268	1.4
60.99168	7.8
61.01155	36.1
62.99094	2.5
63.00726	1.7
67.05513	9.6
69.02569	1.4
69.03426	5.3
69.07075	89.3
70.03780	7.1
70.07396	2.9
71.07622	2.3
71.07962	2.1
71.93020	1.8
73.01147	17.2
75.02730	2.4
79.05499	32.3
81.07062	3.9
84.04499	1.8
84.08157	2.8
85.01133	5.8
85.04825	8.0
85.07965	2.4
85.08456	12.9
86.09731	7.1
87.02702	2.3
89.00620	17.6
90.90395	3.5
91.05481	28.6
95.04964	9.5
96.05770	3.0
97.01131	6.8
97.06538	27.0
98.01902	14.2
99.02703	2.5
103.03841	11.8
103.05446	22.2
113.04237	100.0
113.07952	23.7
115.97545	2.4
116.06248	6.7
122.84786	1.5
129.07022	4.3
130.99863	44.5
131.03284	14.8
131.05273	63.3
131.06909	2.8
131.08527	24.5
131.16277	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	131.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.4
53.03956	17.3
55.05502	6.1
57.03436	11.3
58.99584	13.1
60.86526	1.5
60.99154	4.1
61.01158	24.7
62.99080	9.1
65.03929	2.5
65.22253	1.9
67.05511	27.8
69.03429	3.2
69.07075	73.8
69.08885	1.5
70.03757	3.4
71.07967	2.1
71.93002	3.9
72.93805	3.1
73.01154	12.1
77.03915	1.7
79.05497	100.0
80.05827	2.9
80.06261	6.2
81.07064	58.9
82.07838	13.3
83.08608	4.2
84.08147	2.2
85.01141	24.5
85.02889	2.3
85.04833	3.3
85.08482	8.9
86.09707	3.8
87.02692	20.2
89.00625	12.6
90.90356	2.7
91.05494	17.2
95.04984	13.1
96.05763	1.9
97.01106	7.5
97.06548	14.1
98.01907	14.8
99.02676	5.1
103.03880	3.0
103.05420	14.2
105.04518	5.4
107.95081	2.3
113.04239	85.1
113.07928	16.0
114.05029	4.2
115.05498	3.1
116.06242	4.0
125.96156	4.4
130.99864	20.9
131.03255	3.0
131.05276	75.0
131.06863	3.3
131.08492	15.1
148.72006	1.5
148.97636	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	129.037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01867	2.2
55.05508	1.9
56.05032	1.2
57.03415	1.3
57.07071	2.3
58.99591	59.6
61.01146	4.9
62.99076	1.0
63.99838	1.3
65.03936	5.2
67.05510	42.1
69.03433	5.3
69.07076	6.0
70.46086	1.4
70.46452	1.9
71.04991	0.8
73.00851	0.6
73.01151	6.8
79.05496	3.3
80.06260	2.6
81.03434	1.1
83.01318	1.1
83.04947	1.3
83.06923	1.0
84.04513	5.4
84.08150	11.7
85.01131	1.8
85.06529	2.0
87.02694	2.2
94.06532	0.8
95.04972	22.0
96.05762	22.4
97.06064	0.8
99.02682	2.5
101.00642	1.4
101.04250	91.9
105.78202	0.8
111.00837	1.0
111.02679	15.1
112.03437	2.9
112.07605	14.9
112.11246	4.1
114.01427	0.9
121.53364	0.7
128.06233	2.4
129.01865	11.6
129.03711	100.0
129.07027	2.7
130.04039	1.6
130.06555	2.0
130.08649	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	130.0654
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02379	0.2
53.03954	1.2
55.01870	0.4
55.05542	0.2
56.05037	1.3
56.53329	0.1
57.03435	0.3
57.07075	1.1
58.21058	0.1
58.99566	0.2
61.01155	0.4
62.45376	0.1
63.99868	0.4
65.99424	0.2
67.04247	1.1
67.05505	0.5
68.05025	0.2
69.03435	10.8
69.07068	1.7
69.60770	1.1
70.06595	0.6
70.74172	0.1
71.04979	0.3
74.09714	1.0
77.03944	0.5
79.05493	0.2
81.73270	0.1
82.06578	0.6
84.04510	9.7
84.08147	12.9
85.02909	0.3
85.04873	0.2
85.08488	0.3
86.15869	0.1
89.00658	0.2
89.68581	0.1
91.05478	0.5
94.06564	0.2
95.04977	1.8
97.01127	0.3
97.06553	0.2
98.01886	0.2
99.02676	0.3
102.04692	0.5
103.05476	12.2
104.04989	0.2
104.05791	0.2
105.04518	0.5
112.07612	24.6
113.02976	0.4
113.04224	0.5
113.07912	0.3
114.05003	0.3
115.05486	0.3
116.06226	0.3
128.05017	1.8
129.07001	0.3
130.06537	100.0
130.15929	1.4
130.99840	0.4
131.05223	0.5
131.06860	2.1
131.08591	0.5
146.06049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
53.89812	0.5
55.01871	1.6
55.05504	0.7
57.07065	2.8
58.99590	61.3
61.01160	3.9
62.99074	3.6
63.99862	7.7
65.03944	5.5
67.05508	36.4
68.06313	0.9
68.99782	0.6
69.03445	3.3
69.07075	7.3
70.69248	2.0
71.91292	0.5
73.01140	1.7
78.04681	0.7
79.05489	0.7
81.03435	1.3
83.04984	0.8
84.04520	2.7
84.08144	5.5
85.06545	2.2
86.99062	0.7
87.02686	1.3
95.04973	21.2
96.05754	22.5
97.01118	1.0
99.02696	1.5
101.04247	97.2
102.04582	1.0
111.02670	12.1
112.03452	4.9
112.07619	7.1
112.11242	0.8
115.02144	1.3
128.06244	0.8
128.94986	0.7
129.01860	3.8
129.03709	100.0
130.04021	1.1
130.06528	1.2
130.08636	1.5
136.01627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01865	1.2
55.05519	0.9
57.03428	1.3
57.07080	2.5
58.99595	57.6
61.01169	3.8
61.33611	0.8
65.03949	4.2
67.05513	40.9
69.03421	2.2
69.07079	7.3
69.35193	5.5
69.35600	1.2
73.01142	1.7
81.03420	1.2
83.04311	0.8
83.04906	0.8
84.04513	2.8
84.08168	4.2
85.06542	2.0
87.02699	2.3
95.04977	20.1
96.05762	20.8
98.20737	1.7
99.02688	2.5
101.04253	84.9
111.02678	12.8
112.03458	4.1
112.07621	3.6
122.33670	0.8
128.06204	0.7
129.01801	3.0
129.03719	100.0
130.03976	1.1
130.08650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.01863	2.0
55.05499	1.9
55.93518	1.0
57.03421	2.2
57.07075	2.1
58.99589	56.8
61.01155	4.2
63.59970	0.9
65.03955	5.0
67.05508	37.4
69.03430	5.8
69.07077	5.3
69.41831	3.6
69.42255	2.9
71.22929	1.1
73.01133	3.0
78.04688	0.8
81.03409	1.2
81.59411	0.8
83.06929	1.0
84.04504	6.6
84.08144	9.3
85.01136	1.2
85.06548	1.2
87.02689	1.8
89.02485	0.8
95.04970	25.2
96.05151	1.3
96.05756	23.9
99.02672	1.0
101.04246	93.0
106.69413	0.8
111.02674	11.6
112.03448	1.6
112.07613	10.5
112.11223	1.0
114.01321	1.1
128.06256	2.0
129.01871	7.2
129.03706	100.0
130.04004	1.2
130.06575	1.0
130.08618	2.7
141.14674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.1
54.48112	0.8
55.01871	1.1
57.07070	2.2
58.99591	62.0
59.12492	0.8
61.01156	4.4
62.99090	5.0
63.99863	10.4
65.03961	5.5
65.04261	1.3
67.05507	41.2
69.03436	1.5
69.07068	5.6
69.75522	3.9
73.51306	0.7
84.04495	1.9
84.08150	2.4
85.01131	1.0
85.06546	2.0
87.02692	1.6
95.04972	23.9
96.05145	1.4
96.05756	24.0
96.67835	0.7
98.20847	1.8
99.02671	1.1
101.04247	100.0
102.04615	0.8
111.02669	13.0
112.03474	1.7
112.07603	4.1
114.01402	1.1
129.03711	96.8
130.04051	1.3
130.08638	1.0
137.33000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01871	1.2
56.53398	0.8
57.03419	0.7
57.07065	2.5
58.99590	62.0
59.75100	0.8
61.01158	4.7
61.95647	0.8
65.03956	4.2
67.05511	37.3
69.03434	2.2
69.07069	9.0
69.56410	0.9
70.73553	0.8
70.73872	1.9
81.03438	1.4
84.04509	2.2
84.08168	4.5
85.01115	1.0
85.06547	1.7
87.02711	1.0
95.04977	20.8
96.05753	26.2
97.06055	0.9
99.02666	1.6
101.04249	94.7
111.02671	13.6
112.03441	2.0
112.07629	4.9
119.57607	0.8
129.01810	3.2
129.03711	100.0
130.04117	1.2
130.08653	0.9
135.49309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34077	0.9
53.03941	1.5
55.01864	2.6
55.05513	1.4
56.72552	0.8
57.07064	2.4
58.06590	1.3
58.99593	62.5
61.01147	3.1
62.99074	1.7
63.99868	2.1
65.03947	4.6
67.05509	39.2
67.39970	0.8
67.86874	0.9
69.03427	7.6
69.07074	6.1
69.67071	5.6
71.38906	1.0
73.01138	2.1
79.05501	1.4
80.06298	1.1
81.03424	1.9
83.01334	1.2
83.04992	1.2
84.04498	4.7
84.08152	10.2
85.06544	1.2
87.02682	1.7
90.20181	0.9
95.04980	20.8
96.05762	22.2
97.02919	1.7
98.20771	1.9
99.02720	1.7
100.03466	1.1
101.04250	86.4
102.04579	1.3
111.02663	11.4
111.04464	1.4
112.03457	2.8
112.07619	16.8
112.11254	3.0
128.06230	4.1
128.83084	0.9
128.94997	0.9
129.01846	10.8
129.03712	100.0
129.07010	3.0
130.04039	2.4
130.06558	2.3
130.08644	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20299	0.2
56.96546	0.4
60.00627	0.3
70.60638	0.7
70.99868	0.2
72.58881	0.2
74.23846	0.2
82.01457	0.3
82.69365	0.2
82.99842	2.1
83.01525	0.3
83.11581	0.2
96.04502	0.2
100.02477	1.0
101.00887	26.6
101.02538	1.5
102.00972	0.7
102.02241	0.6
115.02464	0.3
115.71247	0.3
117.84570	0.2
118.03529	0.3
119.01927	100.0
120.01991	1.5
121.02370	0.5
124.02470	0.6
124.03967	0.6
133.03436	0.9
137.02965	29.8
139.03397	0.2
142.03506	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	125.06
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33981	0.3
53.03944	1.3
55.01869	1.3
55.05516	0.6
57.03443	3.3
64.95426	0.4
67.05486	0.7
69.03436	6.2
69.07076	1.6
70.43282	0.8
74.03831	0.3
75.81364	0.4
79.05055	0.6
79.05494	7.4
80.05008	0.5
81.07086	0.4
83.05003	1.1
85.02908	100.0
86.03246	1.0
91.05470	0.7
95.04976	1.0
97.01109	0.4
97.02898	4.1
97.06535	4.3
105.04522	0.7
107.04955	2.1
107.08602	0.5
108.04514	0.6
110.03671	1.5
111.73476	0.3
125.02364	4.1
125.04321	1.9
125.05994	6.9
125.09657	0.8
126.05569	0.5
128.90349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	27.8
59.06127	54.2
60.59375	24.3
68.05023	49.2
71.55194	41.4
76.77158	30.5
77.19178	29.1
86.80606	27.0
94.69215	27.8
107.43557	28.9
117.44405	32.7
126.06644	48.6
126.10289	100.0
127.03945	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69152	0.8
53.03941	2.2
55.01865	2.2
55.05503	1.1
55.93524	1.0
57.03441	0.9
57.07070	2.1
58.99591	60.0
61.01146	3.7
62.99080	14.8
63.99535	1.4
63.99864	27.0
65.03951	5.3
67.04245	0.9
67.05508	34.5
67.96080	0.8
68.47330	0.8
69.03427	3.2
69.07076	5.1
70.70245	2.3
73.01183	0.8
74.64011	0.9
77.84157	0.8
78.04710	1.0
81.03425	2.0
83.04987	1.2
84.04526	4.6
84.08162	6.8
85.01123	1.2
85.06552	1.4
87.02712	1.8
95.04975	19.9
96.05760	24.1
99.02679	2.3
101.04248	93.0
102.04585	1.5
103.39790	0.9
111.02693	11.5
112.03458	1.9
112.07623	8.2
128.06268	1.2
128.95027	1.0
129.01865	5.6
129.03711	100.0
130.04108	1.5
130.06572	1.1
130.08664	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03949	3.9
53.54338	0.6
55.01866	1.9
55.05518	8.4
57.03458	0.7
57.07083	2.2
58.99586	1.6
61.01155	17.8
65.03941	2.1
65.98312	0.5
67.05509	38.2
68.05007	0.8
69.03427	0.8
69.07076	1.8
69.45692	4.6
70.99580	1.8
72.00371	7.3
73.01147	20.9
77.03938	1.0
78.03464	1.4
79.05497	11.0
80.05021	19.5
80.06327	0.6
80.94695	2.1
81.00112	2.0
81.03408	1.1
81.07061	51.9
82.01426	0.9
89.00616	4.2
90.01405	100.0
91.01746	1.1
91.05486	2.4
93.07054	8.0
94.07817	0.6
95.04971	15.2
95.05922	0.6
95.08614	34.5
96.04501	9.0
96.08953	0.6
98.21477	1.1
100.02489	3.7
103.05476	0.6
104.98322	14.2
104.99001	1.0
105.04538	1.6
105.07053	5.1
106.02939	1.4
107.04964	1.2
107.18583	0.6
108.05746	7.9
112.03995	1.4
118.03538	1.6
119.01926	1.1
121.06566	0.7
121.10214	0.6
122.99373	4.7
123.04527	2.5
123.05561	44.9
123.08078	26.0
123.11712	12.9
124.03945	5.4
124.07558	1.1
140.03491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02365	1.1
53.03742	0.5
53.03946	6.1
55.01860	1.6
55.05263	0.6
55.05515	7.2
56.24997	0.4
57.07068	1.6
61.01147	2.4
65.03640	0.4
65.03936	2.7
65.28308	0.5
67.05509	37.7
68.05022	1.0
68.05853	0.5
68.99796	0.7
69.03419	1.9
69.07054	1.2
69.48709	2.7
72.00373	0.6
73.01137	2.7
77.03927	1.0
78.03442	2.5
79.05495	14.6
80.05021	41.0
80.06280	1.1
80.94704	5.8
81.03425	2.2
81.05373	0.7
81.07060	38.9
82.01445	1.3
82.07384	0.5
90.01410	5.2
91.05495	2.9
93.07051	8.8
94.06561	0.5
95.04975	29.8
95.08611	36.9
96.04494	16.7
96.08151	1.2
96.08927	0.6
100.02490	8.9
103.05478	1.5
104.76935	0.5
104.98322	0.9
105.03416	0.8
105.04550	2.1
105.07033	9.4
106.02934	2.7
107.04948	3.2
108.05746	21.9
112.03960	3.8
118.03529	7.2
119.01938	3.2
121.06515	3.1
121.10125	0.8
122.99385	0.8
123.04484	8.0
123.05558	100.0
123.08065	63.6
123.11694	9.2
124.03961	13.4
124.05894	1.6
124.07598	1.4
124.08418	1.2
137.02963	1.0
140.03441	1.9
141.05043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02387	0.6
53.03947	4.6
55.01871	2.0
55.05515	7.2
57.07065	1.4
58.99582	1.5
58.99860	0.6
61.01151	10.6
65.03943	2.6
66.04735	0.5
67.05506	38.6
69.03423	0.9
69.07070	1.4
69.29214	2.7
69.29640	2.0
70.99574	1.0
72.00356	4.4
73.01145	11.4
77.03931	1.2
78.03448	1.9
79.05495	19.2
80.05021	22.8
80.06274	1.9
80.94704	0.9
81.00099	0.9
81.03430	1.5
81.07059	49.4
82.01450	1.3
89.00620	2.5
90.01404	50.0
91.01759	0.8
91.05479	1.1
93.07049	6.4
94.07829	0.8
95.04358	1.1
95.04972	20.1
95.08611	46.5
96.04497	9.4
96.08949	0.7
100.02486	5.9
103.05479	2.3
104.98317	7.7
105.04521	2.3
105.07037	14.5
106.02902	1.5
107.04967	9.6
108.05746	62.1
108.51885	0.5
109.06071	0.9
112.03967	1.9
118.03487	3.6
119.01915	1.6
121.06512	11.0
122.99352	2.2
123.04493	4.6
123.05563	53.3
123.08073	100.0
123.11697	8.6
124.03085	0.4
124.03964	7.7
124.05964	0.7
124.07607	0.9
124.08430	1.9
125.06014	1.2
127.21151	0.6
133.07539	0.7
135.05562	0.5
137.02901	0.6
138.26450	0.5
140.03442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
68.56573	0.2
69.25683	0.2
69.74856	0.9
82.01437	0.3
82.99844	1.4
83.01504	0.6
97.66819	0.2
100.02502	1.4
101.00887	25.8
101.02552	2.3
102.00940	0.6
102.02233	0.6
107.57074	0.2
118.03520	0.8
119.01926	100.0
120.02016	2.7
121.02349	0.5
124.02467	0.5
133.03491	0.7
137.02965	27.6
138.03084	0.8
142.03510	5.9
143.03598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
53.03942	1.3
53.66181	0.3
55.01856	0.4
57.03438	0.9
60.62967	0.4
61.02925	0.8
68.05036	0.4
69.03423	0.8
70.40611	1.2
70.99852	0.4
73.02925	0.5
77.00921	0.6
78.03016	0.7
78.03461	11.4
78.52966	0.5
79.04271	0.4
80.05022	40.4
81.03401	0.5
82.01459	3.0
85.02920	0.6
86.52685	0.4
88.02676	1.0
95.04983	2.3
95.06093	0.6
96.04498	11.9
97.02949	0.4
100.02488	10.3
101.00880	3.7
101.02608	0.6
102.02312	0.5
105.04520	0.7
106.02926	20.3
111.02879	0.7
118.03530	5.0
119.01929	11.1
123.05559	100.0
124.03954	2.9
124.05882	1.1
131.01903	1.5
132.05016	0.4
133.03519	0.4
137.02948	2.4
142.03494	1.5
143.01910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
52.84554	0.4
53.03953	2.4
55.01882	1.4
55.05521	0.6
56.96573	1.2
57.03440	2.6
57.10116	0.4
58.99869	1.7
61.02924	1.5
67.04295	0.5
67.05515	2.5
68.05020	0.6
69.03438	1.9
70.06589	0.7
70.99856	0.4
71.28173	0.6
72.08154	0.5
73.02909	1.9
77.00926	1.2
77.03872	0.4
78.03461	8.5
78.06324	0.5
78.52972	0.7
79.05502	1.1
80.05024	42.9
81.03417	1.4
81.07069	1.7
82.01450	11.0
83.01546	0.6
84.08143	1.2
84.52954	0.6
85.02907	1.7
86.52704	0.5
88.02683	2.7
88.52801	0.4
89.00926	0.7
89.33250	0.4
90.02389	0.5
94.06581	0.5
95.04975	10.5
95.06058	0.8
95.08607	0.7
96.03889	0.9
96.04504	14.1
97.02908	1.5
98.97604	0.7
99.02817	0.5
99.26308	0.5
100.02491	58.6
101.00887	6.3
101.02556	2.2
102.02370	1.4
102.52454	0.7
103.02483	0.4
105.04543	1.3
106.02930	14.5
109.02890	0.6
111.02917	1.7
111.53087	0.5
112.03967	0.5
113.00921	0.8
114.04049	0.7
115.02453	1.7
118.03531	34.6
119.01931	23.6
119.03650	0.8
120.02036	0.9
120.04057	0.5
121.01627	0.8
123.05560	100.0
124.02522	0.8
124.03963	6.3
124.05886	0.7
131.01921	3.9
132.05009	0.6
133.03491	1.5
136.04579	0.6
137.02966	7.5
141.05095	0.6
142.03516	2.7
143.01936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01880	1.2
56.96575	5.0
57.03437	0.8
67.05503	2.8
70.06606	1.4
71.06805	1.0
71.07153	1.7
72.08160	0.8
77.03936	1.3
78.03457	3.1
79.05490	3.2
80.05024	39.4
81.07052	3.2
82.01455	7.2
84.08134	1.7
88.29374	0.8
93.08098	0.9
95.04983	15.8
95.08617	1.5
96.04498	13.9
100.01849	1.7
100.02493	30.6
100.99891	0.9
101.00893	11.4
102.96930	0.9
105.03376	1.2
105.04549	0.8
106.02931	3.6
112.03976	1.1
118.03527	13.7
119.01931	50.9
123.04549	3.9
123.05565	100.0
123.08058	3.0
124.03959	5.7
124.05946	1.2
137.02966	20.0
142.03523	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	123.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11987	0.7
53.00320	0.9
53.03951	7.1
54.61667	0.7
55.01883	3.0
55.05519	3.3
56.44741	0.7
57.07087	1.5
59.96733	1.3
61.01154	2.2
61.42793	0.7
62.99079	2.8
65.03950	2.4
67.05517	18.6
68.05053	1.3
69.07086	0.8
69.63102	5.3
70.99598	0.9
72.00378	1.3
73.01152	19.4
75.07169	0.7
77.03954	1.3
78.03474	2.3
79.05499	9.2
80.05029	42.0
80.94717	2.8
81.00127	100.0
81.03417	1.6
81.07067	41.1
82.01458	1.3
89.00645	1.3
90.01416	9.5
91.02197	6.5
93.07053	2.7
95.04984	45.4
95.08630	11.3
96.04515	16.3
99.62408	0.7
100.02492	7.9
101.00950	0.9
104.98343	1.8
105.03366	0.8
105.04549	2.8
105.07023	2.5
106.02937	3.0
108.05762	2.3
112.03959	2.3
118.03542	5.1
119.01929	3.3
123.04625	12.3
123.05563	93.6
123.08068	22.3
123.11718	6.3
124.03981	10.9
124.05930	1.1
140.03441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
52.77351	0.6
52.89223	0.5
53.03955	2.2
54.65678	0.6
55.01878	2.5
56.96563	0.9
57.03444	4.3
58.99868	2.1
61.02934	3.6
65.03951	0.6
65.08829	0.6
68.02649	0.9
68.98291	0.8
69.03439	4.0
69.85661	2.4
69.86072	1.2
70.06606	1.0
70.99863	2.3
73.02921	2.5
75.01917	1.2
77.00905	1.7
78.03461	10.1
78.52971	2.2
79.02163	1.0
80.05022	39.0
80.52735	0.7
81.01901	1.2
81.03432	2.3
81.05357	0.8
82.01450	21.5
82.01930	1.2
82.99861	0.9
83.01539	0.6
84.08135	0.7
85.02911	2.5
86.52727	0.8
87.53465	0.6
88.02678	3.5
89.00909	0.8
90.52955	1.1
92.38470	0.6
92.52702	1.3
93.01895	1.6
93.53493	1.1
95.04989	2.7
95.06064	0.8
96.02435	1.2
96.04502	12.0
97.02859	2.7
99.53494	1.0
100.02491	82.7
101.00886	12.1
101.02584	3.7
102.02375	2.7
103.81568	0.5
106.02929	17.3
109.02906	1.1
111.02967	3.5
113.00860	1.5
114.04069	0.7
115.02454	1.9
118.01183	1.5
118.03529	39.1
119.01932	35.6
120.02040	1.6
120.03404	1.0
121.01685	1.4
123.05562	100.0
124.02496	1.4
124.03967	3.6
124.05936	0.8
131.01921	5.8
132.02031	1.0
133.01698	1.3
133.03506	2.1
137.02965	7.1
141.02791	0.6
141.05153	0.9
142.03484	5.4
143.01944	1.4
143.03645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99855	1.4
68.75250	0.5
70.55936	1.4
77.00883	0.7
77.43472	0.6
82.01447	25.5
82.99829	1.1
83.01523	0.6
96.73862	0.6
98.20764	0.7
100.02485	100.0
101.00271	0.8
101.00887	10.5
101.02616	0.9
102.02949	0.5
103.47640	0.6
114.04062	0.7
118.03525	41.0
119.01925	30.2
123.04072	1.5
137.02960	8.4
141.05078	1.1
142.03506	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99855	1.4
68.75250	0.5
70.55936	1.4
77.00883	0.7
77.43472	0.6
82.01447	25.5
82.99829	1.1
83.01523	0.6
96.73862	0.6
98.20764	0.7
100.02485	100.0
101.00271	0.8
101.00887	10.5
101.02616	0.9
102.02949	0.5
103.47640	0.6
114.04062	0.7
118.03525	41.0
119.01925	30.2
123.04072	1.5
137.02960	8.4
141.05078	1.1
142.03506	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
51.90818	0.4
53.03947	2.7
55.01873	1.4
55.05513	0.4
56.96570	1.0
57.03441	2.6
58.99870	1.9
61.02929	2.3
65.52191	0.6
67.05498	1.7
68.02664	0.6
68.05027	0.7
69.01926	0.6
69.03430	3.0
70.06571	0.6
70.99845	0.6
71.24568	0.9
73.02915	1.9
77.00921	2.5
78.03460	8.1
78.52943	0.6
78.58333	0.4
79.05515	0.7
79.51921	0.9
80.05023	38.4
80.52734	0.8
81.01917	1.0
81.03423	1.7
81.07063	2.3
82.01450	12.5
82.02693	0.7
83.01601	0.5
84.08138	1.8
85.02901	1.7
85.53707	0.6
86.52686	0.7
87.01918	0.5
88.02677	1.9
88.52708	0.4
89.00906	0.6
93.01921	0.5
95.04976	11.9
95.08611	0.7
96.02453	0.6
96.04501	15.1
97.02902	1.9
98.52724	0.5
98.97582	1.0
100.02489	67.7
101.00886	9.8
101.02577	1.9
102.02350	2.0
103.02463	0.5
105.03416	0.5
105.04535	1.1
106.02932	17.1
109.02891	0.8
110.73652	0.5
111.02941	1.8
113.00873	1.2
113.58305	0.5
114.04047	1.0
115.02474	0.8
115.96767	0.5
116.98613	0.5
118.01160	1.0
118.03528	39.8
119.01929	38.8
120.02020	0.6
120.03329	1.0
121.01683	1.5
121.03526	0.6
123.05560	100.0
124.02481	1.0
124.03948	5.6
124.05897	0.9
131.01917	5.0
132.02080	0.6
133.02495	0.5
133.03477	1.3
136.04607	0.6
137.02966	13.9
141.05042	0.8
142.03497	4.9
143.01903	1.2
143.03587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.9936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
53.26887	0.3
54.88639	0.3
55.05512	0.5
57.03450	0.5
58.99592	1.6
59.96716	0.3
61.01154	19.0
63.92734	0.3
67.05508	2.4
70.99585	2.1
71.07215	0.6
71.07539	0.4
72.00359	6.3
73.01145	22.1
78.03468	0.3
79.05507	1.4
80.05020	4.2
80.94702	1.6
81.07060	4.3
89.00626	4.1
90.01403	100.0
91.01770	0.5
95.04971	3.4
95.08614	1.6
95.58273	0.3
96.04511	1.3
100.02507	0.9
104.97612	0.7
104.98324	13.8
105.07008	0.4
108.05754	1.0
118.03523	0.6
122.99362	4.3
123.04589	0.8
123.05559	11.7
123.08060	3.1
123.11730	0.6
124.03960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.9936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
53.95185	0.6
55.01873	1.4
55.05514	2.1
57.07082	1.9
58.99582	1.7
61.01157	18.0
62.89113	0.5
65.03948	1.3
67.05512	11.7
68.05035	0.5
70.99574	1.7
71.54827	0.7
72.00362	7.8
73.01151	20.6
73.19865	0.5
78.03458	1.1
78.49448	0.6
79.05495	5.6
80.05022	20.9
80.05493	1.3
80.94724	1.2
81.07065	26.2
82.01463	0.7
85.17733	0.5
89.00638	4.1
90.01405	100.0
91.01730	0.6
93.07028	1.4
95.04977	14.9
95.08614	7.0
96.04501	8.2
100.02486	4.9
104.98322	13.2
105.03378	0.6
105.04542	0.7
105.07030	1.2
106.02953	0.9
107.04974	0.7
108.05758	3.6
112.03963	1.2
118.03517	2.3
122.99380	5.5
123.04481	4.1
123.05560	52.8
123.08067	12.2
123.11703	5.3
124.03963	3.8
140.03360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.9935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01870	0.9
55.05509	3.5
57.03441	0.6
57.07080	1.1
58.99589	1.4
61.01152	19.3
63.11789	0.3
65.03940	0.9
65.47318	0.4
67.05502	14.4
68.05020	0.5
69.07065	0.6
70.04825	1.6
70.99573	2.5
72.00363	7.4
73.01142	21.6
78.03452	0.6
79.05494	4.9
80.05019	9.1
80.94704	6.2
81.00111	1.5
81.07056	23.3
89.00620	3.5
90.01399	100.0
91.01738	0.5
91.05455	0.9
93.07044	2.7
95.04965	7.0
95.08607	13.0
96.04491	2.9
97.19392	0.4
100.02506	2.5
100.03030	0.4
101.30208	0.4
104.98321	13.4
105.04559	0.6
105.07025	1.7
106.02888	0.5
107.04935	0.6
108.05732	3.1
108.09386	0.4
112.03969	0.5
115.05972	0.3
118.03498	1.0
122.99355	4.7
123.04524	1.5
123.05555	21.3
123.08062	12.4
123.11705	4.6
124.03931	1.7
124.07564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.9935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01838	0.5
55.05520	3.0
57.03445	0.7
57.07077	1.2
58.99590	1.9
61.01151	18.4
65.03927	0.6
67.05508	11.2
69.07080	0.7
69.19514	0.4
70.99572	2.3
71.34875	0.6
72.00360	7.7
73.01143	21.0
78.03474	0.6
79.05495	6.2
80.05016	9.3
80.94675	1.2
81.03419	0.5
81.07059	32.0
87.55354	0.4
89.00605	3.7
90.01399	100.0
91.01766	0.6
93.07044	1.8
95.04977	7.1
95.08611	6.3
96.04472	2.9
100.02494	1.8
104.98320	15.1
105.04503	0.6
105.07039	0.6
106.02917	0.5
108.05750	1.5
111.07849	0.5
118.03555	0.8
122.99337	3.9
123.04474	1.7
123.05552	23.5
123.08058	10.8
123.11706	5.0
124.03947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01601	0.7
51.02380	1.6
51.89470	0.7
52.07946	0.6
53.03702	1.4
53.03948	23.3
55.01863	2.9
55.05500	2.6
55.58972	0.7
58.99575	1.9
65.03928	2.6
67.05543	0.9
68.99772	0.8
70.67846	1.5
70.68217	1.4
70.87230	0.6
73.01138	2.5
77.03933	5.2
77.33727	0.6
78.04711	1.0
78.96792	1.2
79.05492	40.8
80.05846	0.9
81.03422	2.7
81.07052	1.8
86.99055	2.3
91.05482	62.1
93.07044	61.6
94.07407	0.9
95.04972	31.0
102.04691	1.4
103.05471	61.6
104.05785	2.0
105.04531	11.1
105.07032	100.0
106.07858	7.7
117.91699	0.6
119.08583	16.7
120.05721	1.3
120.55672	0.7
121.02882	1.1
121.06511	88.5
121.10144	54.5
122.06844	1.8
123.08062	10.6
133.07620	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02382	1.9
53.03947	14.2
53.40588	1.2
55.05513	12.8
65.03944	9.1
67.05167	2.7
67.05508	38.2
67.87183	1.4
71.55058	1.3
71.69071	1.2
73.01147	4.5
77.03913	1.4
77.51955	1.2
78.96777	1.5
79.05499	89.6
81.03429	2.4
81.07092	1.7
91.05485	37.9
93.04541	2.5
93.07054	100.0
94.06568	1.8
94.07404	1.5
95.04981	16.6
96.63050	1.2
103.05481	18.5
105.04538	7.1
105.06384	2.1
105.07038	26.2
106.07848	2.9
111.04497	1.5
116.42799	1.3
119.08598	4.8
121.02860	7.7
121.04001	5.1
121.06538	19.8
121.07436	2.0
121.08443	1.5
121.10157	44.7
122.06076	1.9
122.09672	3.3
123.08100	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	122.9936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34282	0.4
53.03950	2.6
53.44150	0.5
55.01857	0.7
55.05511	1.2
58.99585	3.7
61.00836	0.9
61.01151	19.4
64.53944	0.6
65.03949	0.9
67.05506	7.1
68.05033	0.7
70.74523	0.5
70.99583	1.9
71.16960	1.0
72.00365	7.8
73.01144	20.9
75.00708	0.6
78.03454	1.9
79.05485	4.0
80.05019	36.8
80.94698	1.6
80.96348	1.5
81.03414	0.7
81.07060	14.7
82.01441	1.0
82.89504	0.5
89.00617	4.5
90.01401	100.0
91.01748	0.5
93.07047	1.1
95.04974	12.5
95.06076	0.5
95.08611	4.4
96.04496	13.2
100.02488	7.3
104.98323	13.5
105.00110	0.5
105.03422	0.5
105.04530	1.2
105.07088	0.5
106.02919	2.6
106.03589	0.5
108.05721	0.8
111.05468	0.6
112.03965	2.0
118.03529	4.8
122.93891	0.7
122.99350	4.6
123.05554	86.8
123.08042	8.9
123.09157	1.1
123.11703	2.2
124.03954	7.6
140.03456	1.0
143.13272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01630	1.1
50.76693	1.0
51.02374	1.8
53.03710	1.3
53.03954	14.2
55.01863	2.6
55.05515	10.1
58.99566	1.2
65.03951	8.0
67.05509	31.0
71.34458	1.5
73.00779	1.6
73.01149	17.8
77.03947	1.0
78.47371	1.1
78.96783	8.1
79.05498	79.5
81.03418	1.5
86.99024	1.6
88.03472	4.1
88.81121	1.1
91.05489	42.6
92.05785	1.6
93.04534	2.7
93.07051	100.0
94.06566	1.3
94.07371	1.8
95.04973	22.1
103.05477	29.0
104.05773	2.6
105.04511	5.9
105.07040	30.7
106.07834	1.7
111.04407	1.4
119.08600	6.1
121.02943	8.9
121.03967	7.4
121.05667	1.5
121.06519	27.9
121.07459	1.0
121.08410	1.3
121.10151	41.1
121.77953	1.1
122.06063	2.2
122.06906	1.0
122.09647	2.4
123.08078	3.8
133.07591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.6
53.03742	1.3
53.03950	14.1
55.01865	2.7
55.05516	11.8
58.99586	1.2
65.03938	10.6
67.05181	2.6
67.05510	40.6
69.91615	6.9
73.01129	4.8
73.51256	1.1
77.03917	3.0
78.96790	3.0
79.05498	85.1
80.05809	2.0
80.06257	1.8
81.03408	2.2
81.07035	2.0
87.00695	1.5
91.05486	41.0
93.07050	100.0
93.52784	1.2
94.06561	2.1
94.07352	1.4
95.04974	22.8
103.05474	24.8
105.04510	5.6
105.07038	38.7
106.07826	2.7
111.04478	1.7
116.71844	1.6
119.08631	6.5
120.99471	1.6
121.02861	9.7
121.03964	5.0
121.06524	22.9
121.08384	1.7
121.10143	49.8
122.06014	5.8
122.09694	1.7
123.08084	3.6
133.07614	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02367	1.7
53.03741	1.2
53.03950	14.1
55.05501	5.3
65.03933	1.9
67.05502	1.6
69.84567	6.0
77.03931	1.9
79.05495	65.5
81.03434	1.2
81.07056	3.8
91.05486	55.1
92.05772	1.4
93.07050	100.0
94.07370	2.0
95.04974	19.3
103.05476	20.5
105.04529	4.7
105.07034	94.1
106.07863	10.4
108.48919	1.4
119.08584	13.8
121.06519	8.1
121.10147	84.5
123.08083	9.6
125.77698	1.4
133.07619	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.2
53.03955	16.1
55.05521	10.4
65.03954	11.7
67.05168	2.3
67.05510	32.7
71.54823	1.6
73.01138	5.3
77.03925	2.0
78.08083	1.4
78.96767	2.4
79.05498	83.7
80.05818	1.9
81.03409	2.0
81.07055	3.5
86.35333	1.6
91.05492	44.4
92.05788	1.8
93.04522	5.0
93.07052	100.0
94.07366	2.0
95.04977	25.7
103.05474	34.9
104.05782	1.9
105.04508	7.0
105.07039	31.3
106.07845	3.2
107.19186	1.4
111.04434	2.4
119.08589	4.6
119.14279	1.5
119.20602	1.4
121.02895	12.4
121.04044	8.3
121.06519	36.1
121.08418	2.3
121.10150	42.6
121.11023	2.1
122.05992	3.0
122.09711	3.4
123.08043	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01605	0.5
51.02375	2.2
53.03950	20.8
55.01881	3.2
55.05503	1.2
58.83626	0.4
58.99591	3.0
65.03934	4.3
65.16423	0.5
67.05509	1.9
71.55235	0.5
73.01142	3.8
77.02274	0.5
77.03920	3.3
78.04723	1.2
78.96780	2.9
79.03946	0.6
79.05501	11.6
81.03433	2.8
81.07051	0.5
86.99073	2.6
91.05486	68.2
92.05814	1.2
92.98337	1.0
93.03391	0.5
93.07049	67.4
94.04182	0.8
94.06569	0.8
94.07384	0.5
95.04974	34.7
96.05312	0.6
98.27706	0.5
102.04700	1.4
103.05474	79.4
104.05808	2.6
105.04525	10.4
105.07031	16.5
106.07822	1.2
107.04955	0.7
111.04441	1.0
118.06555	0.7
119.04980	0.6
119.08572	3.3
120.99469	0.7
121.01498	0.7
121.02889	4.3
121.06512	100.0
121.10146	10.1
122.06093	0.8
122.06890	1.4
123.08075	1.7
133.07585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02385	2.2
51.06497	0.4
53.03953	28.9
55.01875	2.8
55.05509	1.0
58.29003	0.5
58.99586	6.9
65.03960	4.1
66.04773	0.4
66.55010	0.5
67.05533	0.7
70.88962	1.0
70.89327	1.0
73.01142	5.4
77.03934	4.1
78.04728	0.8
78.96790	3.5
79.05499	6.5
81.03426	3.4
81.07058	0.4
86.99056	10.4
87.00739	0.8
87.99832	0.7
91.05487	77.1
92.05846	0.9
92.98334	1.1
93.07051	69.9
94.04198	0.7
94.07377	1.0
95.04975	38.1
102.04688	1.9
102.96765	1.4
103.05477	100.0
104.05811	2.0
105.04518	12.7
105.05223	0.9
105.07037	8.5
111.04495	0.8
117.12447	0.5
119.04951	0.6
119.08609	1.5
120.97769	1.0
120.99454	0.6
121.02919	3.6
121.04050	1.6
121.06515	95.6
121.08401	2.1
121.10124	5.6
122.05983	0.8
122.06850	1.6
123.08088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	3.0
53.03704	1.4
53.03950	24.1
55.01872	2.7
55.05496	1.9
58.99575	3.6
65.03940	7.5
67.05505	1.8
73.01146	19.0
75.02720	1.2
77.03905	3.0
78.04727	1.1
78.96794	8.4
79.05499	37.1
81.03410	4.3
85.01144	1.6
86.99061	3.4
91.05486	65.1
92.05819	1.1
93.04475	1.1
93.07050	60.2
94.06617	2.3
94.07365	1.1
95.04366	1.6
95.04973	35.5
103.05475	81.2
104.05789	2.4
105.04536	10.5
105.07034	100.0
106.07882	6.2
111.92510	0.9
119.08576	14.8
120.99440	1.4
121.02911	7.1
121.04066	5.6
121.06516	83.1
121.08331	1.7
121.10147	54.3
122.06021	2.3
122.06834	1.4
123.08074	10.2
133.07640	6.1
134.21040	0.9
138.06738	1.1
138.29625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01589	0.5
51.02390	3.2
53.03952	24.7
55.01877	2.7
55.05519	0.7
58.99582	1.5
65.03943	4.4
66.04720	0.8
67.05519	0.8
70.01024	2.2
73.01143	1.5
77.02272	0.6
77.03933	4.7
78.04714	0.9
78.96801	0.9
79.05499	4.0
79.42296	0.4
81.03422	3.1
81.07067	0.4
86.99046	0.9
91.05490	77.0
92.05827	1.1
93.04537	1.0
93.07053	65.8
94.04205	1.7
94.07379	1.3
95.04977	39.6
96.05306	0.5
102.04688	2.3
102.96746	0.4
103.05477	100.0
104.05807	1.8
105.04521	12.6
105.07033	5.0
111.04447	0.8
118.06570	0.9
119.08575	0.8
121.02909	4.2
121.04033	1.8
121.06517	96.5
121.10130	2.9
122.06006	0.9
122.06831	1.4
123.08112	0.5
133.07579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01598	0.7
51.02378	3.5
53.03950	32.6
53.85469	0.5
55.01874	4.5
55.05513	1.7
57.33361	0.5
58.99591	0.9
60.43258	0.5
61.01154	3.3
65.03941	7.9
66.04277	1.8
67.05508	2.4
68.99815	0.6
69.38586	2.1
69.39007	2.4
77.03930	5.1
78.04701	0.8
79.05056	1.1
79.05499	15.2
81.03432	3.7
81.07055	0.6
86.99075	0.6
89.00626	1.5
91.05486	91.7
92.04987	0.6
92.05811	1.8
93.03387	0.7
93.05396	3.8
93.07048	87.4
94.04187	0.7
94.06589	0.9
94.07352	1.3
95.04974	50.4
102.04701	1.9
103.05473	100.0
104.05782	3.0
105.03410	1.3
105.04522	14.5
105.07037	24.0
106.07808	2.4
111.04489	0.9
119.08619	4.0
121.02876	7.3
121.04025	2.2
121.04790	2.6
121.06512	99.1
121.08290	2.7
121.10142	13.2
122.06069	1.1
122.06902	1.4
123.08090	2.6
133.07629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01598	0.6
51.02381	2.1
53.03953	24.1
54.04303	0.3
55.01880	3.2
58.99584	1.0
61.16362	0.3
65.03940	2.5
70.34229	1.1
70.34571	0.3
72.85670	0.3
73.01151	0.9
77.03925	4.3
78.04721	0.5
78.96762	0.6
79.05496	2.3
80.93654	0.3
81.03422	3.3
84.03880	0.3
86.99048	0.6
91.05489	76.4
92.05808	0.8
93.03411	0.4
93.07052	64.5
94.04156	0.7
94.07382	1.2
95.04977	37.8
102.04694	2.0
103.05476	100.0
104.05809	1.1
105.03833	0.7
105.04522	11.3
105.07020	2.2
105.45046	0.4
106.07853	0.5
111.04459	0.5
118.06531	0.7
119.04955	0.6
121.02868	1.4
121.06515	96.9
121.10134	1.2
122.06859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01609	0.8
51.02375	2.4
53.03952	26.4
55.01876	3.0
65.03939	1.2
69.75376	2.1
69.75797	0.8
77.03931	6.6
78.04729	0.6
79.05496	0.8
81.03439	2.6
91.05487	68.5
92.05824	1.1
92.49986	0.5
93.07050	60.9
94.07396	0.6
95.04976	37.3
102.04684	2.6
103.05476	100.0
104.05791	1.5
105.04522	12.2
118.06499	0.6
118.17581	0.5
119.04975	0.8
121.06513	96.4
122.06823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01592	0.8
51.02380	2.9
53.03955	28.1
55.01876	3.5
58.99590	1.6
62.01608	0.5
65.03947	3.6
68.03365	0.5
70.60859	1.1
70.61205	1.4
70.67651	0.5
72.00377	0.7
73.01147	5.5
75.52651	0.5
77.03933	4.7
78.04727	1.1
78.96780	3.4
79.05502	1.9
81.03429	2.6
83.31127	0.6
86.99073	3.0
91.05491	71.9
93.07056	61.8
94.07373	1.0
95.04977	36.3
102.04698	2.1
102.96812	0.9
103.05480	100.0
104.05793	1.7
105.04525	12.1
105.07054	1.9
111.98042	0.6
118.06645	0.6
121.02918	1.6
121.06522	95.1
122.06831	1.2
127.87469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01595	0.8
51.02376	2.6
51.28539	0.5
53.03951	24.7
55.01865	2.6
55.05511	1.8
58.99593	4.1
59.96722	0.8
61.22204	0.5
63.51484	0.5
63.94450	1.0
65.03942	7.5
67.05495	1.8
71.55574	0.8
73.01146	36.5
75.00720	1.1
75.02708	1.3
77.02271	0.6
77.03922	4.1
78.04699	0.7
78.96782	19.2
79.05505	6.3
81.03399	3.0
85.01133	2.7
86.01952	0.7
86.99057	3.6
87.00713	2.3
88.03477	0.6
91.05487	77.4
92.05807	1.0
92.98335	6.9
93.03440	0.7
93.07050	69.9
94.04198	0.6
94.07379	1.3
95.04973	40.1
102.04699	2.4
103.05476	100.0
104.05174	0.6
104.05813	1.7
105.04514	13.3
105.07037	7.8
105.99077	1.3
111.04415	1.7
118.06537	0.7
119.08588	1.0
120.99483	2.9
121.01452	7.5
121.02877	7.6
121.04124	2.5
121.06514	100.0
121.08401	2.1
121.10135	5.2
122.06010	0.9
122.06829	1.1
123.08043	0.7
133.07591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.2
55.01871	2.1
55.05508	1.5
56.64258	1.1
58.99596	5.7
59.96735	5.5
61.01160	100.0
62.01470	1.3
65.03955	8.3
67.05513	1.5
69.36156	1.1
70.84422	1.4
70.84756	2.7
70.99586	6.4
72.00372	12.4
72.60902	1.1
73.01146	4.8
77.02277	1.6
77.03943	2.1
78.04725	1.3
79.05504	15.7
86.99069	2.5
89.00630	50.9
90.01404	8.7
91.05490	32.7
92.05822	1.4
93.07052	35.8
93.47960	1.1
95.04976	16.0
102.04688	1.8
103.05482	35.3
104.05820	3.6
105.04537	5.8
105.07037	23.0
106.07842	2.9
119.08596	3.6
120.99451	1.2
121.03016	10.3
121.04041	2.6
121.06532	33.1
121.08439	4.6
121.10148	15.6
123.08055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.0
51.02389	3.3
53.03951	25.5
55.01875	3.6
55.05511	2.4
57.98802	2.2
58.99591	30.5
59.96729	0.8
60.99180	0.8
65.03947	6.6
67.01156	0.6
67.05504	1.3
69.85268	2.4
70.99605	1.2
72.00356	3.1
73.01147	9.7
75.00732	1.1
75.02721	1.0
77.02276	1.0
77.03913	3.8
78.04721	1.0
78.96787	7.2
79.05493	9.3
81.03439	2.8
85.01134	3.4
85.52811	0.6
85.78696	0.6
86.99059	49.6
87.00712	3.5
87.99833	1.2
91.05486	78.3
91.35340	0.5
92.05821	1.4
92.98339	3.7
93.07048	68.9
94.07361	0.9
95.04974	39.5
100.02164	0.7
102.04688	1.9
102.96755	6.7
103.05474	100.0
104.05775	2.8
105.04522	13.5
105.07032	11.3
106.07825	1.7
111.04481	0.9
119.04948	0.7
119.08591	2.0
120.97845	4.4
120.99456	3.5
121.01498	0.6
121.02885	6.5
121.04030	1.9
121.06515	98.3
121.10149	7.9
122.06046	0.8
122.06866	1.3
123.08069	1.0
133.07559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.9779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
53.03948	12.6
55.01871	2.1
55.05518	1.1
57.98804	2.9
58.99590	45.4
59.96738	0.8
60.00356	0.6
63.01530	0.5
65.03947	5.1
70.99577	2.3
71.55727	0.6
72.00356	7.3
72.23888	0.5
73.01147	13.1
77.00616	0.5
77.02287	0.8
77.03930	1.8
78.96776	4.1
79.05502	4.8
79.22282	0.5
80.94715	1.8
81.03408	1.4
85.01140	1.6
86.99058	100.0
87.00717	1.4
87.99844	2.2
91.05486	36.3
92.05854	0.6
92.98333	5.2
93.07047	34.2
95.04973	18.8
95.05447	0.4
102.04689	0.8
102.96756	14.3
103.05473	44.3
103.97552	1.2
104.05847	0.8
105.04529	5.3
105.07036	6.6
106.07840	0.8
111.04448	0.6
119.08607	0.9
120.97805	10.2
120.99471	1.6
121.02874	5.5
121.03976	2.0
121.06516	45.2
121.10130	3.6
122.06062	1.1
123.08104	1.1
133.07620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0143
Annotation	Methyl allyl disulfide
Peak:m/z	Relative Intensity
53.03954	2.5
58.78939	0.5
59.96731	1.7
61.42971	0.5
63.94447	3.4
65.03940	1.1
69.25929	1.1
69.26345	3.9
73.01148	100.0
75.00703	0.4
78.96784	55.9
79.05505	1.5
91.05495	6.6
92.98331	11.1
93.07049	6.2
95.04986	3.3
101.71051	0.5
103.05480	7.5
104.05859	0.5
105.04504	0.8
105.07032	3.7
105.46290	0.6
105.99094	2.8
121.01434	14.2
121.02833	0.8
121.06508	8.0
121.10166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0142
Annotation	Methyl allyl disulfide
Peak:m/z	Relative Intensity
53.03945	4.2
55.01868	1.0
55.05502	1.5
55.86117	0.6
58.99597	5.6
59.96722	2.4
63.94453	3.4
65.03938	4.6
67.05493	0.9
69.91551	3.9
73.01145	100.0
75.00730	2.1
75.02702	1.1
77.02297	1.1
78.96781	51.9
79.05493	6.4
85.01141	2.0
86.99059	6.4
87.00719	1.6
89.94344	0.7
91.05492	10.6
92.98338	15.8
93.07049	14.2
95.04961	4.8
98.20858	1.0
98.22736	0.7
102.96716	1.5
103.05471	11.5
104.05832	1.0
105.04539	1.8
105.07040	8.1
105.97134	1.4
105.99116	2.5
111.04496	0.8
119.08598	1.0
120.99479	3.1
121.01441	17.8
121.02796	4.4
121.03996	2.1
121.05167	0.7
121.06530	12.6
121.08469	1.4
121.10145	4.2
122.06023	1.1
123.08123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26095	0.5
53.03942	2.8
55.05517	0.8
58.99594	1.4
60.55127	0.5
61.25029	0.5
65.03938	4.6
67.05502	0.6
69.62572	3.5
70.99573	1.2
72.00371	2.0
73.01141	6.4
75.02711	5.9
77.03929	0.7
78.04726	1.1
78.96787	1.4
79.05498	6.3
85.01131	3.4
86.01938	0.6
86.16949	0.6
91.05486	100.0
92.05824	1.3
93.07048	5.7
95.04990	3.1
96.05326	0.8
102.96737	0.9
103.05474	13.4
103.97539	4.7
104.06255	11.1
105.04510	1.3
109.06525	1.2
115.05476	6.6
117.07027	33.8
118.97922	3.1
118.99879	4.9
119.04955	2.0
119.06094	1.6
119.06834	1.7
119.08586	80.2
120.05608	0.7
120.08105	1.4
120.08870	1.0
121.06483	0.7
133.94107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02383	0.9
53.03946	2.5
55.05522	1.6
58.99581	1.8
64.47369	0.7
65.03951	4.5
67.05507	0.9
70.00003	3.2
70.00369	1.3
70.99595	0.9
73.01143	2.4
74.09997	0.7
75.02712	3.4
78.96815	1.0
79.05486	7.7
85.01134	7.4
86.01920	1.5
90.45697	0.7
91.05484	100.0
92.05814	1.8
93.07062	6.8
95.04975	4.2
98.20837	1.5
103.05475	15.3
103.97511	1.1
104.06258	11.8
105.04574	1.3
109.06503	1.4
115.05478	6.2
117.07023	37.6
118.97890	2.4
118.99879	3.1
119.08587	96.0
120.08105	0.9
121.06520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02390	0.5
53.03956	2.1
54.04277	0.7
55.01867	0.5
55.05502	0.5
58.99592	0.5
60.93146	0.3
65.03948	5.5
67.05515	0.7
67.46645	0.3
70.99614	0.4
71.55125	0.4
73.01158	2.1
73.02947	0.8
73.08495	0.4
74.99053	0.4
75.02718	4.0
76.93397	0.4
77.00629	0.8
77.93403	1.1
78.04723	1.0
78.93112	0.9
78.96790	0.5
79.05499	6.4
81.03416	0.5
85.01123	2.4
86.01940	0.4
89.03952	0.4
91.05488	100.0
92.04998	1.1
92.05807	1.7
93.07053	5.5
94.94392	0.3
95.04970	2.9
96.05325	1.0
96.38319	0.3
103.05479	13.4
103.97552	0.6
104.05607	0.7
104.06257	9.4
105.04510	1.3
109.06527	1.1
112.90272	0.4
115.05463	4.0
117.07033	16.4
118.06600	0.4
118.07339	0.5
118.97896	4.5
118.99883	2.6
119.04966	4.2
119.06068	2.8
119.06861	2.3
119.08588	75.1
120.04417	0.7
120.05646	0.7
120.08121	5.9
120.08907	0.7
131.06056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
54.04709	0.6
55.05519	29.3
55.28949	0.6
58.99594	14.3
59.96738	2.6
61.01150	0.6
65.03953	0.8
70.41164	0.6
70.94585	0.7
70.94925	1.4
70.99596	3.8
72.00384	1.0
73.01154	24.5
73.02943	0.7
75.02713	22.5
78.96784	7.4
79.05504	1.4
84.00390	0.5
85.01141	100.0
86.01445	0.8
86.01923	14.0
90.04787	0.6
91.05495	25.5
103.05478	1.9
103.97537	3.4
104.06251	1.0
109.06507	0.9
116.98263	0.8
117.07029	2.6
117.94524	0.7
118.97913	23.9
118.99878	46.8
119.04959	2.7
119.06071	2.5
119.06834	1.0
119.08594	8.3
125.17919	0.5
127.36822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01879	2.6
55.26126	2.0
56.96563	4.4
58.99865	3.8
59.06103	2.4
59.52181	3.0
61.84553	1.9
64.97269	2.4
65.03940	2.6
65.52180	2.2
67.05508	13.7
69.03436	69.7
71.02985	8.1
71.18904	5.6
76.93370	2.5
77.00915	2.9
77.93399	6.7
78.52959	11.0
78.93111	4.2
79.05498	3.7
80.02943	4.0
80.03522	2.2
80.06260	4.6
81.07042	1.9
82.01450	24.2
83.01521	3.5
85.01427	2.3
85.53709	3.7
87.53482	10.7
88.03580	2.7
89.51585	2.6
91.05490	76.8
93.07045	7.9
93.36755	1.8
93.53468	10.8
95.04970	2.3
100.02493	97.9
101.00887	20.9
101.02576	6.3
102.02239	3.2
103.02436	13.3
104.02532	2.4
107.05291	14.9
107.53197	6.6
115.02474	4.4
116.05821	12.9
116.53736	7.4
117.07021	2.6
118.03529	48.9
119.01930	100.0
119.03612	7.1
119.04969	3.3
119.06078	7.4
119.08597	11.7
121.03498	10.6
126.03987	3.9
129.03995	6.2
129.90248	2.0
131.01924	2.8
133.03448	10.7
137.02975	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
54.04277	0.7
55.01872	0.5
55.05516	25.8
58.99594	12.8
59.96728	2.2
61.01144	0.5
65.03945	1.3
70.80116	0.8
70.80437	0.7
70.99583	4.3
72.00372	1.2
73.01150	14.0
75.02711	20.0
77.42321	0.4
78.96788	7.4
85.01136	100.0
86.01490	0.7
86.01918	14.3
91.05489	20.0
103.05476	1.0
103.97517	1.7
104.06277	0.8
115.05502	0.5
116.98251	0.7
117.07018	1.8
118.97903	19.2
118.99873	41.7
119.04987	1.1
119.06087	1.9
119.06897	0.9
119.08596	6.1
120.05571	0.5
128.24626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
53.04166	0.7
53.47624	0.7
54.04271	1.5
55.05513	11.7
58.99588	14.8
59.96735	4.3
61.01141	0.6
61.76331	1.0
63.94421	0.7
65.03941	6.3
68.96857	0.8
69.48270	3.2
69.48689	2.5
70.99583	9.5
72.00359	11.1
73.01144	75.1
73.80991	0.8
75.02706	46.5
77.00612	1.3
77.03918	1.0
77.93393	0.8
78.93114	0.9
78.96777	16.2
79.05505	7.2
81.53976	0.7
85.01131	53.5
86.01909	4.5
90.90701	0.8
91.05483	100.0
92.04983	0.8
93.07047	4.8
95.04971	3.6
96.05302	1.3
98.20781	1.7
101.98472	0.7
102.96740	7.4
103.05481	9.4
103.97539	34.9
104.06252	10.2
105.04507	1.1
109.06519	1.9
115.05463	4.9
117.07020	16.9
118.97919	9.2
118.99869	47.8
119.04936	5.9
119.06063	3.5
119.06850	2.8
119.08582	77.0
120.05593	0.7
120.08098	3.5
128.98026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05309	0.8
55.05521	8.5
58.99587	10.5
59.54133	0.7
59.96738	4.9
61.01139	1.7
63.94449	1.1
65.03932	2.6
69.26417	2.5
69.26833	4.8
70.99197	1.4
70.99586	23.5
71.99970	1.5
72.00366	26.8
72.33615	0.7
73.01148	100.0
75.02711	82.7
77.00621	1.4
78.96785	29.7
78.97240	1.6
79.05484	2.4
85.01134	31.3
86.01937	4.2
91.05488	46.0
93.07076	0.7
95.04971	0.8
96.05292	1.2
102.96765	18.9
103.05467	3.1
103.97541	83.2
104.06257	2.3
109.06519	1.6
115.05447	1.1
117.07027	4.8
118.84786	0.9
118.97897	17.4
118.99870	55.9
119.04947	3.8
119.06075	4.0
119.06871	1.9
119.08591	15.8
120.05548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
51.88855	0.3
53.03951	0.8
55.01870	0.5
55.05516	18.3
55.36968	0.4
57.05830	0.9
58.06604	8.9
59.05015	0.5
59.07389	9.5
64.59990	0.4
69.86438	0.8
69.86848	1.1
70.06604	0.6
72.08161	100.0
73.01162	0.4
73.02919	1.3
73.08485	0.9
74.99072	1.3
77.00640	1.8
85.39400	0.3
91.05495	0.5
98.20842	0.5
98.25591	0.4
116.05148	0.3
118.08662	27.9
119.01583	0.5
124.17045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18986	0.3
53.03947	1.7
54.04713	0.6
55.05514	27.1
58.99588	13.3
59.96724	2.5
61.01149	0.4
65.03938	0.8
70.50276	1.1
70.99581	4.6
72.00347	1.8
73.01143	18.1
75.02707	20.8
78.96779	8.1
79.05526	0.5
85.01131	100.0
86.01499	0.6
86.01912	13.8
88.14597	0.3
91.05484	13.8
95.04945	0.4
96.04461	0.4
102.96747	1.3
103.05456	0.4
103.97542	4.2
104.06238	0.4
116.98325	0.7
117.07065	0.6
118.97897	21.4
118.99866	45.0
119.04942	1.2
119.06067	1.3
119.06837	0.7
119.08569	3.2
120.00208	0.6
120.08026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
53.07949	0.7
55.05518	27.7
58.99590	15.3
59.96732	2.6
65.03949	5.0
67.08556	0.7
70.99586	5.4
72.00364	2.7
73.01147	23.5
73.02914	1.1
75.02708	26.8
77.00575	1.0
78.96775	8.7
79.05496	4.6
85.01134	100.0
86.01421	1.2
86.01917	14.5
86.02428	0.8
89.79367	0.7
91.05486	85.3
92.05011	1.0
93.07049	2.9
95.04991	1.8
96.05290	1.1
102.96783	1.3
103.05472	7.0
103.97547	7.7
104.06257	4.9
104.64834	0.7
109.06554	1.6
115.05464	3.4
116.98328	1.3
117.07019	11.7
118.97900	19.5
118.99873	47.5
119.04954	8.3
119.06098	2.8
119.06856	2.2
119.08587	42.2
120.05605	0.7
120.08142	1.8
124.63078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.32835	1.3
50.59515	1.6
51.02390	7.8
51.23528	1.4
53.03949	72.1
55.01873	4.1
55.05515	1.6
59.07364	1.6
59.51291	1.8
70.93285	3.4
72.08154	11.3
75.65657	1.5
76.93377	5.8
77.03922	10.5
81.03429	6.0
85.01140	2.5
90.99512	1.4
91.05482	19.5
92.05824	3.6
94.94395	2.2
95.04972	89.5
104.30599	1.9
105.04523	29.4
116.05786	5.7
116.98312	6.9
117.07032	4.6
118.06554	100.0
118.07348	9.1
118.08672	4.2
118.97948	2.4
118.99876	2.1
119.08576	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.5
51.02384	6.6
53.03951	66.0
55.01865	3.0
55.05508	1.8
56.95895	1.2
58.06584	2.1
58.99581	1.0
66.30321	1.1
70.42954	1.9
70.99567	1.0
72.08161	7.7
76.93369	2.9
77.03939	12.2
79.05520	1.0
81.03429	7.5
85.01134	2.2
91.05490	23.2
91.06068	1.1
92.05829	2.0
95.04975	85.5
103.05510	1.6
105.04520	28.9
115.05412	1.1
116.05798	7.1
116.98312	40.3
117.07027	2.8
117.99175	14.1
118.06556	100.0
118.07330	7.3
118.97897	2.0
118.99905	1.0
119.06946	1.1
119.08585	7.7
132.14378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01597	1.8
51.02383	7.1
51.89334	1.1
53.03952	71.3
55.01865	2.6
59.07401	1.4
70.94266	2.1
72.08170	7.5
75.02708	1.7
76.93378	2.0
77.03930	12.1
79.05495	1.5
81.03419	6.2
91.05486	19.9
92.05831	2.9
95.04978	89.4
103.05460	2.0
105.04527	26.4
116.05790	5.4
116.98318	4.9
117.07026	4.3
117.98642	2.0
118.06561	100.0
118.07343	8.8
118.97912	1.6
119.06894	1.5
119.08577	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	116.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.92139	0.1
58.99590	2.1
59.96720	0.3
66.52042	0.1
69.03429	0.3
70.10960	0.5
70.99583	0.4
71.01376	0.2
71.06934	0.2
72.04513	0.2
72.08136	0.2
73.01145	2.1
74.93861	0.1
75.93630	0.2
76.93375	0.7
84.00353	2.0
89.03925	0.3
91.05488	0.4
93.94666	0.1
94.94485	0.1
95.04984	0.3
97.60905	0.1
115.05475	0.8
116.98312	100.0
117.07001	1.1
117.59458	0.1
117.98626	0.6
118.06541	0.5
119.92609	0.1
121.42168	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
53.03946	2.1
55.05521	3.5
56.96562	0.8
58.06606	3.2
58.95629	0.5
59.07379	1.5
59.93121	2.6
61.01160	0.8
65.03952	1.1
69.94196	3.1
72.08161	18.7
73.01134	0.5
76.93375	25.4
77.03927	0.8
78.86086	0.5
88.06576	0.9
91.05488	46.5
94.94415	8.9
95.04983	2.2
105.04507	0.8
112.95462	0.9
117.05780	5.0
117.96010	3.6
117.98704	0.8
118.06552	100.0
118.08649	6.1
118.96789	1.2
119.06078	1.1
119.06879	1.3
119.08575	1.1
135.97021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02377	10.0
52.40781	2.5
53.03710	3.8
53.03951	76.1
55.01862	3.1
64.01497	2.5
70.73901	5.4
72.08163	5.6
73.01143	2.5
76.93375	5.5
77.03947	13.9
81.03419	7.0
81.67611	2.4
84.97297	2.3
85.01125	5.2
91.05497	4.1
95.04976	98.2
99.71476	2.5
105.04534	24.8
110.76115	2.4
116.98311	17.7
117.99156	4.9
118.06548	100.0
118.97881	6.1
118.99888	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	116.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
54.81287	0.2
55.72557	0.2
58.99588	1.9
63.02365	0.3
63.72989	0.2
69.46616	0.6
69.47041	0.6
69.85822	0.2
70.99572	0.3
71.06913	0.2
72.08155	0.3
73.01137	1.7
74.93787	0.2
76.93369	0.7
84.00350	1.9
89.03920	1.1
91.05495	0.5
91.91818	0.2
98.20737	0.2
115.05473	0.7
116.98306	100.0
117.05778	0.2
117.06982	0.9
117.98612	0.6
118.06544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
58.99588	2.2
59.96719	0.3
60.99163	0.1
69.03432	0.2
69.99326	0.4
70.99578	0.2
71.06929	0.2
72.08145	0.1
73.01148	2.2
76.93369	0.4
79.05504	0.1
81.07075	0.2
81.60321	0.1
84.00352	2.3
89.03911	0.6
89.40744	0.1
91.05472	0.3
94.94456	0.1
95.05000	0.2
98.20886	0.1
110.57420	0.1
115.05472	0.7
116.98309	100.0
117.06982	0.7
117.98620	0.8
118.06539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
57.03435	0.3
57.98803	0.1
58.99591	2.3
59.04995	0.6
59.06107	0.2
59.96725	0.1
63.02370	0.4
69.03439	0.7
70.06596	0.3
70.99563	0.2
71.01359	0.3
71.04998	0.2
71.06935	1.0
71.54490	0.1
72.04524	0.2
72.08154	0.3
73.01144	2.2
74.93822	0.2
76.93370	0.8
79.05495	0.6
80.40588	0.1
81.07062	1.2
84.00349	1.8
85.01154	0.1
88.06577	0.2
89.03919	2.8
91.05479	0.7
94.94429	0.1
95.04976	0.2
95.45575	0.1
115.05472	1.1
116.98309	100.0
117.05724	0.3
117.06972	0.9
117.98608	0.5
118.06554	0.3
118.08614	0.1
120.91212	0.1
124.30826	0.1
126.76031	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	116.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
58.99588	2.1
59.96723	0.3
69.03412	0.2
70.54033	0.4
70.99572	0.2
71.06921	0.4
72.04485	0.2
73.01144	1.9
76.93370	0.6
84.00348	2.1
89.03924	0.6
91.05482	0.5
115.05447	0.7
116.98306	100.0
117.07029	0.8
117.98627	0.7
118.06640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
58.99323	0.2
58.99592	2.1
63.02357	0.2
64.83544	0.1
69.03423	0.3
70.10062	0.5
70.99593	0.1
71.06924	0.3
73.01149	2.0
74.93805	0.2
76.93362	0.5
84.00358	2.0
89.03922	0.8
91.05492	0.5
104.11652	0.2
115.05457	0.5
116.98308	100.0
117.07018	0.5
117.98586	0.6
118.06583	0.2
134.76894	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	115.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.05515	10.4
57.98821	1.0
58.99591	95.8
59.05000	7.6
59.96732	2.4
61.01157	13.5
65.03948	1.3
66.04720	1.5
67.05502	1.6
69.03408	3.1
69.07076	5.1
70.06592	2.4
70.12186	0.6
70.72790	1.5
72.93815	1.8
73.00731	1.5
73.01147	30.5
73.02927	0.9
73.93851	0.9
74.93835	4.5
75.02708	2.2
79.05498	53.0
81.07062	100.0
82.07398	1.3
85.01147	2.7
86.01948	0.9
87.00771	1.0
87.02699	14.4
87.04478	5.9
92.94889	1.4
95.05006	1.4
97.02914	1.1
113.04228	3.4
115.02169	4.0
115.03889	12.8
115.05811	55.7
115.09509	0.9
116.06194	0.7
129.28534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0579
Annotation	Diallyl sulfide
Peak:m/z	Relative Intensity
53.03946	8.6
55.05517	9.1
57.98803	0.9
58.99589	94.1
59.05010	3.3
59.96732	2.1
61.01155	14.4
63.09662	0.5
65.03943	2.3
67.05508	2.3
69.03416	1.5
69.07071	4.4
69.47697	4.1
70.06596	1.6
72.93784	1.9
73.01144	31.8
73.93855	1.1
74.93826	5.0
75.02696	2.2
79.05495	47.4
81.07059	100.0
82.07389	0.9
85.01131	3.1
85.02920	0.5
85.90492	0.6
86.01942	0.8
87.02160	0.7
87.02694	15.2
87.04467	3.1
91.20442	0.6
91.94883	0.6
92.94852	0.9
95.04966	0.7
113.04230	4.3
115.02168	2.0
115.03910	5.8
115.05801	54.4
116.06114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00733	0.9
53.03953	7.8
55.01871	0.9
55.05513	9.5
56.84889	0.4
57.93578	0.6
57.98804	0.5
58.99592	96.3
59.05007	12.6
59.96740	3.1
60.99167	0.4
61.01156	13.7
62.99059	0.6
64.98659	9.4
65.00651	0.7
65.03946	2.5
65.18837	0.4
65.99441	5.0
66.04725	0.8
66.98576	0.9
66.99094	0.6
67.00226	7.8
67.01048	0.5
67.05508	1.6
67.99359	0.5
69.00119	0.6
69.03433	3.9
69.07072	8.0
70.06595	5.7
71.06671	0.4
71.07021	0.6
72.93805	2.4
73.01148	35.2
73.02927	0.9
73.93837	1.6
74.01486	1.0
74.93838	6.0
75.00745	0.4
75.02708	2.0
79.05499	54.2
80.05837	1.2
80.06288	0.8
81.07063	100.0
82.07395	1.6
85.01121	3.1
86.01949	0.6
87.00758	2.0
87.02701	14.8
87.04473	10.7
90.94847	0.8
91.94872	0.5
92.94881	2.6
95.04990	1.9
97.01106	0.5
97.02880	0.9
99.00706	0.4
99.02737	0.5
100.01492	1.1
102.20787	0.4
105.04546	0.4
110.89703	0.3
113.04243	4.4
114.98595	0.7
115.02180	6.2
115.03888	21.1
115.05817	49.0
115.08722	0.9
115.09522	2.0
115.96494	0.6
116.06169	1.4
116.07085	0.8
116.97221	0.5
118.28185	0.3
133.97528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03708	2.1
53.03950	37.2
55.01871	5.2
55.05516	12.4
56.05042	1.3
56.96575	10.9
57.03440	2.2
57.93565	2.3
58.99591	43.7
59.05006	27.2
59.96732	9.1
60.55666	0.9
62.99043	1.2
65.03947	4.9
66.04726	18.9
68.05049	1.3
69.03432	17.4
69.05363	3.0
69.07072	10.3
69.90482	4.2
70.06601	15.0
71.04996	25.5
72.93793	8.6
73.02916	2.4
73.06553	1.6
73.93836	8.5
74.93832	18.9
79.05487	1.8
81.03424	10.1
82.04203	8.4
85.01134	48.8
85.02908	2.0
87.00829	6.4
87.02698	75.5
87.04469	22.0
90.01571	5.3
90.94825	2.6
91.94873	2.6
92.94897	5.1
96.40491	1.0
97.01122	80.1
97.02897	3.8
97.06525	3.1
97.56435	1.2
98.01906	100.0
98.06089	1.1
98.97617	1.2
99.02077	3.2
99.02698	0.9
99.99816	2.0
108.95964	1.1
110.95946	1.0
115.02162	87.0
115.03922	31.0
115.05451	3.9
115.07633	1.2
115.08649	1.5
115.09498	1.6
115.96460	2.8
116.02496	1.2
116.97220	2.3
121.78221	1.1
134.99536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05450	1.3
80.04976	1.0
80.56338	0.3
81.03396	1.1
81.05764	0.4
82.06571	0.7
84.08114	0.3
85.02902	2.9
86.09681	0.5
91.05435	1.2
93.05744	0.6
93.07053	3.0
94.06567	4.7
95.04926	0.4
95.07349	3.0
96.08128	8.5
97.02863	1.5
97.06507	0.4
103.05441	0.8
105.07022	0.4
106.06530	0.7
107.07310	0.8
108.04445	1.4
108.07443	0.7
108.08115	10.8
109.02897	0.4
110.06029	0.4
110.09681	13.2
118.06497	0.5
120.04462	0.8
120.08099	9.8
121.06413	0.4
122.05282	0.3
122.06039	4.1
122.09706	1.5
124.07598	3.0
127.03902	0.4
129.10239	0.3
132.04358	0.4
132.08040	0.4
134.05962	1.2
136.07574	8.8
137.08292	0.6
138.09140	22.5
144.04430	0.7
145.04941	0.6
146.05948	1.3
146.09673	0.5
148.07564	4.9
150.08096	0.4
150.09142	3.9
152.07098	3.2
156.08197	0.3
158.09656	0.4
160.03963	2.8
160.07507	0.6
162.05467	0.5
162.09126	0.4
162.38284	0.3
164.07076	1.6
166.08640	33.6
167.09140	0.3
168.08022	0.4
168.10245	1.9
172.03943	5.5
172.07576	0.4
174.05495	0.7
174.09132	0.9
178.04976	0.6
182.08160	0.4
186.09200	0.6
190.04999	3.7
192.06514	0.4
194.08066	0.5
197.10782	0.9
198.11404	0.8
199.08607	1.0
200.10780	0.4
204.06567	9.2
209.10748	0.8
210.11470	1.2
211.08649	2.2
211.12296	2.6
212.09184	1.5
212.13188	0.4
213.10242	5.5
213.13814	0.4
216.06355	0.4
220.09659	0.7
221.10756	0.4
222.11571	0.7
223.08662	7.8
223.12134	1.5
224.09325	2.1
224.12959	0.5
225.10223	27.6
225.13832	1.5
226.08786	0.3
226.10965	5.8
227.08168	0.5
227.11783	7.5
228.12376	0.5
229.09798	0.4
229.13367	0.5
229.46336	0.3
235.08653	1.4
235.12262	1.1
236.09384	1.2
236.12964	0.5
237.06473	1.0
237.10245	13.2
237.13792	1.6
238.10951	9.4
238.14583	0.6
239.08217	3.0
239.11792	19.4
240.12535	4.0
241.09712	1.0
241.13281	1.9
243.14934	0.6
246.07426	0.5
248.09492	0.4
248.10635	0.3
249.10228	2.9
249.13965	0.4
250.10962	3.9
251.08147	9.1
251.11781	14.4
251.14418	0.7
252.08823	1.2
252.12535	3.4
253.07048	0.6
253.09697	11.7
253.13330	7.5
254.10516	5.6
254.13522	0.5
255.11234	1.8
255.14885	1.0
256.11948	0.4
257.09229	0.8
257.12830	0.8
259.14243	0.4
262.10950	0.5
263.08032	0.5
263.08652	0.5
263.11783	5.4
264.08835	2.1
264.12527	2.5
265.09711	25.5
265.13315	14.9
266.10458	10.7
266.14026	2.4
267.11249	7.5
267.14853	1.7
268.09445	0.6
268.12006	0.9
269.09189	1.1
269.12802	2.5
270.09958	0.8
270.13611	0.4
271.10739	4.1
271.14365	1.3
273.12390	1.8
275.11746	1.0
276.12646	0.4
277.09714	1.7
277.13333	1.3
278.10504	1.9
279.11279	16.5
280.09341	0.8
280.12259	1.8
281.09729	0.5
281.12836	12.4
282.10080	1.4
282.13617	1.7
283.10757	11.5
283.14352	6.2
284.11554	4.8
285.12329	47.6
286.13080	5.9
287.05576	0.6
287.13947	3.1
291.11331	2.4
292.11914	1.2
293.09631	0.3
293.12811	8.2
294.10590	0.4
294.13577	2.0
295.10776	2.6
295.14365	3.6
296.11615	2.5
297.12323	18.3
298.09967	0.6
298.13144	10.0
299.13889	21.7
300.14481	1.2
301.15472	1.3
303.04968	0.4
305.09222	0.7
307.10806	2.8
308.11481	0.7
309.12326	11.4
310.13022	3.7
311.13892	18.2
312.14392	1.2
313.12033	0.7
313.15451	3.1
314.16449	0.4
315.13544	0.7
316.14508	0.6
318.15930	0.8
319.10828	2.1
320.11453	0.9
321.12323	4.1
323.10248	2.5
323.13763	0.6
325.11819	16.3
325.15335	1.0
326.12540	3.6
327.13391	50.7
328.13846	2.0
329.15195	0.7
330.12357	0.5
330.15976	1.3
332.17502	0.8
337.11819	8.4
337.15784	0.7
338.08569	0.4
338.12595	10.9
339.13376	12.0
340.14182	0.7
341.14932	3.1
342.16064	0.7
343.13098	1.6
343.16855	0.4
344.13681	1.5
344.17450	0.8
345.14709	0.7
346.15460	0.8
346.19186	0.5
351.13293	0.4
352.14175	0.4
353.15228	0.7
355.12738	2.1
356.14035	0.7
357.14481	12.6
358.15234	6.4
358.19437	0.6
359.15994	12.7
360.16693	1.0
362.18561	0.7
369.14453	6.5
370.15222	3.3
371.16037	14.4
372.16830	2.2
373.13876	0.4
374.18796	0.6
376.16434	0.7
377.15933	0.4
378.18155	1.3
385.64383	0.3
386.18835	1.0
387.15756	0.7
388.16452	0.9
390.18192	1.5
391.18860	0.6
392.19846	0.8
393.20081	0.4
400.16647	1.3
401.17279	0.4
402.18085	1.1
404.20145	1.5
406.17197	0.5
406.21872	0.5
412.16727	0.4
414.18185	1.3
416.19891	1.9
418.17325	7.5
419.18219	0.5
420.19089	1.4
422.20694	1.3
428.20285	0.8
430.16742	1.6
430.22464	0.6
432.19150	4.4
433.19534	0.6
433.87921	0.4
434.20828	0.9
436.18274	1.5
442.17334	1.0
444.19293	0.9
445.20093	0.5
446.20993	3.1
447.21652	0.9
448.18701	2.8
449.19421	1.0
450.20203	6.8
451.21002	4.3
452.21674	0.4
460.18768	3.8
462.20126	2.3
463.20886	1.6
464.21899	4.1
465.22583	0.8
466.23328	0.6
472.18634	0.7
473.19217	0.8
474.20203	3.8
478.19431	2.6
480.21295	11.9
487.16895	0.7
490.19724	6.2
491.20432	8.0
492.21274	53.1
493.21475	3.3
494.22568	0.9
504.21429	0.4
506.22873	0.8
509.21619	2.4
522.22412	8.6
523.23126	82.2
524.23883	63.4
525.24097	2.8
567.25488	0.4
569.27551	1.1
585.26740	0.7
587.28357	0.6
595.24854	1.9
613.26556	36.7
614.26672	2.3
627.27893	1.9
635.25238	0.4
636.25372	0.5
645.29187	100.0
646.29504	7.2
652.25397	0.7
653.25690	8.2
654.26611	3.5
663.01105	0.4
684.27325	1.3
685.28351	20.3
686.29108	4.1
687.29608	0.4
739.29132	0.5
757.30310	1.2
775.31512	4.3
807.34192	1.9
814.30334	0.8
977.36261	0.5
993.41638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
78.02289	0.2
79.05457	0.9
80.04980	0.8
81.03382	0.5
81.05771	0.3
81.07040	0.2
82.06534	0.6
85.02899	1.6
86.68296	0.2
91.05473	1.2
93.05750	0.4
93.07043	2.4
94.06564	5.8
95.04929	0.6
95.07355	2.9
95.08558	0.5
96.04473	0.3
96.08126	5.7
97.02869	0.5
97.06491	0.5
103.05402	0.6
105.05745	0.3
106.06504	0.7
107.04998	0.2
107.07331	0.5
108.04488	1.8
108.07424	0.4
108.08112	6.1
109.08881	0.4
110.06001	0.4
110.09681	10.5
118.06530	0.4
120.08108	7.4
121.06517	0.3
122.06033	7.9
122.09617	0.8
124.07544	0.5
127.03882	0.5
132.04407	0.9
132.08052	0.2
134.06026	2.4
136.07576	4.9
138.05518	0.3
138.09137	14.3
144.04459	0.2
144.08081	0.2
146.05943	0.7
146.09616	0.4
148.07567	2.9
150.05450	0.2
150.09146	2.7
152.06064	0.2
152.07092	2.2
160.03938	6.5
160.07538	0.3
162.05478	0.5
164.07077	3.1
166.08638	20.6
167.08897	0.2
168.10249	0.5
172.03938	1.1
172.07492	0.4
174.05437	0.4
174.09152	0.4
176.07117	0.2
178.05000	2.2
184.09856	0.3
190.04936	0.7
192.06519	0.5
194.09662	0.3
196.07501	0.2
197.10722	0.6
198.09258	0.3
198.11513	0.4
199.08652	1.7
199.12294	0.3
200.09218	0.2
202.04921	0.3
204.06526	1.4
206.08147	0.3
209.10725	0.7
210.11488	0.4
211.08665	2.0
211.12265	2.0
212.09216	1.0
212.13048	0.6
213.10187	2.1
213.13753	0.3
220.09729	0.2
221.10606	0.7
222.09486	0.4
222.11290	1.2
223.08646	3.2
223.12129	1.2
224.09396	0.9
224.12984	0.7
225.10222	12.5
225.13464	1.0
226.08821	0.2
226.10948	4.8
226.14378	0.2
227.08119	0.4
227.11795	3.4
229.13397	0.3
234.11546	0.3
235.08464	1.0
235.12149	1.0
236.09340	1.5
236.12968	0.6
237.10234	5.0
237.13840	2.7
238.10951	4.1
238.14601	0.3
239.08115	5.6
239.11755	13.2
239.15524	0.5
240.10272	0.3
240.12509	3.9
241.09669	0.9
241.13345	1.1
243.14952	0.3
247.12299	0.6
248.07159	0.2
248.09415	0.8
248.10849	0.6
248.13087	0.4
249.10219	5.2
249.14059	0.4
250.10956	6.5
251.08150	3.7
251.11760	14.7
252.08624	1.0
252.12556	3.6
253.09708	4.5
253.13332	10.4
254.10503	11.8
254.13765	0.6
255.11230	1.2
255.14853	0.9
256.12045	0.3
257.09131	0.3
257.12915	0.5
261.10202	0.4
262.10956	0.5
263.08432	0.5
263.11792	10.7
264.08987	1.0
264.12558	7.4
265.09732	5.6
265.13318	20.4
266.10504	2.9
266.13974	2.1
267.11246	6.3
267.14828	2.8
268.11981	0.9
269.09360	0.4
269.12790	1.5
271.10739	2.1
271.14047	0.4
275.11804	0.8
276.09988	0.4
276.12625	0.5
277.09680	1.9
277.13300	0.7
278.10483	2.0
279.08279	0.4
279.11264	7.9
280.12039	1.1
281.09427	0.6
281.12839	12.7
282.10123	0.7
282.13547	2.9
283.10757	6.1
283.14374	4.7
284.11395	1.9
285.12317	10.5
285.15607	0.3
286.13107	1.9
287.05307	0.3
289.13031	0.3
291.11264	3.3
291.14456	0.4
292.12021	1.1
293.09268	0.8
293.12799	6.8
294.10193	0.9
294.13583	3.0
295.10724	3.4
295.14328	1.6
296.11539	3.7
297.12350	6.3
298.13205	2.2
299.13889	13.4
300.14310	0.8
303.04926	0.8
305.09076	0.6
305.12476	0.3
306.09900	0.5
307.10907	1.4
308.11533	0.9
309.12326	60.3
310.12842	3.9
311.13889	22.7
311.17636	0.5
312.14310	0.8
313.11649	1.0
313.15298	0.4
314.12930	0.3
316.14484	0.2
318.13269	0.3
319.10834	1.9
319.14148	0.4
320.11667	1.5
321.12335	4.8
323.10239	0.7
323.14038	0.6
324.11047	1.5
325.11829	3.2
325.15402	0.4
326.12543	1.6
327.13382	80.5
328.13724	2.9
330.15848	0.3
331.16904	0.4
335.14203	0.5
336.14502	0.4
337.11823	11.0
338.12570	8.7
339.13376	14.4
340.13843	0.8
341.11072	0.3
341.14999	3.5
342.16031	0.3
343.12967	0.3
343.17004	0.2
344.13852	0.6
344.17682	0.3
351.13275	0.5
352.14380	0.3
353.15045	0.7
355.12878	0.5
356.13660	0.7
357.14496	4.6
358.15259	2.0
359.16003	8.6
360.16846	0.5
369.14447	25.6
370.15158	3.2
371.16006	36.1
372.16693	1.9
386.18927	1.7
387.16022	0.5
398.18774	0.4
400.16440	0.6
401.17404	0.6
402.18140	0.9
403.12436	0.4
404.19687	2.0
412.16339	0.3
414.18188	2.3
416.19687	9.7
418.17557	1.2
419.18430	0.4
420.19223	0.5
430.17572	2.8
431.17859	0.2
432.19177	6.2
433.19785	0.5
442.17575	3.2
443.18347	0.4
446.20691	0.7
448.18552	9.3
449.19208	0.4
450.20215	0.5
451.20639	0.2
453.16281	0.3
460.18652	41.4
461.18896	1.4
462.20053	0.5
464.22021	0.4
471.17712	0.4
473.19229	0.5
474.20316	2.9
478.19745	1.0
480.21298	37.6
481.21524	1.8
490.19501	1.1
491.20428	0.5
492.21274	100.0
493.14676	0.4
493.21539	4.1
506.22803	0.7
515.19696	0.5
522.22516	1.8
523.22998	1.8
524.23816	2.6
534.22369	0.3
567.26239	0.3
569.27679	0.7
585.27130	0.3
594.24268	0.5
595.25568	3.7
596.26056	0.4
610.24219	0.3
613.26532	67.5
614.26855	3.7
622.24072	0.3
624.25458	1.6
627.28040	3.0
628.28296	0.3
631.27814	0.4
636.25208	1.5
645.29175	40.4
646.29382	2.4
654.26727	2.7
684.27057	0.3
685.27722	0.5
739.29083	1.0
743.32721	0.4
747.32617	0.2
757.30261	1.4
761.34259	0.3
775.31738	1.7
789.33026	0.9
807.33752	0.8
816.32098	0.3
1087.08630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05433	2.2
80.04971	1.1
81.03339	1.9
81.05751	0.6
82.06506	1.0
84.08076	1.1
85.02908	4.3
91.05402	2.3
93.05728	1.2
93.07043	4.3
94.06572	6.7
95.04920	0.7
95.07359	3.4
95.08560	0.6
96.08127	9.6
97.02906	2.7
97.06493	0.5
103.05424	0.9
103.08706	0.5
106.06499	1.1
107.07256	1.6
108.04391	1.6
108.08111	15.4
109.02819	1.1
109.08865	0.7
110.06007	0.7
110.09679	18.3
119.08505	0.5
120.04382	1.4
120.08103	14.1
122.06026	6.3
122.09652	3.0
124.07590	3.2
127.03867	1.1
132.04333	0.7
132.08040	0.9
134.05930	1.4
134.09627	0.7
136.07582	12.7
137.08305	1.1
138.09142	27.2
138.10170	1.0
139.09436	0.5
144.04352	0.6
145.04890	0.7
146.05928	1.6
148.07574	6.7
150.09145	6.9
150.16246	0.5
152.07037	3.4
160.03925	3.7
160.07520	1.2
162.05482	1.1
162.09071	0.8
164.06993	1.6
166.08641	45.3
167.09131	0.7
168.10172	4.0
172.03932	4.6
174.05370	0.8
174.09067	0.8
176.07053	0.7
178.04976	0.8
190.04994	4.3
190.08511	0.6
195.09142	0.6
197.07036	0.6
197.10641	1.2
198.11383	0.7
199.08554	1.6
199.12262	0.9
204.04982	0.6
204.06573	7.3
209.10649	1.7
210.11353	1.0
211.08693	2.7
211.12273	3.9
212.09271	2.0
212.13031	0.9
213.10201	4.8
213.13655	0.8
220.09740	1.0
221.10728	0.6
222.11424	0.9
223.08655	8.8
223.12117	2.6
224.09387	1.5
224.12946	1.1
225.10222	27.0
225.13803	2.0
226.08759	0.9
226.10883	6.0
227.11758	10.2
228.12511	1.4
229.13364	0.5
235.08546	1.2
235.12305	1.2
236.09338	1.5
236.12869	1.2
237.06538	1.2
237.10220	17.6
237.13744	3.4
238.08737	0.7
238.10957	10.3
238.14482	0.7
239.08339	2.8
239.11792	23.7
239.15352	1.0
240.12553	6.4
241.09627	1.2
241.13318	4.1
244.09653	0.8
246.07547	0.8
249.06401	0.6
249.10236	4.6
249.13823	0.8
250.10950	4.0
251.08095	11.7
251.11731	20.6
252.08659	0.7
252.10176	0.7
252.12506	5.1
253.09654	12.4
253.13290	11.7
254.10454	7.8
254.13211	0.7
254.14087	0.8
255.11264	2.4
255.14847	1.2
256.12009	0.7
257.12811	0.9
261.10141	0.7
262.11008	1.0
263.11777	6.2
264.08801	3.5
264.12479	5.0
265.09644	30.1
265.13269	19.7
266.10422	15.7
266.13925	3.8
267.11194	11.6
267.14749	2.9
268.09515	1.8
268.12076	1.1
269.09012	0.8
269.12714	3.4
270.09943	0.8
271.10718	4.3
271.14151	1.0
272.11517	0.8
273.12283	2.3
275.11673	1.6
276.12408	1.2
277.10138	2.8
277.13358	2.4
278.10519	2.2
279.11282	24.1
280.09131	1.3
280.12292	2.5
281.09552	0.6
281.12842	18.1
282.09891	1.7
282.13501	2.1
283.10712	17.0
283.14316	8.2
284.11465	3.8
285.12326	37.1
286.13177	3.8
287.05484	1.1
287.13840	2.5
289.15356	0.7
290.10104	0.7
291.11404	4.0
292.11874	1.9
293.09607	0.7
293.12808	11.5
294.13608	3.1
295.10696	3.8
295.14322	7.5
296.11594	2.8
297.12347	20.0
297.15701	1.2
298.13196	6.9
299.13882	19.4
300.14517	2.1
301.15518	3.9
303.04691	0.7
305.12619	0.6
307.10760	6.5
308.11441	1.9
309.12323	13.8
310.13245	3.0
311.10391	1.4
311.13846	19.5
312.14462	2.3
313.12152	0.8
313.15378	3.7
316.14423	0.7
318.16006	0.7
319.10706	2.6
320.11304	1.4
321.12317	7.8
323.10199	1.8
323.13660	0.7
324.11035	1.1
325.11823	28.2
326.12518	7.3
327.13388	62.0
328.14011	2.8
329.14859	0.7
330.16006	1.3
332.17493	0.9
337.11795	9.3
338.12604	14.9
339.13382	19.1
340.13959	1.1
341.11325	0.8
341.15002	1.2
342.12314	1.0
343.12958	2.2
344.13831	1.6
344.17615	0.7
345.14401	1.8
346.15167	0.8
346.19180	0.7
351.13239	0.8
353.14938	1.1
354.16055	0.6
355.12949	1.5
356.13547	0.8
356.17661	1.0
357.14432	11.8
358.15289	5.4
359.16055	9.2
360.16794	1.3
369.14713	3.1
370.15256	2.4
371.16101	8.3
372.16843	2.0
373.18060	0.6
374.14651	0.9
374.18842	0.9
376.16199	0.7
378.18069	0.7
383.16364	0.8
384.17249	0.9
386.18658	1.5
388.16159	1.0
390.18082	2.3
391.18866	1.7
392.19632	2.1
393.20276	1.1
400.16479	2.0
401.17203	0.8
402.17844	0.9
404.19519	1.8
406.17252	0.6
412.16693	0.7
414.18103	1.4
415.15228	1.4
416.19635	1.9
418.17371	10.1
420.18967	1.1
422.21030	2.4
430.16791	2.5
432.19241	4.8
433.19891	0.7
434.20737	1.9
435.21582	0.7
436.18021	1.1
442.17630	2.6
444.18927	1.7
445.19519	0.7
446.21527	4.2
447.21509	0.7
448.18658	4.2
448.23187	1.4
449.19052	0.7
450.20276	7.1
451.21082	2.7
454.17474	1.3
456.18884	0.7
460.18723	5.8
461.19360	0.6
462.20087	3.6
463.20834	2.2
464.21783	4.4
465.22559	6.6
466.23471	4.0
472.18573	1.9
474.20184	6.0
478.19794	1.8
480.21375	7.1
487.17026	0.6
489.18576	0.9
490.13101	0.8
490.19739	13.8
491.20505	17.0
492.21283	60.8
493.21487	3.2
494.23044	1.0
495.22968	0.7
509.21619	5.6
510.22165	1.0
522.22284	8.8
523.23126	70.0
524.23883	49.4
525.24249	2.1
551.22614	0.8
552.22748	0.7
567.25348	0.6
569.27960	1.6
580.22992	1.0
585.27515	1.2
587.28516	7.4
594.24664	0.7
595.25806	3.0
613.26538	66.7
614.26880	4.5
624.25415	0.9
627.28247	1.3
631.27332	0.6
635.24664	1.8
636.25421	3.6
645.29175	100.0
646.29480	7.7
652.24963	2.9
653.25751	54.7
654.26508	19.1
654.34802	0.5
655.27515	0.8
673.28253	0.8
684.27295	0.8
685.28424	43.0
686.28894	11.7
686.47186	0.7
687.29810	0.7
739.29590	4.3
757.30731	3.3
775.31830	16.2
776.31500	0.9
789.32660	1.0
807.34778	6.6
815.30646	0.8
868.92480	0.7
977.36218	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	113.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03947	5.3
55.05521	0.4
58.99592	2.9
59.88528	0.3
65.27888	0.3
65.96184	0.3
67.05503	0.9
69.07076	14.8
69.41144	2.6
70.99600	0.5
72.93784	1.1
73.01141	1.2
77.03921	1.2
79.05499	54.5
80.05848	0.7
80.06273	4.2
81.03428	0.4
85.00641	0.7
85.01137	10.5
95.04977	7.1
97.01122	3.1
98.01909	7.9
98.20710	0.6
105.04528	1.9
111.02671	1.2
113.04239	100.0
114.04584	1.1
130.94627	0.3
132.32118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03956	7.2
55.01879	0.5
55.05535	0.4
55.77922	0.4
58.99592	4.2
66.93419	0.4
67.05505	1.1
69.07075	14.2
70.68697	1.1
70.69062	0.4
70.99584	1.5
72.93791	1.8
73.01128	1.3
75.60046	0.4
77.03933	1.0
79.05500	63.2
80.05850	0.8
80.06280	4.7
81.03412	0.7
85.01138	14.5
85.01653	0.7
93.37328	0.4
95.04978	8.6
97.01140	3.6
98.01904	9.0
99.02701	1.9
105.04535	2.6
111.02699	0.9
113.04241	100.0
114.04533	0.8
128.52800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03949	3.8
53.63070	0.2
55.01859	0.3
55.05507	0.3
58.99589	3.2
67.05516	1.0
69.07071	14.9
70.88097	0.5
70.99593	0.5
71.94096	0.2
72.93778	1.4
73.01144	0.8
76.11056	0.2
77.03934	1.0
77.26704	0.2
79.05495	54.6
80.05838	0.5
80.06274	4.2
81.03432	0.4
85.01131	8.8
86.01487	0.2
90.94817	0.3
95.04977	6.5
96.50842	0.2
97.01122	3.2
98.01904	7.9
105.04524	2.2
111.02677	0.9
113.04233	100.0
114.04571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00745	0.3
51.02378	0.4
53.03950	4.4
55.05511	0.5
57.68200	0.3
58.99585	2.7
62.99079	1.5
63.99862	1.0
64.98656	1.2
65.00645	0.8
65.99436	0.5
67.00215	1.0
67.05511	0.8
67.87746	0.3
69.07072	14.7
70.11589	0.9
70.99562	0.6
72.93806	2.0
73.01142	0.7
77.03936	1.1
79.05497	56.3
80.05849	0.6
80.06276	5.1
81.03475	0.4
85.01132	9.2
90.94820	0.4
95.04971	6.7
97.01120	3.1
98.01900	8.1
99.02682	0.5
105.04524	2.4
105.99023	0.3
111.02695	0.7
111.99394	0.3
113.04234	100.0
113.96463	0.3
114.04590	0.8
129.80980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26379	0.3
53.03949	6.3
55.01891	0.4
55.05511	0.4
55.89262	0.3
58.99587	3.8
64.21951	0.3
67.05505	1.2
69.07072	16.2
70.07398	0.3
70.13969	1.2
70.99574	0.6
71.94107	0.8
72.93793	2.5
73.01149	1.1
77.03931	1.2
79.05497	57.4
80.05850	0.7
80.06278	5.2
81.03411	0.5
85.01133	12.3
90.00132	0.3
90.94815	0.5
95.04974	8.3
97.01125	3.9
98.01905	9.1
98.02528	0.6
99.02683	0.8
105.04516	1.8
111.02673	1.2
113.02466	2.0
113.04235	100.0
114.04598	0.7
114.05386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.2
53.36964	0.4
55.01890	0.4
58.99590	3.0
60.73358	0.3
67.05505	0.9
69.07072	14.9
69.97386	1.7
70.99582	0.9
72.93790	0.4
73.01144	0.9
77.03935	1.0
79.05497	56.0
80.05845	0.5
80.06273	4.7
81.03423	0.8
85.01133	10.8
86.22265	0.3
95.04976	7.5
97.01122	3.3
98.01898	8.0
99.02682	3.1
105.04533	2.1
108.35680	0.3
111.02687	0.9
113.04234	100.0
113.47116	0.4
114.04559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04707	0.3
81.03416	0.3
83.01321	0.1
85.02899	1.0
89.03915	4.4
91.05473	0.2
95.04958	0.1
95.69243	0.0
97.02889	1.5
99.04469	0.1
101.02386	0.1
103.05460	0.2
105.03371	0.3
106.04173	0.2
107.04956	0.2
107.17083	0.0
109.02876	0.3
111.00810	0.6
111.04424	0.1
117.03377	8.3
118.03699	0.1
119.04951	0.1
121.02863	2.0
121.06466	0.1
124.05196	0.1
126.03196	0.0
127.03912	0.4
129.07039	0.1
131.03436	0.1
133.02863	0.5
134.03645	0.7
135.04420	0.8
137.02336	0.6
141.06937	0.1
145.02843	21.5
146.03186	0.3
147.04413	0.6
149.05975	2.9
151.03900	0.1
153.01825	2.8
157.06491	0.3
158.06053	0.1
161.05989	0.1
162.03136	0.2
163.03912	0.5
163.06026	0.1
165.01848	1.5
166.02512	0.1
169.06532	0.1
171.04427	0.2
175.07716	0.0
177.05466	42.6
178.05806	0.8
183.02895	0.7
185.05962	0.4
186.05443	0.4
189.05458	0.1
195.06508	0.6
197.05972	0.2
201.05540	0.1
203.03455	0.1
203.07060	0.1
213.05440	1.2
229.05043	0.1
231.06512	0.6
241.04932	1.0
243.06454	0.1
258.05249	1.0
259.06079	0.4
269.04407	0.2
270.05396	0.0
286.04599	0.1
287.05487	100.0
288.05801	2.4
299.05511	0.3
303.04764	0.1
311.05743	0.1
321.09708	0.2
329.06412	0.3
339.10773	2.5
353.06613	0.1
413.08569	0.1
431.11163	0.1
463.08694	28.5
464.09042	1.0
476.65311	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	1125.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04703	0.3
79.05472	0.2
81.03415	0.6
85.02425	0.1
85.02905	1.6
86.30204	0.1
89.03913	5.2
91.05474	0.4
95.04996	0.2
97.02277	0.1
97.02889	2.8
99.04446	0.2
101.02377	0.1
103.05462	0.1
105.03384	0.3
106.04131	0.2
107.04918	0.3
109.02843	0.4
111.00806	0.4
117.03375	10.8
118.03680	0.2
119.04876	0.2
121.02869	2.0
121.03791	0.1
121.06467	0.1
124.05228	0.1
127.03899	0.7
133.02815	0.4
134.03641	0.9
135.04402	0.8
137.02353	0.6
145.02840	27.6
146.03159	0.3
147.04369	0.5
149.05975	3.5
150.06294	0.1
153.01833	2.6
157.06491	0.2
161.05927	0.2
162.03133	0.1
163.03879	0.6
163.06131	0.1
165.01834	1.6
171.04420	0.2
175.03926	0.1
177.05463	65.0
178.05853	1.0
183.02887	0.7
185.05917	0.4
186.05429	0.4
189.05484	0.1
195.06517	1.7
197.06017	0.2
199.03893	0.1
203.07069	0.1
213.05429	1.0
231.06480	0.8
241.04878	0.7
243.06453	0.1
258.05301	0.9
259.06000	0.3
269.04501	0.2
273.22379	0.1
279.08798	0.1
286.04614	0.1
287.05481	100.0
288.05820	2.5
299.05530	0.2
321.09723	0.7
329.06461	0.3
329.44653	0.1
339.10742	10.0
340.11026	0.3
413.08817	0.1
439.90845	0.1
463.08688	34.6
464.09018	1.1
471.55670	0.1
494.46893	0.1
501.15994	0.2
625.14050	0.1
958.30634	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	1125.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04707	0.2
79.05499	0.1
81.03416	0.8
85.02415	0.1
85.02904	1.9
87.04446	0.1
88.31492	0.1
89.03918	5.4
90.97711	0.1
91.05477	0.4
93.07037	0.1
95.04971	0.2
97.02893	3.5
99.04439	0.3
101.02384	0.2
101.59407	0.1
103.05462	0.2
105.03381	0.3
106.04167	0.2
107.04958	0.2
109.02883	0.5
110.09119	0.1
111.00813	0.4
111.04475	0.1
117.03381	10.7
118.03674	0.1
119.04923	0.1
121.02870	1.9
121.06506	0.1
124.05254	0.1
126.38509	0.1
127.03899	0.8
133.02859	0.5
134.03658	0.9
135.04428	1.0
137.02376	0.5
141.06978	0.1
145.02847	28.6
146.03195	0.5
147.04396	0.6
149.05983	3.5
153.01833	3.0
153.03102	0.1
157.06456	0.3
158.06012	0.1
161.05975	0.1
162.03183	0.1
163.03923	0.5
163.06070	0.1
165.00514	0.1
165.01839	1.5
165.03235	0.1
171.04446	0.2
175.03970	0.1
177.05470	61.7
178.05823	0.8
183.02882	0.8
185.05980	0.4
186.05440	0.6
189.05426	0.2
195.06532	1.9
197.06104	0.1
199.03937	0.1
201.22867	0.1
203.07086	0.1
213.05455	1.2
231.06514	0.7
241.04968	1.0
243.06509	0.1
258.05273	1.0
259.06009	0.5
269.04474	0.2
279.08667	0.2
286.04654	0.1
287.05496	100.0
288.05835	2.4
299.05502	0.2
303.05048	0.1
317.06549	0.2
321.09683	0.9
329.06528	0.2
339.10754	11.3
340.11127	0.3
439.21890	0.1
463.08704	31.1
464.09048	0.9
464.14819	0.1
501.15903	0.2
808.19189	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	112.051
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01912	0.4
55.01871	0.7
56.05030	0.8
56.96572	3.0
59.75547	0.3
67.01860	0.5
67.02991	1.2
67.05511	0.7
68.01382	0.9
68.05026	1.8
69.03440	4.3
69.04559	8.8
70.02949	1.2
70.06605	1.9
70.40018	0.7
70.94264	1.0
70.95850	0.4
70.98090	0.3
82.01473	0.5
82.06590	0.3
84.04500	1.0
84.08144	2.0
85.02931	0.5
94.02938	1.4
94.04055	3.9
94.06586	0.4
95.02458	28.0
95.06073	0.4
96.00865	0.5
96.04449	0.4
98.20720	0.4
100.02473	1.0
112.05097	100.0
112.07609	7.8
113.02377	3.1
113.03483	1.2
113.05405	0.6
118.03535	0.4
133.03522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35591	0.3
53.03948	1.0
55.01887	1.8
55.05517	12.5
55.93535	1.2
56.05042	2.3
56.96572	16.3
57.03445	0.9
58.06606	2.7
67.01868	1.0
67.05514	1.6
68.05025	2.9
69.03435	14.8
69.04555	1.0
69.07066	1.5
70.02960	1.1
70.06599	10.3
70.14603	0.5
70.14964	1.3
70.94267	5.2
70.95872	5.8
71.02996	0.5
71.94102	2.6
71.95269	4.8
75.01049	0.6
79.05518	0.4
81.03446	0.9
82.01447	0.4
82.06577	0.7
83.06120	0.4
83.08617	0.5
84.01576	1.1
84.04515	0.8
84.08150	69.8
85.02908	1.1
85.08468	0.6
88.95317	1.3
88.96920	1.1
89.00270	0.6
89.00778	0.5
89.95146	0.4
93.02131	0.4
93.99929	0.3
94.02944	1.2
94.06579	0.6
95.02454	3.2
95.04983	0.6
95.06158	0.5
95.08622	0.3
96.00890	0.7
96.01566	0.7
96.04520	0.4
97.02923	0.5
98.01294	0.5
98.87422	0.4
98.97618	1.0
99.21609	0.3
100.02507	0.9
101.00758	0.4
109.00510	0.6
109.02890	1.3
110.01290	0.7
112.02255	0.5
112.03992	2.9
112.05111	9.9
112.05893	0.4
112.07617	23.1
112.11251	100.0
113.00022	0.8
113.02373	5.4
113.03510	1.5
113.04175	0.4
113.07925	0.4
113.11600	0.9
118.00999	0.4
118.03465	0.3
128.98578	0.4
131.00214	0.5
134.99643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41385	0.3
52.03255	0.4
53.03952	1.8
55.01878	2.1
55.05518	12.4
57.93552	0.6
59.46925	0.3
59.96732	2.6
62.99083	100.0
63.99865	60.5
65.00645	80.4
65.03949	2.8
67.05515	2.2
67.49192	0.4
68.02677	0.4
68.99795	0.6
69.03448	2.7
69.07086	2.8
69.73463	2.4
70.06582	0.4
70.94267	1.0
70.95854	0.4
71.01364	0.4
78.99975	0.4
81.07041	0.6
82.05334	0.6
83.04988	7.4
83.06100	0.7
83.08633	0.5
84.08138	0.9
85.02915	0.6
88.00491	14.6
88.95336	0.4
91.05483	1.4
92.96355	0.5
93.03418	0.5
93.07066	2.5
93.99117	2.3
95.04972	0.5
97.01013	14.2
98.00784	0.8
99.51283	1.5
104.01791	0.5
106.01499	0.6
110.93958	0.4
110.99383	10.1
111.00770	0.4
111.02697	8.3
111.04451	21.6
111.05603	1.2
111.06381	1.1
111.08093	5.9
111.09183	2.0
112.03944	0.6
112.07607	1.3
112.11242	0.7
113.96375	0.5
115.96446	7.1
116.97256	1.9
117.96010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01880	2.4
55.05515	17.3
56.05052	0.4
57.93565	0.4
58.25489	0.3
59.96738	2.3
62.99078	100.0
63.99860	60.4
65.00642	83.0
65.03955	2.5
67.05518	2.2
68.02666	0.6
68.05033	0.5
68.99812	0.3
69.03423	2.1
69.07072	3.4
70.06594	1.1
70.53757	0.8
70.94255	1.0
70.95872	0.6
78.04700	0.5
81.05317	0.3
81.07055	0.5
82.05341	0.5
83.04987	8.7
83.06102	0.8
83.08613	0.6
84.08142	0.9
88.00488	12.8
88.95295	0.4
89.00249	0.5
91.05482	2.5
93.03405	0.7
93.07049	3.0
93.99141	1.7
95.01260	0.7
95.04951	1.3
97.01013	11.6
99.51267	1.0
106.01550	0.5
108.51759	0.7
110.99375	10.7
111.02694	6.8
111.04446	24.9
111.05595	1.9
111.06404	1.8
111.07352	0.6
111.08083	7.8
111.09216	1.8
111.09943	0.6
112.03983	0.8
112.07577	2.0
112.11222	0.6
115.96442	6.6
116.97247	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	110.9758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01857	2.2
55.05517	10.2
56.05037	1.0
56.96569	100.0
57.03431	1.3
58.50529	1.6
62.99078	13.3
63.99860	6.6
64.50549	0.5
65.00321	0.8
65.00641	10.2
65.03946	2.9
66.00543	0.5
67.05495	1.9
67.51070	4.9
68.02639	1.1
68.05022	1.3
69.03429	3.6
69.04529	0.8
69.07057	2.0
70.06601	3.4
70.20646	1.1
70.94250	2.3
70.95849	1.8
70.98108	1.0
71.01360	0.6
71.94894	0.7
71.95272	10.4
72.96051	0.7
73.51064	5.3
74.00251	0.6
74.97598	1.3
76.51588	2.9
79.01863	2.5
81.01027	0.6
81.03408	1.5
81.23341	0.5
81.50770	2.0
82.01451	1.1
82.05332	0.7
82.06608	0.6
82.51592	3.0
83.00754	0.6
83.04980	6.6
83.06087	2.5
83.06890	0.7
84.01585	1.1
84.04534	0.6
84.06432	0.8
84.08143	7.4
84.96015	1.4
88.00483	4.1
88.02364	1.5
88.51573	0.7
93.07037	1.1
94.06553	1.0
95.02457	3.4
96.06850	0.9
96.53114	0.6
97.00475	1.3
97.01015	2.4
97.02302	0.8
97.41551	0.6
97.99111	0.6
98.21416	0.6
98.97572	0.7
100.02493	4.4
101.02576	0.6
103.02454	0.7
105.85511	0.6
106.01023	1.6
108.51300	0.6
109.00523	1.1
110.97574	8.7
110.99356	1.3
111.00764	0.8
111.03699	1.0
111.04449	16.4
111.05643	4.2
111.06371	2.6
111.07455	0.7
111.08130	1.3
111.09209	7.2
112.03959	1.0
112.04275	0.6
112.05106	11.3
112.07610	3.5
112.11254	8.4
115.01533	1.1
115.96427	1.9
116.97231	0.6
116.98595	0.9
118.03507	2.4
119.03624	0.7
120.03256	0.7
128.98611	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	110.9937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05520	2.4
56.96574	1.8
59.96740	2.0
62.99081	100.0
63.99863	62.3
65.00644	78.9
65.03952	0.5
67.05511	0.3
69.03431	1.0
69.07088	0.7
69.94072	0.3
70.06600	0.6
70.94247	0.3
71.48775	0.3
71.95277	0.3
83.04979	1.9
83.06105	0.3
84.08155	1.3
86.22614	0.3
88.00495	0.9
91.05459	0.4
92.66558	0.3
93.07066	0.3
93.99118	1.9
97.01004	0.7
100.28218	0.3
110.98603	0.6
110.99375	11.2
111.04459	5.1
111.05590	0.6
111.08110	0.7
111.09193	1.5
111.34263	0.3
112.07610	1.3
112.11264	1.0
115.96449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01876	2.1
55.05516	11.6
57.93564	0.7
59.96733	2.5
62.99080	100.0
63.99861	59.4
65.00643	80.1
65.03939	2.5
67.05510	1.9
68.05026	0.7
69.03434	2.8
69.07071	2.2
69.37307	3.0
70.06596	1.2
70.94272	0.8
70.95867	0.8
81.07058	0.6
83.04987	6.6
83.06101	1.1
83.06927	0.5
87.00461	0.5
88.00491	10.1
91.05485	1.8
93.03395	0.8
93.07054	2.0
93.99117	1.9
95.01268	0.5
95.04984	1.0
97.01014	10.3
99.51299	1.1
102.26421	0.5
105.04546	0.4
106.01545	0.7
110.99377	9.9
111.00819	0.7
111.02733	2.3
111.04447	19.7
111.05611	1.4
111.06389	1.6
111.08096	6.2
111.09210	2.1
112.03973	0.6
112.04992	0.4
112.07616	1.8
112.11217	0.6
115.96445	6.2
116.97236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03939	0.1
79.05493	0.1
81.03413	0.3
81.70545	0.1
85.02905	1.1
91.05480	6.2
92.05814	0.1
95.04973	0.2
97.02890	2.0
99.04434	0.1
101.02369	0.1
105.03378	0.2
107.04937	0.3
109.02899	0.3
111.00826	0.6
111.04465	0.1
119.04946	12.5
120.05320	0.2
121.02868	2.3
123.12482	0.1
127.03919	0.5
129.95030	0.1
133.02834	0.4
135.04369	0.1
137.02348	0.6
145.04956	0.3
145.06483	0.2
147.04411	57.4
148.04749	0.9
153.01826	3.2
157.06477	0.3
161.05966	0.1
163.06029	0.1
165.01825	1.6
165.05486	0.9
169.06480	0.1
171.04430	0.2
175.03860	0.1
183.02902	0.8
185.05925	0.4
197.06000	0.2
203.03395	0.1
213.05479	1.2
231.06483	0.6
241.04959	0.9
258.05264	1.0
259.06027	0.5
263.05664	0.1
269.04504	0.2
286.04706	0.1
287.05496	100.0
288.05811	2.7
291.08557	0.3
299.05582	0.2
309.06110	0.2
309.09698	3.1
310.10010	0.1
329.06573	0.3
463.08713	29.1
464.08972	1.1
481.09613	0.1
541.11090	0.1
703.98053	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	1095.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03431	0.4
85.02419	0.1
85.02904	1.5
91.05478	7.6
92.05803	0.1
95.04972	0.1
97.02274	0.1
97.02893	2.5
99.04426	0.2
103.05525	0.1
105.03388	0.2
107.04958	0.2
109.02869	0.3
111.00786	0.5
117.49890	0.1
119.04942	14.4
120.05263	0.3
121.02863	1.9
127.03894	0.7
129.06937	0.1
133.02844	0.4
135.04428	0.1
137.02368	0.5
145.04936	0.5
145.06488	0.2
147.04408	63.0
148.04752	1.0
153.01825	2.6
157.06470	0.3
157.66022	0.1
161.05994	0.2
165.01834	1.5
165.03238	0.1
165.05478	1.8
169.06401	0.1
171.04369	0.2
175.07684	0.1
183.02905	0.7
183.44713	0.1
185.05949	0.3
189.05516	0.2
197.05869	0.1
199.03960	0.1
203.07022	0.1
213.05481	1.1
219.57239	0.1
222.98056	0.1
231.06483	0.6
241.04970	0.9
258.05219	0.8
259.05963	0.3
269.04532	0.2
286.04672	0.1
287.05487	100.0
288.05832	2.7
291.08517	0.4
299.05469	0.2
309.09680	3.7
310.10291	0.1
329.06531	0.2
335.47559	0.1
339.08630	0.1
373.38354	0.1
443.93427	0.1
463.08698	34.0
464.09070	1.4
682.92499	0.1
757.52551	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	1095.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05481	0.1
81.03419	0.7
85.02909	2.0
91.05480	7.4
92.05804	0.1
95.04966	0.1
97.02892	4.2
98.21494	0.2
99.04475	0.3
101.02348	0.2
103.05466	0.1
104.14760	0.1
105.03395	0.2
107.04955	0.2
109.02868	0.5
111.00778	0.5
115.03930	0.1
119.04943	15.2
120.05293	0.2
121.02875	1.8
127.03913	0.8
133.02866	0.4
134.13956	0.1
135.04504	0.1
137.02339	0.5
145.03044	0.1
145.04965	0.5
145.06519	0.1
147.04410	81.5
148.04753	1.1
153.01826	2.5
157.06500	0.3
161.05930	0.1
163.06076	0.1
165.01845	1.5
165.05482	2.6
169.06485	0.1
171.04428	0.1
175.03951	0.1
183.02924	0.7
185.05954	0.3
189.05443	0.1
197.05972	0.1
203.03490	0.1
213.05455	1.0
231.06551	0.6
241.04955	0.7
243.06334	0.1
258.05267	0.9
259.05972	0.4
269.04453	0.1
286.04666	0.1
287.05493	100.0
288.05841	2.3
291.08594	0.9
299.05493	0.1
309.09680	11.7
310.10117	0.3
329.06543	0.2
463.08701	33.5
464.09106	1.1
471.15311	0.1
605.31439	0.1
666.20111	0.1
1039.51831	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.01607	0.5
51.02388	1.8
53.00308	1.3
53.03951	22.7
55.01880	7.2
55.05517	7.2
56.26889	0.4
62.99078	2.7
63.00733	1.2
64.98658	26.4
64.99497	1.0
65.00633	0.8
65.03948	7.2
65.99435	0.6
66.04733	1.6
67.05510	63.6
67.93571	1.5
68.07420	0.4
68.63534	0.4
69.07066	4.0
71.55093	0.6
79.05500	45.7
80.05073	0.4
80.06274	0.8
81.03426	36.6
81.07062	53.1
82.06586	1.5
83.65166	0.4
86.00697	1.2
87.00474	4.3
90.96791	0.8
91.05489	13.0
91.60837	0.4
92.05008	0.6
92.05828	0.5
94.04196	5.8
94.07817	1.2
95.04959	1.3
107.04960	1.3
107.08587	2.5
108.92410	4.1
109.01222	1.9
109.02885	11.6
109.06528	100.0
109.07716	2.8
109.08488	1.8
109.10166	27.7
109.10929	1.1
109.21328	0.4
110.06046	5.8
110.06860	1.2
111.96856	0.7
113.96413	0.9
129.25356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.31915	0.5
53.00322	0.8
53.03952	18.3
55.01876	1.5
55.05515	9.4
57.58522	0.5
61.06259	0.4
62.99075	1.1
63.00722	0.6
64.98662	10.5
65.03943	5.6
67.05510	100.0
68.05844	1.1
69.07070	6.0
71.14255	1.3
79.05497	13.6
80.06280	1.5
81.02930	0.7
81.03425	23.3
81.07063	32.4
82.06564	0.8
87.00463	1.4
90.96773	0.6
91.05476	3.0
94.04189	1.9
94.07837	0.9
107.04976	0.5
107.08615	2.8
108.92394	0.9
109.01189	0.6
109.02892	9.4
109.06528	11.3
109.10164	40.6
110.06023	2.9
113.96448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.5751
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05504	1.2
81.03427	6.2
81.07060	3.1
83.01343	0.4
83.08605	0.7
85.02908	100.0
86.03231	0.4
87.04475	2.3
91.03960	17.2
91.05480	1.2
93.07059	1.8
95.05005	0.4
95.08608	2.9
97.02897	31.1
97.06538	1.1
97.10171	0.4
99.04456	4.7
99.08118	0.4
101.02383	0.8
103.03947	1.2
105.07039	4.0
107.08599	3.0
109.02882	9.0
109.10162	1.5
115.03936	1.8
115.07578	1.8
116.69746	0.2
117.05505	0.6
117.07024	0.7
119.08588	2.5
121.10136	2.2
123.08058	0.3
123.11703	0.8
125.09633	3.1
127.03923	30.5
127.11189	1.0
128.04233	0.3
131.08571	1.2
133.10149	2.2
135.11707	2.0
137.13190	0.2
138.86949	0.3
138.98218	0.2
143.08699	0.3
145.04967	63.4
145.10132	3.1
146.05318	0.5
147.11691	4.3
149.13229	1.5
151.14841	0.3
159.11725	3.8
161.13266	18.2
162.13638	0.4
163.06023	43.0
163.14873	0.7
164.06416	0.4
171.11684	0.3
173.13260	2.2
175.14815	0.8
181.07106	0.5
181.12251	0.5
185.13307	0.6
187.14842	0.6
189.16420	0.4
199.14859	0.8
201.16324	0.4
203.17897	0.5
204.08736	1.2
213.16498	0.5
215.18005	1.2
217.19592	0.8
225.78920	0.3
247.08188	0.4
255.21089	20.4
256.21445	0.5
271.08197	1.6
273.22131	22.3
274.22662	0.7
285.25739	2.8
289.09207	4.0
325.11307	26.7
326.21655	0.3
335.25552	0.3
381.31424	1.9
399.32587	21.0
400.33060	0.5
415.32315	0.6
417.33655	49.1
418.34006	1.6
435.27478	2.9
579.38910	15.9
580.39276	0.7
741.43842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02391	1.1
53.00301	0.4
53.03950	16.9
55.01880	6.4
55.05516	6.9
57.93765	0.4
62.99063	0.8
63.00739	0.5
64.98656	10.4
65.03947	6.7
65.84055	0.4
66.04729	1.5
67.05509	61.5
69.07075	3.9
71.54734	0.5
79.05499	43.9
79.52186	0.4
80.06286	1.0
81.03425	18.9
81.07062	51.2
82.06589	0.8
87.00471	0.6
91.05481	11.0
91.39658	0.5
94.04177	4.2
94.07864	0.7
94.34783	0.4
95.04978	1.0
107.04980	1.3
107.08591	2.6
108.92419	0.8
109.01261	0.5
109.02890	5.6
109.06525	100.0
109.10163	29.1
110.06072	1.4
110.06844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01611	0.3
51.02386	0.6
53.03951	4.3
55.01878	0.5
55.05062	0.2
56.96570	3.8
58.99593	0.4
59.96738	0.6
60.99168	2.1
61.01149	1.7
62.99081	100.0
63.99861	2.1
64.95552	0.2
65.03954	0.5
66.61150	0.2
69.03432	0.2
70.33918	0.4
70.34306	0.3
71.01381	0.2
75.01031	0.3
77.03931	0.8
78.04660	0.2
79.05498	74.7
80.05028	0.5
80.05834	0.8
81.03427	0.6
84.01561	0.2
88.98669	0.2
89.00627	0.4
91.05487	3.0
95.04976	7.2
100.02506	0.3
105.04530	2.4
105.07037	1.0
107.00925	0.4
107.01664	6.7
107.04958	16.2
107.08575	0.9
108.04438	0.3
108.08114	0.5
109.06519	0.5
119.06068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01595	0.6
51.02388	1.1
53.03951	10.1
55.01871	2.5
55.05511	0.5
59.96744	0.4
61.01151	2.9
62.99079	74.9
63.00734	1.8
63.99408	0.3
63.99844	1.8
65.03943	15.1
67.05510	3.6
70.99569	0.4
70.99947	0.5
71.00269	0.4
77.03925	2.2
79.05495	43.2
81.03423	0.9
91.05484	100.0
92.05802	0.6
92.06277	4.3
93.05776	0.4
95.04973	14.1
95.96226	0.4
103.05453	0.6
105.04529	3.9
105.07035	27.9
106.04177	0.8
106.97887	1.6
107.01672	4.9
107.04959	50.8
107.08596	32.5
108.05303	0.6
108.08124	0.7
109.06520	12.4
114.87132	0.4
119.06071	6.1
122.26007	0.4
124.05186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1080.559
Annotation	Unknow
Peak:m/z	Relative Intensity
75.76226	0.3
79.05491	1.9
81.03425	5.7
81.07067	5.2
83.08652	0.4
85.02910	100.0
86.03234	0.6
87.04483	2.0
91.03960	14.7
91.05492	2.6
93.07056	3.2
95.04976	0.7
95.08615	2.5
97.02898	28.3
97.06556	1.4
98.21476	0.7
99.04452	4.3
99.08123	1.8
99.08676	0.3
101.02386	0.8
103.03936	0.9
104.88004	0.3
105.07039	5.1
107.08609	3.7
109.02888	9.0
109.06520	0.5
109.10152	3.5
115.03927	1.5
115.05463	0.4
115.07584	1.6
117.05511	0.3
117.07040	0.8
119.08604	3.4
121.06523	0.6
121.10149	4.4
123.11716	0.8
125.09641	2.6
127.03928	30.3
127.11201	1.3
129.06987	0.8
131.08563	2.8
133.10129	5.5
135.11687	1.9
142.07779	0.9
143.08594	2.8
145.04968	60.5
145.10150	4.4
146.05385	0.5
147.11690	6.0
149.13254	3.0
155.08568	0.7
157.10132	8.7
159.11708	5.6
161.13266	5.4
162.13457	0.4
163.06030	37.4
163.11264	0.5
169.10011	0.7
170.25836	0.3
171.11691	3.4
173.13269	2.3
175.11211	1.5
175.14821	1.6
175.69882	0.3
177.12724	0.4
181.12251	0.9
183.11774	1.5
185.13231	1.2
186.31302	0.3
187.14847	0.8
197.13297	2.6
199.14851	1.1
201.16391	1.0
204.08755	1.0
211.14792	1.9
213.16353	1.9
215.17958	2.8
223.14813	0.5
224.15579	0.6
225.16385	1.2
227.17993	0.6
229.19534	0.4
231.17586	0.5
238.17175	0.5
249.18471	0.5
251.17931	0.7
253.07253	0.5
253.19539	26.1
254.19833	0.6
255.21037	0.7
271.08047	1.3
271.20590	16.8
272.20963	0.4
281.22763	0.4
283.24258	7.0
283.94669	0.3
289.09216	3.5
317.24582	0.5
325.11307	26.6
379.29953	4.5
397.31030	38.4
398.31488	1.5
415.32101	37.8
416.32617	1.6
433.25946	3.2
559.35962	1.1
577.37408	17.9
578.37793	0.7
640.39734	0.4
739.41925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
76.29720	0.3
77.03922	0.4
79.05495	6.0
81.03420	10.3
81.07061	7.6
83.01347	0.9
83.04973	0.4
83.08614	1.0
85.02908	100.0
86.03242	1.2
87.04465	2.3
91.03959	16.3
91.05480	6.8
91.06060	0.3
93.07047	6.0
95.04979	2.1
95.08608	6.6
97.02895	43.3
97.06536	5.0
97.10157	0.5
98.03229	0.4
98.21414	0.4
99.04455	5.6
99.08073	0.3
101.02380	0.9
103.03961	1.4
105.07034	13.7
107.04938	1.0
107.08595	6.5
109.02885	8.9
109.06526	14.1
109.09454	0.4
109.10170	4.5
111.04453	0.3
115.03934	2.4
115.05434	0.8
115.07574	12.8
117.05590	0.4
117.07021	3.6
119.08575	8.4
121.10152	5.3
123.08063	0.5
123.11716	0.8
125.09650	0.7
126.56903	0.3
127.03922	33.9
127.11194	1.7
128.04228	0.5
128.83797	0.3
129.05486	0.4
129.07004	1.3
129.40407	0.3
130.07785	0.4
131.08563	4.4
133.10141	6.6
134.10524	0.3
135.11702	4.6
137.05959	0.4
137.13229	0.3
141.06966	0.3
142.07755	0.4
143.08636	1.6
145.04965	48.1
145.10127	11.0
145.11290	0.4
145.12219	0.8
146.05304	1.0
146.10472	0.3
147.11697	15.9
148.12053	0.4
149.13248	2.7
151.11189	0.7
155.08539	0.5
157.10159	2.3
158.10500	0.4
159.11710	12.2
160.12070	0.3
161.13263	38.4
162.13612	0.5
163.06020	35.0
163.11160	0.8
163.14803	0.9
164.06262	0.6
165.09102	0.4
167.10693	8.6
171.11703	1.6
173.13278	8.6
175.14803	1.1
177.05461	0.4
178.88678	0.4
181.07011	0.3
183.11778	0.5
185.13243	2.5
186.14024	0.4
187.14833	1.7
189.16415	0.9
197.11639	0.4
197.13266	0.5
199.14833	2.6
201.16373	0.4
204.08710	0.6
209.11650	0.4
211.14806	0.6
213.16328	1.7
215.17943	0.5
223.14767	0.3
225.16367	0.4
227.17920	0.9
229.07060	0.4
253.19536	4.9
254.19859	2.4
255.21088	55.9
256.21387	1.7
257.22647	2.0
269.13791	0.5
271.08118	1.1
271.20627	3.1
272.20978	2.1
273.22134	76.2
274.22403	2.0
283.24213	0.6
285.25708	3.7
287.14951	0.3
289.09155	1.9
325.11288	9.2
363.30319	0.3
381.31281	1.8
382.47330	0.3
397.30917	0.8
398.31314	0.6
399.32532	8.6
400.32977	0.5
409.14325	0.3
415.32086	1.2
416.32516	1.6
417.26572	1.7
417.33630	33.7
418.33841	1.2
435.27438	14.0
436.27908	0.5
543.36316	1.3
561.37744	0.7
579.38879	8.5
580.39056	0.5
597.32587	1.6
705.41772	0.4
741.44037	1.6
752.58704	0.4
818.52802	0.3
903.35114	0.3
903.49457	3.7
1029.52429	0.4
1065.54651	2.5
1066.52161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02372	1.4
53.03951	12.5
58.99596	6.4
60.08165	0.8
61.01157	64.3
61.08467	0.6
62.99076	0.7
65.03952	1.0
69.95574	3.5
70.17827	0.7
70.99588	6.9
72.00373	3.5
77.03944	3.7
79.05500	51.2
80.91364	0.8
81.03413	1.3
95.04981	16.4
97.13393	0.7
103.05475	28.4
104.96357	1.6
104.98325	22.0
104.99009	1.5
105.04521	5.5
105.07038	100.0
105.11084	3.2
106.07379	0.9
110.04365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05490	6.5
81.02971	0.7
81.03423	8.6
81.03893	0.3
81.07063	7.7
83.01347	0.9
83.08636	1.1
85.02907	91.6
86.03242	0.9
87.04469	1.9
91.03959	13.9
91.05477	7.8
93.07050	10.6
95.04994	2.2
95.05489	0.4
95.08621	6.2
96.05382	0.5
97.02892	34.7
97.06529	3.8
99.04454	5.0
99.08085	0.9
101.02400	0.8
103.03925	0.9
103.05477	0.7
105.07035	10.5
107.04964	0.7
107.08597	7.8
109.02877	8.6
109.03577	0.6
109.06521	12.3
109.10161	8.7
115.03921	1.4
115.05466	1.2
115.07570	10.7
117.05496	0.5
117.07026	3.5
119.08583	7.3
119.09344	0.6
121.06545	0.6
121.10145	13.8
123.11727	0.9
125.09634	0.9
127.03923	27.1
127.11185	1.2
128.06233	2.1
129.07025	3.8
131.08568	9.0
133.10136	11.6
135.11703	3.7
135.27542	0.5
141.07011	1.6
142.07762	4.6
143.08571	10.0
144.09329	0.8
145.04968	40.9
145.10127	10.4
145.12253	0.9
147.11690	19.9
149.09700	0.9
149.13272	3.9
151.11211	1.4
155.08560	2.9
156.09340	0.6
157.10132	25.8
159.11694	16.2
161.13277	3.5
163.06021	24.7
163.11201	1.0
163.14809	0.5
167.08607	0.6
167.10675	10.3
168.09386	0.7
169.10133	2.9
171.11691	9.6
173.13246	5.2
175.11198	2.4
175.14810	1.2
177.05394	0.8
177.12675	0.5
181.10133	0.5
181.12381	0.5
182.10867	0.9
183.11696	3.7
185.13293	3.6
187.14835	1.3
188.83138	0.4
195.11716	0.7
197.13272	6.5
198.13768	0.6
199.14812	2.0
201.16353	0.6
209.13248	1.1
210.14145	0.4
211.14832	4.4
213.16409	1.7
215.17928	0.7
219.06436	0.5
223.14793	0.9
224.15607	1.4
225.16347	3.0
229.19505	1.6
238.17101	2.0
239.17924	0.5
241.19504	0.5
249.16443	0.6
251.18004	1.9
253.19521	100.0
254.19827	2.9
255.21082	4.7
265.56665	0.5
266.31937	0.5
269.13715	0.6
269.18936	0.8
271.08136	1.6
271.20569	75.8
272.20911	2.0
277.12640	0.5
281.22745	0.8
283.24194	6.9
289.09186	1.6
325.11295	6.3
361.28976	0.6
362.13953	0.5
379.25500	0.6
379.29950	6.1
397.31033	20.6
398.31250	1.2
415.32083	49.7
416.32092	2.5
433.25870	8.9
444.58868	0.5
523.33807	1.3
541.35022	1.7
559.36438	3.4
560.37518	0.4
577.37366	15.2
578.37396	1.0
739.42847	3.1
1063.52747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04697	0.2
79.05465	0.1
81.03420	1.3
84.04478	0.1
85.02908	0.6
87.00811	0.1
89.03914	5.1
91.05471	0.3
95.04973	0.1
97.02889	3.3
99.04446	0.3
103.05457	0.2
105.03386	0.4
106.04172	0.2
107.04950	0.2
109.02858	0.4
109.11269	0.1
111.00801	0.5
117.03377	10.7
118.03721	0.1
119.04956	0.1
121.02862	2.1
121.06522	0.2
124.05191	0.1
127.03908	0.6
129.06923	0.1
133.02827	0.4
134.03630	1.0
135.04437	0.8
137.02335	0.6
137.05972	0.1
145.02846	24.9
146.03163	0.4
147.04420	0.5
149.05977	4.1
151.03918	0.1
153.01833	2.5
157.06480	0.2
158.06020	0.2
161.05991	0.1
162.03114	0.3
163.03931	0.6
165.01822	1.4
171.04366	0.1
177.05467	45.3
177.39104	0.1
178.05812	0.7
183.02879	0.7
185.05969	0.4
186.05472	0.4
195.04723	0.1
195.06525	2.5
197.05948	0.1
203.03482	0.1
203.07118	0.1
213.03923	0.1
213.05486	1.0
221.94643	0.1
229.05058	0.1
231.04623	0.1
231.06702	0.5
241.04909	0.8
258.05258	0.9
259.06088	0.4
263.05252	0.1
269.04379	0.1
287.05490	100.0
288.05820	2.5
299.05698	0.1
321.09692	1.7
365.06387	0.1
407.09976	0.1
425.10803	3.3
426.10657	0.1
448.00452	0.1
463.08698	30.0
464.09030	0.9
771.31146	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	1049.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04696	0.2
81.03422	1.2
85.02902	0.8
87.00832	0.2
89.03920	4.7
91.05478	0.3
93.07056	0.1
95.04974	0.1
97.02281	0.2
97.02895	2.9
99.04454	0.3
103.05465	0.2
103.66573	0.1
105.03386	0.3
106.04160	0.3
107.04956	0.2
109.02859	0.5
111.00814	0.4
111.04499	0.1
117.03382	10.2
118.03588	0.1
121.02858	1.8
121.03706	0.1
125.02327	0.1
127.03911	0.7
129.04492	0.1
130.13814	0.1
133.02869	0.4
134.03621	1.0
135.04414	0.9
137.02351	0.5
141.01782	0.1
145.02850	25.5
146.03185	0.4
147.04387	0.5
149.05984	3.8
150.74593	0.1
153.01831	2.7
157.06462	0.3
161.05984	0.2
162.03098	0.2
163.03903	0.5
165.01843	1.3
169.06439	0.1
171.02966	0.1
171.04396	0.2
177.05473	45.4
178.05896	0.6
183.02896	0.8
185.05951	0.4
186.05479	0.6
189.05464	0.2
195.06532	2.2
197.05940	0.2
203.00586	0.1
203.07034	0.2
213.03749	0.1
213.05486	1.1
231.06639	0.6
241.04918	0.7
241.08578	0.1
242.05611	0.1
243.06413	0.1
258.05228	0.8
259.06027	0.4
259.09763	0.1
263.05716	0.1
269.04639	0.1
269.19067	0.1
287.05502	100.0
288.05826	2.4
299.05707	0.2
321.09705	1.8
365.06418	0.1
408.14130	0.1
425.10797	3.4
463.08716	28.6
464.09091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95278	0.2
53.03951	0.3
57.59251	0.2
58.99593	7.5
59.96745	0.9
61.01156	100.0
62.01487	0.2
64.01615	0.2
69.58728	1.0
69.59142	0.4
70.99583	9.8
72.00365	7.5
79.05505	0.5
95.04990	0.3
102.96764	0.6
104.98322	37.5
105.07043	0.5
105.98672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45715	0.2
53.57977	0.2
58.99591	8.3
59.84135	0.2
59.96732	1.0
61.01154	100.0
62.01106	0.3
62.01477	0.3
68.11377	0.2
70.39393	0.2
70.99583	12.0
71.25267	0.3
72.00362	10.8
72.64645	0.2
79.05495	0.2
102.96764	1.0
103.05478	0.2
104.98320	50.5
105.07059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98820	0.3
58.99286	0.3
58.99591	12.2
59.96735	2.3
61.01154	100.0
62.01502	0.2
70.84813	0.5
70.85132	0.2
70.99583	19.6
72.00364	23.8
78.96779	0.2
79.05498	0.3
99.22830	0.2
102.96755	1.6
103.05479	0.4
104.98322	91.0
105.07036	1.1
105.98684	0.3
109.66847	0.2
123.84577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97220	0.2
58.99591	7.8
59.96734	0.9
61.01155	100.0
62.01493	0.4
64.72632	0.2
67.15700	0.2
70.99583	10.6
71.03853	0.3
72.00364	8.3
79.05496	1.0
79.21406	0.2
81.37666	0.2
102.96764	0.6
103.05479	0.7
104.98323	42.5
105.07029	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
58.99596	6.7
59.96735	1.3
61.01155	100.0
62.01482	0.3
70.63448	0.7
70.99584	11.3
72.00365	8.6
78.85759	0.2
79.05506	0.7
91.36196	0.2
95.05000	0.4
99.71532	0.2
102.96761	0.8
103.05479	0.3
104.98323	40.0
105.07032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
56.33257	0.3
58.99591	7.7
59.41032	0.3
59.96734	1.0
61.01153	100.0
62.01090	0.3
62.01479	0.5
69.47636	0.5
69.48042	1.5
70.99580	11.0
72.00359	9.5
79.05502	2.3
95.04964	1.3
102.96762	0.7
103.05470	1.5
104.98319	40.6
105.07025	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	104.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48317	0.2
58.99590	7.9
59.96749	1.0
60.45362	0.2
61.01153	100.0
62.01477	0.5
67.67107	0.2
69.84537	0.4
69.84929	0.6
70.99580	10.2
72.00361	8.3
72.00761	0.4
79.05490	0.6
101.18674	0.2
102.96760	0.7
103.05482	0.5
104.98320	38.7
105.07030	1.6
105.11103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
58.99589	11.7
59.96731	1.6
61.01153	100.0
61.83102	0.3
62.01493	0.4
70.29752	0.6
70.99579	16.2
72.00362	17.0
73.01141	0.3
79.05501	1.1
95.04973	0.8
102.96761	1.6
103.04867	0.2
103.05497	0.7
103.53896	0.3
104.96354	1.0
104.98318	68.5
105.03404	0.5
105.04495	0.5
105.07037	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	104.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.3
53.03968	0.3
54.97050	0.2
58.99591	9.6
59.96738	1.4
61.01155	100.0
62.01487	0.5
69.76447	1.1
70.99583	12.5
72.00365	11.7
79.05530	0.4
84.95168	0.2
102.96749	1.0
104.98324	50.2
105.07051	1.2
120.21856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.3
53.03949	0.3
58.99588	7.6
59.96733	1.3
61.01155	100.0
62.13180	0.3
69.35525	2.1
69.35928	0.4
70.73180	0.3
70.99584	10.9
71.99972	0.5
72.00365	7.7
79.05499	0.8
102.96745	0.8
103.05487	0.6
104.98322	39.4
105.07029	1.9
105.11056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	5.0
59.07382	1.3
60.08166	46.8
69.03438	0.6
69.30974	1.7
69.31380	0.6
72.89809	0.3
86.06083	0.3
87.04482	1.8
94.02415	0.3
99.59586	0.3
104.10748	100.0
105.11063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	4.9
59.07386	1.4
60.08167	48.5
61.08510	0.1
68.05036	0.1
69.03436	0.6
69.30801	0.2
69.31223	0.2
86.06068	0.5
86.09718	0.2
87.04471	1.5
88.07631	0.1
89.08431	0.1
104.10749	100.0
105.11066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99593	7.3
58.99872	0.6
59.96739	1.0
61.01154	100.0
69.26263	3.1
70.99583	10.0
72.00364	8.3
79.05502	1.0
95.05000	0.5
102.96773	0.9
103.05451	0.8
104.98321	42.4
105.07029	2.4
108.11870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	0.8
81.05568	0.1
84.08141	0.1
85.02911	0.6
87.00851	0.2
89.86007	0.1
91.05483	9.9
92.05830	0.2
94.34090	0.1
95.04979	0.2
97.02895	2.4
99.04453	0.3
105.03380	0.2
107.04970	0.2
108.44817	0.1
109.02897	0.4
111.00806	0.6
119.04946	18.8
120.05274	0.2
121.02871	1.9
123.04451	0.1
127.03895	0.8
127.04678	0.1
133.02879	0.5
137.02364	0.5
141.07019	0.1
145.05013	0.1
145.06448	0.1
147.04414	56.6
148.04759	1.0
151.03947	0.1
153.01831	2.5
157.06512	0.2
159.04494	0.1
161.06033	0.1
165.01846	1.5
165.05486	2.7
171.04436	0.2
183.02914	0.9
185.05991	0.4
197.06017	0.1
213.03754	0.1
213.05511	1.0
229.05054	0.1
231.06720	0.5
241.04897	0.8
255.06555	0.1
258.05255	0.9
259.06030	0.4
269.04510	0.2
287.05502	100.0
288.05832	2.4
291.08691	0.8
299.05536	0.2
303.05020	0.2
365.06476	0.2
395.09943	0.6
463.08719	29.0
464.09155	1.1
709.62408	0.1
965.53937	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.8
51.02386	3.6
52.57228	0.6
53.03954	27.0
55.01876	1.4
60.08156	0.6
65.56390	0.5
70.05284	1.0
70.05677	1.6
77.03925	6.8
81.03426	1.9
85.02885	0.7
92.78249	0.6
93.68533	0.8
95.04978	31.2
95.54982	0.6
98.20786	0.7
102.04698	5.6
103.05478	100.0
104.05795	0.7
104.10741	2.3
105.04523	11.4
112.47759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.2
58.06599	4.2
59.07380	1.3
60.08167	46.6
61.01151	0.4
69.03425	1.3
71.04530	0.5
86.06070	0.7
87.04476	2.7
104.10748	100.0
105.11105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36761	0.2
53.00312	0.2
53.03943	0.3
53.31975	0.2
55.05514	4.4
56.05048	0.2
56.96576	0.2
57.07081	2.9
57.98804	0.8
58.99591	100.0
59.05008	0.5
59.96733	2.5
59.99931	0.3
61.01154	5.9
65.03948	5.4
67.05508	27.0
69.57394	0.7
69.57817	0.7
73.01147	7.3
85.02888	0.3
86.01902	0.2
99.02703	1.5
101.00612	10.4
101.02274	1.3
101.04248	16.2
101.07979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04989	0.1
74.45255	0.1
79.05485	0.1
81.03413	1.4
84.08172	0.1
85.02908	0.7
87.00839	0.2
87.04475	0.1
91.05482	8.1
92.05816	0.1
95.05004	0.1
97.02895	3.3
99.04456	0.4
103.05478	0.1
105.03392	0.1
107.04967	0.3
109.02877	0.5
111.00812	0.6
119.04946	18.0
120.05292	0.2
121.02877	2.2
123.04429	0.1
124.49885	0.1
127.03910	0.9
133.02863	0.5
137.02339	0.4
145.04948	0.2
145.06458	0.2
147.04414	69.3
148.04776	0.8
153.01828	2.5
157.06519	0.3
162.10513	0.1
165.01836	1.3
165.05484	3.3
171.04451	0.2
183.02917	0.6
185.05986	0.3
197.06059	0.1
199.03889	0.1
199.07504	0.1
203.42618	0.1
213.04088	0.1
213.05551	0.9
217.04874	0.1
229.05157	0.1
231.06641	0.5
241.04922	0.8
243.06396	0.1
258.05246	1.0
259.06006	0.4
269.04443	0.2
287.05499	100.0
288.05829	2.4
291.08627	1.4
299.05524	0.3
329.06387	0.1
377.08789	0.1
395.09760	3.1
463.08716	28.4
464.08929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64276	0.2
53.03947	0.4
55.05517	5.4
56.05018	0.2
56.96570	1.6
57.07083	2.5
57.98813	0.7
58.34766	0.2
58.99590	100.0
59.05013	0.5
59.06133	0.3
59.93121	0.4
59.96734	2.4
59.99933	0.3
60.04537	0.5
61.01153	6.0
65.03945	8.1
66.60087	0.2
67.05508	28.5
67.51083	0.3
71.10053	0.3
73.01148	5.6
73.02904	0.2
79.01868	0.5
79.57085	0.2
83.04988	0.3
85.02911	0.7
86.01878	0.3
95.63063	0.2
99.02680	1.5
100.98899	0.5
101.00613	3.6
101.02264	6.6
101.04245	15.2
101.06037	0.5
101.07948	1.0
102.05531	0.2
114.29138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05514	5.0
56.05049	0.2
56.96581	0.3
57.07084	3.5
57.98804	0.6
58.99591	100.0
59.05011	1.7
59.06141	0.5
59.93122	0.3
59.96729	2.2
60.04542	0.5
61.01154	5.9
65.03946	5.6
67.05508	26.1
69.48141	1.5
73.01147	5.8
73.02940	0.3
78.97790	0.2
83.04987	0.7
83.35957	0.2
85.02913	0.5
99.02685	1.5
100.98898	0.4
101.00613	2.6
101.02279	1.1
101.04249	13.8
101.06021	0.8
101.07950	0.6
102.05540	0.3
102.09187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05514	3.6
56.96557	0.3
57.07080	2.5
57.98798	0.7
58.99590	100.0
59.93093	0.2
59.96730	2.2
59.99923	0.3
61.01156	5.3
65.03946	5.3
67.05507	25.7
71.54897	0.2
73.01147	5.1
74.84142	0.1
86.01898	0.2
99.02676	1.3
100.98892	0.3
101.00590	0.8
101.02320	1.0
101.04247	15.3
101.07980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01873	2.2
55.05510	3.6
56.05047	2.2
56.78830	0.3
56.96570	19.6
57.03443	2.4
58.96167	1.5
58.99865	1.7
59.05003	3.1
59.93110	1.1
59.96188	0.6
59.99947	0.8
60.04531	0.6
60.95851	2.5
61.02923	1.1
62.99081	1.0
65.52221	0.4
66.58135	0.4
68.00268	1.2
68.02654	2.6
68.99798	0.5
69.01944	0.5
70.98112	0.5
70.99863	1.6
71.00409	0.4
71.01349	0.9
71.54061	0.6
71.95275	1.4
73.02920	3.8
74.00249	0.5
74.02458	0.6
75.01051	1.4
77.00869	3.1
78.00979	0.6
78.52967	1.1
79.01854	1.7
80.52745	0.5
81.03425	0.4
81.50776	2.0
82.01460	1.0
82.52436	0.6
82.98069	1.9
82.99855	1.2
83.00797	1.7
83.01504	2.7
83.04980	1.4
84.01565	1.0
84.04510	0.6
84.08164	2.6
84.52956	0.4
84.96036	0.6
85.02897	1.3
86.01311	0.4
86.50001	1.6
86.52696	0.4
87.01916	0.7
88.51554	0.6
89.00266	1.3
89.00868	1.1
90.01572	1.4
90.51347	0.4
91.98600	4.2
92.01303	0.7
95.01932	0.8
95.50525	3.8
96.02079	0.5
97.00112	0.4
98.00762	0.9
98.01312	0.9
98.52690	1.1
98.97597	3.3
99.49712	0.6
100.02489	5.2
100.99118	1.3
101.00890	21.3
101.02556	13.3
101.06023	1.2
101.07918	0.7
101.11595	0.6
101.52316	0.4
102.02254	2.5
102.05521	0.6
103.02415	0.7
108.50253	0.7
110.97565	1.1
115.01180	1.4
115.02445	0.6
116.98643	2.1
117.96008	0.5
118.03513	2.4
118.96756	0.5
119.01927	100.0
119.03628	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56141	0.8
55.01868	2.0
55.05521	7.0
56.05040	5.5
56.96566	4.5
57.03426	0.8
58.96157	2.6
59.04992	3.7
59.05864	1.3
59.06131	15.1
59.93099	3.7
59.96175	1.2
60.04507	3.9
60.95835	2.5
65.66611	0.8
68.38037	0.9
71.30505	1.2
73.02915	2.7
77.00829	0.9
78.00994	1.0
82.99836	1.5
83.01520	3.6
83.04983	2.8
84.04485	1.0
85.02891	2.1
89.00266	7.2
89.50424	1.0
94.81123	1.0
98.00774	5.2
98.21432	1.0
100.02483	1.3
100.97218	1.3
100.97958	1.7
101.00888	20.5
101.02567	13.3
101.03465	1.1
101.06007	2.3
101.07123	2.1
102.02238	2.4
102.05536	1.4
117.96026	5.5
118.96778	2.3
118.98239	1.3
119.01929	100.0
119.03605	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	993.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	1.2
71.01385	33.2
71.61955	0.9
72.99311	2.9
73.02947	6.5
75.00874	1.2
81.03458	0.8
83.01384	5.4
85.02956	13.5
86.00103	1.0
87.00874	4.9
88.98806	12.3
89.02444	11.0
95.01398	3.7
97.02946	2.5
99.00884	4.3
101.02450	23.4
111.00880	4.2
113.02451	14.1
119.03516	3.2
125.02435	2.0
126.29189	0.7
129.01900	1.0
131.95712	0.6
137.02443	1.0
141.01970	1.3
143.03500	2.5
145.54250	0.6
159.02982	2.0
161.04567	3.0
299.25858	1.1
345.30161	4.8
507.35397	6.3
508.12598	0.7
508.36288	1.0
651.40033	1.0
669.40527	5.5
670.40729	1.0
776.62085	0.9
813.45111	3.0
831.45801	11.6
832.46771	2.1
993.51227	100.0
994.51581	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	995.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35291	0.5
69.35717	0.2
78.95906	6.3
80.30606	0.1
86.63246	0.1
100.54825	0.1
109.64389	0.1
122.00160	0.2
137.30554	0.1
140.01201	2.2
152.98679	0.1
152.99614	0.9
171.00681	0.2
196.03770	0.9
214.04858	2.6
221.36911	0.1
261.22260	0.3
279.23279	100.0
280.23633	6.2
476.27823	48.8
477.28174	4.8
632.41217	0.1
910.66010	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	995.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74328	0.5
78.95901	30.0
96.61465	0.2
96.96960	0.5
99.32624	0.2
122.00133	1.0
132.96143	0.2
140.01190	6.1
152.99591	2.4
171.00626	0.9
196.03784	10.1
214.04825	2.4
261.22220	0.4
279.23267	99.5
280.23630	6.7
447.60147	0.3
466.25491	0.2
476.27802	100.0
477.28101	9.0
525.21039	0.2
979.77997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
72.74611	33.6
98.19875	100.0
103.41329	29.3
179.09290	29.3
187.79597	31.0
212.76122	35.7
477.23929	42.3
484.20673	35.4
758.31854	32.9
785.94238	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.66
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00175	0.5
71.01387	8.1
72.99315	1.0
73.02949	0.8
75.00881	0.3
79.95734	0.4
83.01408	0.6
85.02946	2.4
87.00877	1.0
89.02444	6.9
89.02991	0.3
90.02717	0.2
95.01409	0.7
95.93463	0.3
99.00873	0.3
101.02441	6.2
101.03081	0.4
113.02454	3.4
113.09730	11.5
114.10052	0.4
119.03499	3.1
127.11324	0.4
128.61548	0.2
134.06102	0.3
141.09222	2.7
143.03520	0.3
143.10814	0.8
155.10791	1.6
157.08713	0.4
159.10268	33.0
160.04047	0.3
160.10628	1.1
161.04561	0.5
179.05504	0.4
193.04971	0.4
201.11351	1.1
215.11855	0.3
227.03337	0.3
241.09857	0.4
253.09610	0.4
255.03023	0.4
257.12860	0.4
269.09247	0.3
271.02429	0.3
279.07864	0.4
281.05899	0.3
281.09265	0.6
285.04016	0.5
295.10901	0.6
300.02588	0.3
309.08810	0.3
315.05273	0.3
321.15524	100.0
322.15866	6.1
341.11740	0.3
394.39337	0.2
657.25134	0.3
787.28552	1.9
788.28125	0.4
805.29321	0.9
819.31042	1.9
820.31665	0.7
837.32056	0.8
967.34918	0.6
999.37274	0.6
1000.37085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5923
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95909	41.9
88.50112	1.0
96.96986	2.3
97.76787	0.9
98.20667	1.8
101.88161	1.0
113.40496	0.9
122.00056	0.9
140.01164	5.0
152.99585	7.0
171.00702	4.9
196.03796	8.5
209.38493	1.1
214.04881	2.3
222.73685	1.0
229.88664	1.3
279.23282	93.6
280.23654	7.7
400.58282	1.0
465.69760	1.1
476.27826	100.0
477.28146	9.3
706.98077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30480	2.5
78.95901	7.0
118.94148	0.3
119.10152	0.3
122.00176	0.3
140.01166	1.9
152.99579	0.9
196.03777	1.1
214.04814	2.5
279.23273	100.0
280.23630	6.6
476.27802	44.4
477.28094	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	991.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	37.0
71.61429	0.9
71.75539	0.9
72.99306	3.9
73.02938	6.9
75.00880	1.0
77.37519	0.8
83.01387	4.8
85.02956	14.7
86.00083	0.9
87.00893	4.4
89.02455	14.0
95.01374	3.9
97.02950	1.8
99.00883	3.6
101.00699	0.8
101.02442	27.4
111.00887	4.1
113.02452	13.5
119.03509	5.3
125.02441	2.4
129.01920	1.3
143.03502	2.7
148.21169	0.8
159.03018	1.6
161.04541	3.6
171.13878	1.7
179.05753	1.1
193.05003	0.9
205.03923	0.9
343.28537	1.9
505.33823	3.6
578.87488	1.2
649.37817	1.4
667.38855	2.6
811.43170	4.3
829.44189	14.9
830.44519	2.3
991.49640	100.0
992.50018	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	993.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	2.5
72.99276	0.7
76.54166	0.7
83.01390	2.2
85.02950	3.6
87.00915	1.1
89.02475	1.5
93.03435	0.8
95.01382	1.2
98.20592	1.5
99.00879	1.2
107.01392	5.4
108.02245	0.7
108.18770	0.7
109.02970	2.5
113.02462	6.9
115.00410	0.7
116.53716	0.7
117.03543	0.9
121.02958	2.3
125.02471	0.9
134.03673	0.8
143.05057	1.0
145.02895	0.9
148.01602	1.1
149.02432	1.6
151.00380	21.0
153.01910	1.2
157.03017	1.0
159.04517	0.9
161.02386	1.0
163.04037	1.0
164.01166	1.1
169.01382	1.1
171.04469	2.0
173.02422	1.1
175.00380	2.3
175.02466	4.6
175.03946	1.6
176.01073	2.3
176.42482	0.7
178.99872	4.3
179.05579	0.8
179.34383	0.8
183.04546	0.7
190.02768	1.4
191.03427	2.0
193.01501	1.2
193.05080	0.9
199.03879	5.0
201.01961	1.9
203.03535	0.9
205.05069	1.0
215.03534	3.0
226.02730	2.2
227.03461	6.2
229.05026	0.9
234.38382	0.8
240.86212	0.7
243.02953	5.7
255.03014	6.6
256.03476	1.2
269.04440	1.6
271.02463	77.0
272.02826	4.8
273.03976	0.9
282.01413	0.8
283.02472	1.8
284.03305	1.8
285.04041	37.0
286.04434	3.1
299.01965	100.0
300.02667	33.4
301.03513	44.2
302.03867	2.7
313.03510	1.3
314.04324	1.5
315.05167	10.7
329.02756	0.9
353.08829	0.9
414.01334	0.7
461.07162	5.6
462.07626	0.9
625.14197	5.1
668.13580	6.0
669.14575	21.8
670.14783	3.1
993.25104	64.0
994.25470	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	976.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.23681	80.2
71.24001	73.1
85.23851	65.3
110.35313	65.8
121.53259	58.1
132.27939	67.8
168.79092	58.2
302.76669	72.5
304.78250	61.7
452.44659	64.6
507.33728	83.5
633.99927	73.2
754.72620	62.3
766.31879	74.7
853.91968	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	982.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16868	1.6
78.95465	1.3
78.95905	20.9
96.96946	1.6
150.98210	0.7
151.18964	0.7
152.98347	1.6
152.99591	29.8
166.00984	0.7
166.52654	0.7
171.00641	1.5
179.18295	0.8
202.81984	0.7
227.03201	2.1
233.02136	0.9
245.04329	1.1
253.72374	0.9
277.21710	76.2
278.22018	5.4
279.23300	3.7
309.20511	1.3
344.30698	0.8
365.15372	0.9
476.27673	2.7
477.27927	0.9
505.25726	100.0
506.26019	8.5
764.33887	0.9
899.08209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90548	14.9
74.74513	14.1
80.62578	16.1
89.02460	16.6
99.92529	17.6
102.55206	14.5
113.21413	16.3
116.92859	73.4
173.46130	16.8
190.37003	17.0
229.52950	21.1
275.20169	33.3
277.21759	78.1
293.21277	100.0
356.64975	16.0
379.12433	22.7
397.13358	77.0
500.40399	18.4
987.54407	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85140	1.8
69.85546	2.9
70.27564	0.7
71.01385	22.2
72.99325	2.4
73.02969	1.2
80.05071	0.8
83.01376	1.2
85.02955	7.0
87.00867	1.4
89.02452	16.4
94.06618	1.1
95.01402	2.6
98.20601	1.0
99.00874	0.7
101.02445	11.1
103.96231	0.8
104.24648	0.8
106.06630	4.8
107.03789	1.5
110.79790	0.8
112.54798	0.7
113.02454	6.1
117.90089	0.8
119.03502	3.6
120.08185	3.7
122.06134	14.5
128.19682	0.7
129.65285	0.8
132.04541	1.3
134.06126	35.3
136.07677	1.3
149.37862	0.7
152.07198	6.0
158.06039	0.8
160.04066	1.5
161.04742	1.3
165.01877	0.7
174.05629	2.2
189.71823	0.8
190.05148	1.5
192.06526	0.9
195.06723	1.1
211.08722	1.0
213.10330	2.3
215.11894	1.8
221.10765	1.3
223.08737	2.7
224.09514	1.0
225.10310	2.9
226.11066	1.1
227.11810	1.4
235.12410	0.9
236.09471	1.1
237.06615	1.0
237.10281	4.6
238.10951	2.1
239.11865	5.7
241.08136	0.7
241.13435	2.7
243.15071	1.1
249.06671	0.9
249.10471	1.1
250.11305	0.8
251.08286	4.6
251.11893	3.5
253.09669	1.0
263.08240	3.4
263.11703	1.5
264.09018	4.5
265.09723	6.1
266.10522	0.9
267.11307	2.0
269.12976	1.0
276.08875	1.0
277.09860	4.2
278.10526	1.3
279.11371	11.6
280.11917	1.9
281.12915	2.3
283.10718	0.9
285.12411	2.2
291.07843	1.2
291.11365	2.3
292.08450	1.8
292.11862	0.7
295.11084	1.5
297.12469	0.9
305.09396	2.1
307.10907	2.8
307.73633	0.8
314.12466	2.1
323.10129	2.3
325.11807	0.8
337.11850	2.4
342.16177	1.7
346.15414	1.3
358.19321	1.7
359.16461	2.2
360.17072	4.7
361.17563	1.0
370.11646	1.2
370.15527	1.2
371.16406	1.6
372.13156	1.0
372.17422	1.6
373.14169	1.1
384.12967	1.0
384.17319	4.0
385.14069	0.8
386.14719	5.5
386.19293	1.7
387.15247	1.0
398.14865	1.1
399.15671	1.1
400.16623	1.6
402.18198	2.8
412.16797	1.3
414.18289	1.7
426.18182	1.0
428.15860	3.9
430.17822	0.9
440.15894	1.2
446.17078	0.9
448.19803	0.8
459.17691	1.6
460.18793	3.0
472.19046	1.4
490.20029	2.1
493.22583	0.9
496.68787	0.8
517.18518	0.8
541.50165	0.8
564.23358	2.8
565.23895	1.3
566.25110	0.9
606.03894	1.1
606.24640	3.2
607.25378	1.1
610.24066	1.8
643.24573	1.0
650.23407	2.3
651.24182	2.2
664.26001	0.9
666.26721	1.5
682.26300	2.9
687.30267	3.0
713.28400	1.5
729.31110	5.8
730.31726	1.3
737.28406	1.5
755.29230	10.0
756.29883	2.0
769.30811	2.2
773.30396	34.8
774.30542	7.4
787.31940	79.3
788.32318	14.2
805.33032	100.0
806.33344	21.7
829.32843	1.5
847.34540	5.5
935.34680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03060	55.3
78.16983	13.5
79.48866	10.3
94.12158	11.2
107.20236	11.6
161.55070	11.4
242.19576	10.6
271.87589	13.0
277.21725	100.0
298.04175	12.7
305.08850	11.6
366.64764	12.1
391.47830	13.3
397.13522	39.8
529.33008	11.4
670.55353	11.9
971.53979	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	22.2
72.99323	1.8
73.02958	2.4
83.01395	1.9
85.02961	5.3
85.06589	12.0
87.00890	2.4
87.01437	0.5
89.02444	26.4
89.21278	0.6
95.01386	2.4
95.89144	0.6
97.02950	0.9
99.00884	1.4
101.02449	16.3
113.02457	13.3
113.06097	4.3
115.07648	1.6
117.03477	1.0
119.03510	11.4
119.55467	0.6
120.29986	0.7
125.02464	1.3
126.91888	0.8
127.07675	1.9
131.03513	2.7
131.07144	47.8
132.02190	19.0
132.07498	0.8
134.03751	10.1
143.03513	2.4
149.04581	1.3
149.06081	2.0
160.01660	82.2
161.02005	2.6
161.04567	6.6
173.08160	1.1
175.04004	88.5
176.04411	4.6
179.05608	24.6
191.07117	2.6
192.08437	0.7
192.70500	0.6
193.05048	19.0
194.05434	0.7
194.71483	0.7
207.06635	1.6
217.05067	5.2
221.06650	2.3
222.47455	0.7
235.06099	12.7
235.08287	1.1
241.58188	0.8
247.06087	1.5
263.07663	1.0
265.07104	2.0
293.12421	100.0
294.12766	5.1
295.08246	1.0
305.08749	2.3
337.05658	0.7
337.09308	1.9
355.10361	15.5
355.14621	1.1
356.10797	1.2
397.11404	47.9
398.11740	2.7
398.97678	0.6
439.12448	6.1
440.12735	0.7
455.76660	0.7
457.13480	2.4
487.53900	0.6
641.64996	0.9
661.19977	6.7
662.19733	1.1
679.20819	23.0
680.21136	2.2
730.45612	0.9
756.38342	0.8
768.78162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.686
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90882	0.4
69.86032	0.3
70.63387	0.8
70.63754	0.6
81.03458	6.1
83.05030	15.3
93.14403	0.3
100.07681	0.4
103.66527	0.3
104.87299	0.3
107.06186	0.5
108.04553	0.5
111.66364	0.3
124.08324	0.4
125.07171	1.0
126.05626	0.6
137.80247	0.3
143.08272	0.5
207.15018	1.5
219.03252	0.4
224.17688	2.2
225.13971	0.7
225.16086	10.0
242.18843	0.5
309.22028	0.8
333.22797	0.7
341.29077	0.9
367.27167	0.8
389.32098	0.4
433.31915	1.0
448.95459	0.4
450.34259	0.8
451.32874	7.5
452.33240	0.9
513.03497	0.4
529.34137	0.3
550.43799	0.4
567.45880	0.5
676.50934	0.5
677.49487	1.4
719.26056	0.4
776.60706	0.4
885.65808	0.5
903.66534	100.0
904.66809	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54429	35.6
69.56005	30.8
70.68953	97.4
79.53605	29.3
91.77332	32.8
103.92108	31.7
117.90842	30.6
174.82790	36.1
200.20854	32.5
211.13347	100.0
212.13689	71.4
277.21634	60.1
278.22141	44.5
334.86087	33.1
372.29156	34.0
397.13525	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.257
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95342	0.3
69.56149	0.4
69.56554	1.5
73.02955	0.4
83.01398	0.5
85.02965	0.7
89.02461	0.3
93.03430	0.4
101.02454	0.8
101.80078	0.3
107.01411	1.3
113.02431	0.5
125.89935	0.3
132.02176	0.5
135.00876	0.7
151.00381	2.8
159.04498	0.4
163.00368	1.0
164.01259	0.3
169.01421	0.5
171.04414	0.3
178.99831	1.4
183.04526	0.6
185.06068	0.4
186.76508	0.3
187.04012	0.5
197.05983	0.3
199.04013	0.3
208.48485	0.3
211.03949	1.0
213.05627	0.4
227.03502	26.5
228.03941	1.8
229.05080	1.9
239.03442	0.6
241.04916	0.3
255.02986	50.9
256.03555	5.2
257.04590	1.8
269.10300	0.7
283.02420	1.6
284.03262	74.9
285.03961	21.6
286.04413	1.0
309.04193	0.5
327.04944	0.6
351.04996	0.3
429.08182	1.3
609.14612	100.0
610.14923	13.1
725.43097	0.3
813.20721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89352	11.2
71.01380	6.1
80.34587	2.0
101.02463	3.9
109.03235	2.1
111.72117	1.9
112.49641	1.9
113.02496	2.9
120.08235	3.0
122.05078	1.9
122.06135	5.7
134.06125	9.7
145.41957	2.1
156.91917	1.9
162.49333	2.2
194.42885	2.0
265.09814	3.3
277.10049	2.6
279.11331	5.4
291.11136	2.5
379.71030	2.6
500.70279	2.6
569.97156	2.4
655.19666	2.1
753.24127	2.7
755.29388	3.6
773.30316	25.3
787.31970	6.0
805.33002	40.4
847.35114	3.5
905.67041	4.5
906.67108	11.5
964.23181	2.2
966.66205	100.0
967.66565	30.2
982.04382	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	967.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00820	0.6
70.72688	1.3
71.00986	1.0
71.01385	18.7
71.26984	0.4
72.01727	0.4
72.32131	0.5
72.99313	1.4
73.02944	1.6
73.76393	0.4
75.00903	0.5
83.01389	1.3
85.02960	5.3
87.00874	2.5
89.02446	11.4
91.89759	0.4
92.89374	0.5
94.06644	0.6
95.01392	1.2
98.20621	0.5
99.00891	1.2
101.02440	9.5
106.06633	3.3
107.03778	0.6
113.02440	6.6
116.92902	0.5
117.01118	0.5
119.03508	3.8
119.04981	0.5
120.08211	3.5
122.06133	9.6
125.02419	0.7
131.40106	0.4
132.04547	0.9
134.06125	26.0
135.06491	0.7
136.07695	1.2
137.02516	0.5
138.38710	0.5
139.02753	0.6
143.03496	0.6
145.05348	0.6
148.07603	0.5
150.05591	2.2
151.00266	0.8
152.05383	0.8
152.07198	6.1
159.81055	0.6
161.04567	1.9
162.05643	0.7
179.05586	0.9
190.05072	1.8
193.51997	0.5
196.54947	0.5
210.07890	0.8
211.08788	3.1
211.12437	0.8
213.10364	0.7
221.10951	1.2
223.08864	2.4
224.09570	1.1
225.10265	3.9
235.08769	1.0
236.06020	1.6
236.09496	0.6
237.06754	4.2
237.10292	2.8
238.11070	1.2
239.11861	3.6
241.13449	0.5
249.06621	0.9
249.10257	1.0
250.07437	2.6
251.08237	8.1
251.11855	3.1
252.08884	1.1
253.09856	0.9
253.13445	1.2
255.02884	1.4
263.08197	2.5
263.11810	1.0
264.09003	5.0
265.09747	8.3
266.10339	0.9
268.08307	0.5
269.09369	0.7
271.02597	0.5
271.10806	0.8
276.08978	0.6
277.09656	3.2
278.10440	1.6
279.11404	12.1
279.14401	1.0
280.12024	2.0
281.12946	1.3
283.10876	1.4
284.03223	2.0
285.04007	1.9
285.12592	0.7
291.08411	0.5
291.11383	3.0
292.08673	0.7
292.11957	1.3
293.09537	0.7
293.12808	1.0
295.10834	0.6
296.11563	0.6
300.02835	1.3
305.09344	1.7
306.09894	0.7
307.10828	2.0
311.13791	0.6
314.12469	1.6
323.10339	2.0
324.10913	1.2
325.11646	0.9
337.11942	0.9
338.12628	0.9
339.13342	0.6
342.12469	0.7
342.16138	1.0
344.14188	0.7
356.13889	1.7
357.14774	0.7
358.15582	2.0
358.19543	0.7
359.16312	0.7
368.14166	0.6
370.15604	1.6
371.16272	1.0
372.17108	1.7
382.11819	0.8
384.13113	1.4
384.17245	1.8
385.13690	0.8
385.18091	0.8
386.14682	1.0
386.18781	1.8
396.13455	0.7
398.14954	1.5
399.15707	1.5
400.16345	0.7
402.18307	0.9
412.16544	1.0
416.16086	1.0
426.18164	1.3
427.19131	1.3
428.15948	1.0
430.17615	2.3
431.18378	1.4
444.19467	0.8
462.20157	0.6
472.18997	1.3
488.18127	0.6
489.10574	0.8
490.19766	1.5
520.20703	0.6
564.22314	0.6
578.21216	2.9
579.22235	0.9
591.22955	0.6
592.22723	0.8
606.24402	1.9
607.24799	0.8
610.23859	1.4
611.25775	1.0
623.23993	0.5
628.10150	0.6
634.24115	0.7
650.23383	3.1
651.24237	3.6
665.25879	2.9
666.26416	0.6
682.26434	2.8
683.27252	3.4
692.49579	0.6
706.26062	1.4
707.26917	1.0
710.59515	0.5
729.31366	1.0
733.30707	0.8
755.28778	2.8
773.30383	19.8
774.30798	2.5
787.31903	26.3
788.32391	4.4
797.30029	1.2
805.33020	100.0
806.18317	1.1
806.33398	21.4
819.34167	2.5
829.33020	26.0
830.33459	5.4
841.33112	1.4
847.34180	7.2
848.34399	2.1
859.34039	1.3
871.34180	1.1
935.34711	0.8
967.38184	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	963.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98665	0.9
71.01382	1.9
83.01381	1.3
85.02961	1.3
90.16616	1.0
98.20717	2.3
107.01391	2.9
112.82333	1.0
121.02975	1.1
145.02934	1.2
151.00375	11.2
163.00362	1.6
178.99876	8.7
199.03993	2.1
226.02724	1.4
227.03441	2.8
243.02986	9.2
254.02190	2.1
255.02972	18.2
256.03336	1.2
271.02481	44.0
271.05420	2.3
272.02869	5.6
273.04202	1.5
297.97125	1.1
298.98572	1.4
299.01974	22.9
300.02756	100.0
300.36179	1.1
301.03433	23.2
323.13248	1.2
462.08017	2.4
483.90787	1.1
625.14124	21.4
626.14154	1.3
688.54169	1.1
787.19440	6.1
788.20288	1.4
801.17090	11.5
802.17426	2.2
919.14758	1.2
963.22644	21.3
964.21899	4.5
974.12939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59403	4.4
71.01373	2.9
72.99305	0.8
73.01195	0.7
83.01389	1.9
85.02953	2.3
87.00880	1.2
95.01396	0.9
99.00887	1.0
103.00381	0.7
107.01393	6.7
108.98061	0.6
109.02989	1.4
113.02464	2.6
121.02965	4.1
124.44872	0.6
125.02444	0.9
129.01987	0.7
132.02158	0.7
134.03722	0.8
145.50349	0.8
148.01750	1.2
149.02467	0.8
151.00372	30.0
152.00697	1.0
153.01904	0.6
160.01648	4.5
161.02066	0.8
163.00378	2.6
163.04048	0.8
164.01166	0.8
165.01991	0.7
169.01457	2.1
175.03969	4.1
176.04391	0.6
177.05392	0.7
178.99857	13.5
179.05554	1.4
186.12148	0.7
189.01852	0.7
193.01451	1.0
193.05078	1.0
196.22470	0.6
199.03978	1.6
209.00874	0.7
211.03934	1.1
216.04329	1.0
226.02724	1.4
227.03564	3.6
229.05138	0.8
243.02969	10.7
244.03386	1.5
245.04382	1.0
254.02104	3.1
255.02980	21.7
256.03516	1.5
257.04510	0.9
271.02463	55.3
272.02954	5.7
273.04044	2.0
283.02530	1.1
284.03305	1.0
285.04150	1.0
299.01950	16.4
300.02747	100.0
301.03497	76.2
302.03925	4.3
313.03488	1.3
314.04163	0.6
332.90015	0.6
342.03802	1.2
343.04565	2.2
354.79675	0.6
397.11533	1.5
462.08096	1.6
463.08627	4.0
625.14075	23.3
626.14551	2.6
639.12567	0.8
787.19476	19.1
788.19995	3.3
801.17249	19.4
802.17865	2.2
843.18445	1.8
963.22491	36.2
964.23859	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	961.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.9
73.02956	0.9
75.00885	1.1
83.01398	1.1
85.02954	6.8
87.00871	1.3
93.03430	1.4
94.33841	0.7
95.01376	2.0
95.55547	0.7
99.00871	2.3
103.00343	1.6
107.01379	3.7
108.81192	0.8
109.02933	1.0
111.99566	0.8
113.02465	9.0
115.00359	1.0
117.03448	1.5
119.04978	0.9
132.02190	4.4
133.02950	1.5
134.03754	7.9
135.00865	1.6
135.04512	0.9
145.02991	2.8
149.06113	1.9
151.00351	7.6
159.04549	1.5
160.01651	16.8
161.02390	3.2
163.00377	2.7
167.05014	1.2
168.15266	0.8
171.04491	1.5
175.02441	2.1
175.03955	12.2
183.04338	0.8
185.06126	1.0
187.03999	2.5
189.05638	1.3
193.05038	6.6
197.06070	0.9
199.03946	1.1
211.03954	1.7
213.05525	1.3
214.02733	1.0
227.03488	30.8
228.03889	2.1
229.04990	8.2
230.05273	1.1
239.03535	1.1
240.04228	0.9
241.05003	2.6
243.02988	1.7
255.02975	65.2
256.03580	9.9
257.04562	7.4
267.02859	0.9
271.02536	1.6
283.02405	3.0
284.03253	79.2
285.04022	73.2
286.04462	4.4
299.01968	1.4
299.05527	1.2
300.02765	1.9
314.04297	1.1
315.05124	2.5
327.04910	1.3
499.14774	1.2
591.13629	2.2
609.14258	2.5
785.19293	100.0
786.19641	19.3
806.55298	0.8
929.23181	0.8
961.22620	21.2
962.23145	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	961.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01907	0.6
71.01389	6.6
75.00892	1.8
80.18723	0.7
83.01381	1.8
85.02950	6.9
87.00878	1.9
89.02455	0.9
93.03465	1.7
95.01407	2.3
98.19827	1.6
99.00872	3.2
101.02456	1.0
103.00346	0.9
107.01389	3.8
109.02963	0.7
113.02457	8.9
115.00379	1.0
117.03460	1.2
125.02428	0.7
129.01944	0.8
132.02179	4.5
134.03741	11.1
135.00868	1.7
135.04454	0.8
137.02431	1.3
143.05013	1.1
145.02956	0.9
149.06058	1.1
151.00383	7.8
159.04486	1.1
160.01663	19.8
161.02437	4.0
161.04530	0.6
163.00362	2.3
164.01160	1.2
167.04958	0.9
169.01453	0.7
169.06546	1.4
173.06035	0.7
175.02490	2.0
175.03986	16.5
178.02705	1.5
179.03476	1.1
183.04596	1.1
185.06046	1.8
187.04008	2.0
193.05072	8.7
195.04477	1.0
200.04787	0.8
201.05629	0.7
211.03966	2.8
213.05539	1.4
217.05008	1.0
227.03494	35.7
228.03799	2.1
229.05051	9.6
239.03473	1.7
240.04247	1.0
241.05101	1.5
255.02975	70.4
256.03601	11.2
257.04538	6.8
258.05173	0.8
268.03714	0.8
283.02405	4.0
284.03256	100.0
285.04013	83.1
286.04401	3.5
289.18192	0.6
298.04770	0.8
299.05603	1.9
327.05066	2.0
329.05624	0.6
336.48203	0.7
499.14023	1.0
591.13727	3.4
609.14551	1.9
785.19324	99.8
786.19702	18.9
961.22473	19.1
962.22797	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	961.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	13.3
73.02943	2.1
81.03458	1.1
83.01392	1.4
85.02934	2.2
87.00874	4.0
89.02444	14.4
97.02972	2.3
99.00887	0.9
101.02465	10.7
106.23000	0.9
107.46796	0.8
113.02459	6.5
116.92838	0.9
119.03490	3.5
125.02445	5.4
131.03455	0.9
132.01463	0.9
143.03496	2.2
161.04581	3.8
179.05588	3.5
183.13922	6.7
193.12273	1.2
211.13396	100.0
212.13649	4.3
212.18179	0.8
217.07248	1.0
219.05481	0.9
235.08301	4.9
277.21725	45.9
278.22079	3.3
287.08038	1.3
305.73499	0.8
379.12421	9.9
397.13525	36.2
398.14142	1.3
415.14645	5.6
591.26392	10.3
609.27673	10.5
657.34888	2.2
675.35968	2.7
675.68152	1.1
788.76331	1.2
869.49335	1.5
941.44574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	0.8
71.01002	0.7
71.01387	14.2
72.99316	1.7
73.02943	2.3
78.95901	1.4
83.01395	1.5
85.02956	3.7
87.00872	2.5
89.02444	13.5
95.01367	1.2
97.02969	1.8
99.00885	1.0
101.02449	12.2
113.02471	4.5
113.09717	1.4
119.03506	3.5
125.02444	5.4
143.03526	1.8
152.99562	1.8
161.04626	1.9
166.78609	0.9
179.05629	1.8
179.14433	0.8
195.13930	14.6
216.32794	0.7
235.08162	4.7
253.09364	1.0
255.23296	35.2
256.23682	1.7
277.21716	13.3
278.01575	0.7
287.07608	1.3
291.11850	0.8
295.22781	100.0
296.23059	6.5
305.08826	2.9
397.13498	63.7
398.13873	3.2
415.14563	17.2
416.14703	1.0
653.37549	4.7
970.36859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.459
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96494	21.7
71.01366	100.0
71.01721	22.6
71.39444	22.8
73.02947	32.4
85.02970	67.9
87.00883	30.6
89.02459	63.1
101.02474	39.8
121.41856	25.3
165.30711	28.1
172.98402	27.7
179.44084	25.9
217.01791	25.9
271.15527	28.3
319.92401	26.5
411.80142	26.3
731.24353	28.9
890.47534	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	0.3
68.99802	0.2
69.75510	0.2
71.01384	3.6
72.99322	0.8
73.02935	0.2
75.00878	1.4
83.01385	0.4
84.02176	0.2
85.02955	8.5
87.00897	1.1
89.02455	0.8
93.03434	0.8
95.01391	2.6
99.00887	2.5
101.02464	0.3
103.00385	1.3
107.01379	0.6
109.02969	0.2
111.00867	0.2
113.02454	17.8
114.02791	0.5
115.00351	0.6
116.92889	0.2
117.01959	0.8
117.03481	0.3
129.01936	0.5
133.02975	0.2
135.00826	0.2
137.02490	0.4
139.00356	0.3
143.04987	0.4
145.02966	0.3
148.64857	0.2
151.00398	0.9
154.04230	0.4
155.05061	0.2
157.01506	0.4
157.06500	0.3
159.04532	0.4
161.02425	0.3
163.00381	0.3
164.01146	0.3
165.01849	0.4
167.05017	0.3
169.06609	0.8
171.04547	0.3
173.02451	0.3
175.02481	11.8
176.02773	0.4
185.06093	1.1
187.04082	0.8
195.04504	0.3
199.04015	0.2
201.05612	0.2
211.04120	0.4
213.05595	0.6
214.02623	0.4
217.04947	0.2
227.03511	0.4
229.05096	0.9
233.99303	0.2
239.03445	0.7
241.04921	0.3
243.03026	0.6
255.03026	0.4
256.03662	0.2
257.04541	0.7
268.03702	0.2
284.03403	0.3
285.04047	100.0
286.04395	7.0
358.08585	0.2
401.91141	0.2
403.43713	0.2
461.07266	16.0
462.07568	1.6
904.52985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	1.9
85.02970	0.5
89.02431	0.5
91.01869	0.5
93.03479	1.1
95.44142	0.4
101.02441	0.7
107.01392	3.7
109.02927	0.4
113.02442	0.5
117.03436	0.5
119.82050	0.4
124.98798	0.4
125.02416	0.4
132.02162	5.7
133.02934	1.2
134.03740	4.1
135.00880	1.4
147.04509	0.5
149.06096	0.5
151.00374	7.7
152.01079	0.5
159.04544	0.9
160.01660	12.7
161.02463	2.7
161.04449	0.4
163.00360	1.6
164.01147	0.9
169.01414	1.1
169.06609	0.5
171.04451	0.5
175.04010	7.6
178.02730	0.4
178.99849	1.8
183.04535	1.8
184.61044	0.3
185.02464	0.9
185.06123	0.9
187.03990	1.0
193.04996	1.9
197.06010	0.5
199.04012	0.7
200.04715	0.5
211.03963	3.1
212.04738	0.9
213.01848	0.5
213.05565	1.4
217.05029	0.5
227.03505	49.3
228.03952	3.3
229.04999	3.5
239.03528	1.6
240.04381	0.5
241.05083	0.6
255.02989	91.6
256.03561	11.0
257.04562	3.2
283.02490	4.6
284.03259	100.0
285.03979	35.0
286.04294	2.4
298.04745	0.8
309.03967	0.8
327.05258	0.5
335.76343	0.4
339.04984	0.5
393.06180	0.6
403.71185	0.4
457.90149	0.4
591.13379	0.8
661.20258	0.4
753.18854	7.2
754.18744	1.0
771.19812	8.9
772.20471	1.2
785.20728	1.3
947.24597	39.6
948.24976	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	947.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61747	0.1
78.95909	20.3
96.96937	0.2
106.54388	0.2
112.80622	0.1
117.79779	0.1
122.00142	1.0
122.98553	0.1
134.98573	0.2
140.01187	5.1
145.99290	0.1
152.99590	1.8
166.02742	0.3
175.02650	0.2
189.97154	0.1
196.03801	9.4
197.04103	0.3
214.04848	1.7
220.37970	0.2
237.22308	0.2
255.23299	100.0
256.23645	6.6
444.10419	0.1
452.27832	78.6
453.28156	7.3
507.27451	0.2
607.19678	0.2
636.67535	0.2
834.60876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63551	3.4
74.52995	0.5
83.01398	1.6
88.08823	0.7
89.02468	0.8
91.01924	0.8
93.03429	0.9
95.01361	0.8
101.02460	0.9
104.54031	0.6
107.01388	4.1
109.03005	1.0
113.02458	0.9
117.03477	1.2
132.02177	7.2
133.02969	1.2
134.03729	5.7
135.00890	2.1
143.05045	1.5
145.29565	0.6
148.99153	0.6
151.00372	8.5
151.99329	0.6
152.34100	0.6
157.06618	0.5
159.04477	0.9
160.01660	17.0
161.02486	3.1
163.00357	1.9
164.01169	1.0
169.01295	0.7
169.06618	0.6
171.04419	1.1
175.03996	13.6
176.04214	0.8
178.99841	1.9
183.04485	2.0
185.02435	0.9
185.06091	2.3
187.04037	2.6
193.05063	3.8
195.04424	0.9
198.75197	0.6
199.03989	1.2
200.04723	0.6
211.03995	4.0
213.05608	1.4
227.03491	49.3
228.03915	3.4
229.05048	6.3
239.03517	1.5
240.04106	0.7
241.05112	1.4
255.02982	85.5
256.03580	11.2
257.04535	6.4
283.02521	4.1
284.03256	100.0
285.04016	60.5
286.04364	4.7
298.04654	0.7
299.05606	1.6
301.03351	0.7
370.03256	0.6
661.19415	1.1
753.18854	7.4
754.19116	1.2
767.51367	0.7
771.20020	11.0
772.20135	2.5
785.20941	1.6
947.24603	48.2
948.25165	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	947.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	3.5
71.31297	0.7
72.99316	0.8
75.00880	0.6
83.01385	1.3
85.02962	3.7
87.00879	0.9
89.02452	0.6
93.03461	1.7
95.01372	1.7
97.82700	0.6
99.00880	1.4
107.01395	3.1
109.02962	1.2
109.56879	0.6
113.02438	4.1
125.02462	1.0
132.02122	1.3
135.00888	1.7
143.05064	0.8
145.02977	0.7
148.29218	0.5
151.00389	6.7
157.06604	0.8
159.04446	0.9
161.02353	0.6
163.00334	2.3
169.01389	0.8
169.06618	1.1
171.04523	0.9
175.02525	0.8
175.03970	1.2
178.99905	0.8
182.62216	0.6
185.06090	2.8
187.03976	2.9
189.05490	0.9
197.06058	1.1
199.03969	0.8
200.27138	0.7
211.04016	2.4
212.04716	0.8
213.05498	2.9
227.03499	26.0
228.03876	1.9
229.05063	12.2
230.05283	0.7
239.03516	1.8
241.05029	2.6
243.02795	0.6
255.02986	44.8
256.03534	5.8
257.04498	7.8
267.02884	0.9
283.02576	1.3
284.03259	55.7
285.04031	100.0
286.04382	6.9
294.63873	0.7
299.05377	0.6
327.05011	1.8
771.19934	43.4
772.20282	7.5
923.18933	0.8
947.23132	19.9
948.24231	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	947.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06261	0.6
75.00873	0.7
83.01390	1.8
85.02949	4.6
87.00893	1.3
88.67291	0.6
93.03452	0.9
95.01411	1.8
99.00896	1.6
107.01379	3.2
113.02437	3.9
125.02454	0.6
133.02934	0.6
134.51459	0.5
135.00897	1.2
150.09311	0.6
151.00351	6.5
163.00380	2.2
169.01407	0.9
175.02481	0.8
178.99854	1.8
183.04477	0.9
185.06032	0.7
191.28139	0.5
199.04070	0.6
203.12405	0.5
211.04022	1.7
213.05594	0.7
227.03499	32.6
228.03902	2.0
229.05022	2.4
239.03485	0.7
240.03949	0.6
241.04919	0.6
255.02982	64.5
256.03525	8.1
257.04544	2.9
281.04419	0.7
283.02408	4.6
284.03256	100.0
285.03983	37.6
286.04291	2.6
309.04001	1.2
326.04291	0.6
327.05014	1.8
360.40015	0.7
591.13782	1.0
751.80371	0.6
771.19922	49.7
772.20166	9.8
947.23022	20.9
948.23059	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	947.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72475	0.5
70.00958	2.3
71.01370	2.5
72.99282	0.5
75.00864	1.0
82.02989	1.1
83.01373	0.5
85.02948	3.1
87.00874	0.8
89.02438	0.7
89.80389	0.5
93.03461	1.7
95.01376	1.2
99.00893	1.4
107.01410	3.1
109.02953	0.9
111.30782	0.5
113.02466	2.9
116.85419	0.5
117.03479	0.6
119.05018	0.7
125.02438	0.7
132.02159	1.1
135.00871	1.6
143.04993	1.0
145.02982	0.6
151.00391	3.4
159.04536	1.5
160.01627	0.7
163.00385	3.3
165.01970	0.9
167.04988	0.7
169.01305	0.7
169.06596	1.5
171.04518	1.2
173.06122	0.6
175.02496	1.0
175.03999	1.6
176.87256	0.4
177.05672	0.5
179.05591	0.7
185.06113	2.6
187.03973	3.9
189.05597	1.7
195.12025	0.5
196.05190	0.6
197.06038	1.3
199.04002	1.0
201.05492	1.3
211.04068	2.9
213.05502	3.1
220.09926	0.7
227.03497	16.1
228.03833	1.4
229.05052	15.1
230.05353	0.7
239.03523	2.2
240.04279	1.1
241.05035	1.6
255.02989	26.0
256.03644	3.6
257.04590	8.6
264.28888	0.5
266.10318	2.6
267.02982	0.9
283.99948	0.5
284.00687	0.4
284.03247	24.0
285.04041	100.0
286.04376	6.9
300.02710	0.7
327.05341	0.8
389.57962	0.5
771.19904	42.0
772.20270	6.0
854.27484	0.6
947.23218	15.2
948.23846	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	947.232
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	4.4
71.37611	3.1
72.67634	1.8
83.01405	2.0
85.02934	6.1
89.02469	2.5
93.03411	2.0
93.57104	1.9
99.39187	1.8
107.01403	3.4
113.02441	5.9
135.00841	2.4
151.00337	5.0
151.01520	2.1
161.02408	5.2
163.00421	2.4
185.06042	2.5
187.03946	2.1
189.01881	2.0
227.03499	23.3
229.05023	10.1
230.05415	2.5
241.04854	2.4
255.02950	42.1
255.05385	3.4
256.03479	4.3
257.04465	6.4
283.02539	2.1
284.03253	46.0
285.04025	100.0
286.04358	5.2
300.02600	3.6
447.09354	8.0
609.14960	10.1
771.19196	28.2
772.20557	4.6
785.17334	5.2
844.75378	2.0
947.22894	17.0
948.23572	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	947.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91711	4.8
71.01387	5.5
72.99309	1.7
75.00844	1.4
75.11585	0.9
79.27806	1.0
83.01389	2.4
85.02962	7.7
89.02431	2.1
93.03482	1.0
95.01377	2.2
98.19917	1.0
99.00917	2.4
101.02431	1.8
103.00354	1.8
107.01388	3.9
108.11765	0.9
113.02450	7.7
132.02136	2.1
135.00867	1.6
135.46538	1.0
143.04996	1.4
151.00363	10.3
152.00864	1.0
160.01657	3.8
161.02486	1.1
163.00339	2.0
169.01376	2.1
171.04469	1.4
175.02458	2.4
175.03999	3.6
178.99846	2.8
183.04471	1.3
183.06567	1.1
187.03976	1.8
193.04967	1.2
211.04002	2.8
212.64786	1.1
213.05428	1.7
227.03488	34.4
228.03888	2.2
229.05002	6.5
241.05034	1.9
255.02975	73.9
256.03470	9.1
257.04593	6.5
269.04550	1.7
281.04263	1.3
283.02505	25.6
284.03247	100.0
285.04013	73.4
286.04315	4.1
327.05029	2.2
344.97659	1.1
447.09427	6.1
559.16449	1.4
609.14630	23.5
610.14990	3.0
702.99011	1.1
771.05725	2.0
771.19934	41.7
772.20410	7.6
785.17108	1.9
947.22876	23.2
948.23309	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	947.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73138	2.0
71.01389	2.4
72.99319	0.6
73.02940	0.3
75.00880	0.6
83.01395	1.0
85.02959	3.9
86.03369	0.3
87.00911	0.6
89.02451	0.6
93.02927	0.3
93.03452	1.8
95.01405	1.0
98.20548	0.5
99.00879	1.4
101.02452	0.7
103.00394	0.3
107.01387	2.1
109.02949	0.6
112.56004	0.3
113.02448	3.2
115.00373	0.4
117.03455	0.5
125.02473	0.6
133.03032	0.3
135.00879	1.3
135.04468	0.3
136.59863	0.3
137.02397	0.3
143.05011	1.0
145.02953	1.3
151.00374	4.0
153.01942	0.6
157.06567	0.9
159.04514	1.1
161.02461	0.6
163.00380	2.4
164.01151	0.4
165.01932	0.4
167.04970	0.6
169.01390	0.4
169.06563	1.0
171.04488	0.8
173.02347	0.5
173.06050	0.3
174.03358	0.3
175.02499	0.7
175.04004	0.6
182.03696	0.4
183.04460	0.5
185.06116	2.5
187.04013	3.1
189.05553	1.0
195.04492	0.9
197.06078	1.2
199.04033	1.1
201.05603	0.7
211.04060	2.1
212.04843	0.4
213.05557	2.6
227.03488	16.2
228.03998	1.2
229.05058	10.8
230.05379	0.6
239.03365	1.8
240.04195	0.9
241.05046	2.0
255.02991	23.6
256.03610	3.4
257.04559	7.1
258.04749	0.4
265.58316	0.3
267.02966	0.9
283.02533	0.5
284.03278	21.1
285.04047	100.0
286.04388	6.8
300.02826	0.4
327.05124	0.9
337.07904	0.4
461.07242	0.5
554.03418	0.3
609.14905	0.6
623.12909	0.4
695.48151	0.3
771.19873	28.1
772.20062	4.1
947.23175	9.8
948.22803	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	947.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89252	1.0
71.88128	0.6
73.02956	0.7
75.00884	0.9
75.71465	0.5
78.35840	0.5
83.01396	1.4
85.02957	5.1
87.00912	1.0
89.02456	0.6
93.03472	0.7
95.01389	1.7
99.00894	1.2
100.64964	0.5
107.01400	3.2
113.02439	5.1
116.68639	0.6
119.01355	0.5
135.00877	0.8
143.05037	0.7
151.00394	7.5
152.01115	0.9
163.00377	1.8
165.74109	0.6
167.05078	0.8
169.01427	1.5
175.02417	0.9
178.99841	1.8
183.04582	0.9
185.06046	1.0
187.04021	0.9
189.05705	0.6
192.41801	0.5
199.03954	0.6
205.11810	0.5
209.84915	0.5
211.04033	1.1
213.05536	1.1
227.03493	33.5
228.03857	2.6
229.05003	4.2
239.03386	1.0
239.07364	0.5
241.04991	1.0
255.02992	66.0
256.03574	7.0
257.04568	4.2
281.04587	0.7
283.02472	4.7
284.03268	100.0
285.03989	35.5
286.04428	3.4
309.04037	0.9
327.05032	1.4
341.33450	0.6
591.14233	0.7
723.45276	0.6
771.19940	56.2
772.20105	9.6
947.03687	1.1
947.23077	20.0
948.23566	4.1
967.21667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.21
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	5.1
71.60999	0.7
73.02948	0.8
83.01405	1.9
85.02962	2.4
87.00891	1.0
89.02440	1.5
89.87906	0.7
95.01414	0.8
99.00886	1.2
101.02448	2.3
106.69810	0.8
107.01395	5.3
108.02195	1.6
109.02927	1.7
113.02461	3.3
115.00316	1.0
117.03471	1.9
119.05022	2.4
121.02962	2.7
145.02945	5.4
148.01637	0.9
149.02280	0.7
151.00380	18.4
152.43195	0.7
153.09200	2.4
159.04442	0.8
161.02455	1.2
161.04564	0.7
163.00368	2.8
163.04034	1.2
164.01120	0.9
175.03903	1.6
178.99869	7.1
183.04564	0.7
187.03973	0.9
193.05061	1.2
199.03978	1.2
199.87027	0.9
211.03975	1.2
217.14175	0.7
226.02798	1.1
227.03476	3.1
228.04012	1.0
243.02966	10.4
254.02193	2.4
255.02985	29.7
256.03534	1.9
271.02478	57.5
272.02939	5.1
273.04089	1.1
283.02518	2.3
284.03250	2.7
285.04074	5.4
299.02017	3.1
300.02756	100.0
301.03482	39.8
302.03873	2.4
313.03333	1.1
343.04352	1.3
428.20102	0.9
429.20917	2.2
477.06528	0.8
607.13275	4.1
623.14160	1.0
625.14185	1.7
771.17798	56.1
772.18201	11.0
947.21002	16.2
947.38080	0.6
948.21344	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	943.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69358	1.2
71.01393	6.5
71.60474	1.6
72.99316	2.4
80.50851	0.9
89.02466	4.0
101.02464	2.7
113.02421	1.2
114.93421	5.6
117.03489	1.3
119.03445	1.6
119.75956	0.9
132.02168	2.1
133.02957	30.3
135.04529	12.4
140.25381	1.1
161.02446	100.0
162.02782	3.4
167.77267	1.0
168.61682	1.0
179.03514	11.5
179.05585	2.5
203.03471	2.4
383.09769	2.8
606.35559	1.1
665.19556	12.7
666.18921	1.7
827.24048	5.7
943.25616	13.2
944.25995	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	945.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27962	1.0
69.28394	1.3
78.95905	60.5
80.96658	0.3
96.96968	6.1
104.36030	0.2
146.42610	0.3
150.98042	1.9
152.99590	100.0
153.99934	1.6
169.99422	0.3
171.00650	4.3
209.11861	1.1
236.22701	0.3
277.21695	1.1
277.69254	0.3
283.20059	0.3
302.02689	0.3
397.13498	0.4
431.22018	40.4
432.22275	4.3
523.45380	0.3
623.72321	0.3
624.89539	0.3
736.80975	0.4
830.41400	0.3
958.53192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27288	7.5
69.27695	1.1
71.01383	5.4
76.27380	0.8
83.01390	1.5
85.02956	5.4
87.00878	1.1
89.02465	1.7
93.03454	1.1
95.01372	2.8
96.86141	0.8
96.95989	1.3
99.00880	2.2
101.02444	2.6
107.01385	5.6
108.02187	1.8
109.02918	2.4
113.02449	4.5
117.03481	1.7
119.05003	1.8
121.02924	2.4
125.02442	2.5
132.02171	2.6
133.02965	27.9
134.03693	2.0
135.04527	27.5
136.04866	1.0
137.02415	0.9
145.02951	4.2
148.01659	1.4
151.00378	15.9
153.32076	0.8
159.04573	1.5
160.01668	1.8
161.02452	66.3
162.02785	2.8
163.00374	3.3
163.04007	1.4
169.01378	1.0
175.02533	1.2
175.03996	1.9
178.99873	4.2
179.03505	15.7
185.06065	1.8
187.04008	2.0
191.03592	0.9
199.03967	1.4
211.03989	2.2
213.05550	1.8
226.02718	1.3
227.03499	20.1
228.03876	1.7
229.05101	5.9
239.03377	1.0
241.05103	1.6
243.02884	7.9
251.73804	0.9
254.02180	1.9
255.02988	50.2
256.03491	5.4
257.04587	4.4
271.02475	44.2
272.02866	4.2
283.02359	2.6
284.03253	34.9
285.04044	54.2
286.04303	3.2
299.01950	2.6
300.02759	80.5
301.03448	22.5
302.03665	1.3
361.68347	0.9
419.98038	0.9
485.12979	10.4
597.84845	0.9
607.12787	3.0
609.14185	2.7
619.42212	0.8
753.18103	1.1
771.17810	100.0
772.18073	19.9
899.33563	0.9
921.81873	0.9
947.21295	23.8
948.21802	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	939.6417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63670	0.6
68.12336	0.6
69.54140	1.6
69.54562	2.5
71.01384	1.6
71.51928	0.5
83.05028	1.1
89.35696	0.5
111.76131	0.6
113.02400	0.8
113.78075	0.6
160.83315	0.6
177.01939	0.6
225.16096	0.8
260.76501	0.5
284.26505	0.5
315.84778	0.5
368.03674	0.6
451.32700	0.7
621.64764	0.6
727.32428	0.6
903.66852	2.8
909.28180	0.6
939.64191	100.0
940.64404	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63915	3.4
89.02427	0.5
98.19877	0.7
101.02458	0.7
106.81287	0.4
107.01398	0.5
107.07907	0.5
113.02438	0.7
125.02496	0.6
139.17744	0.5
151.00368	1.9
153.01955	0.6
178.99886	0.7
211.04027	0.7
227.03500	31.5
228.03868	2.5
255.02986	39.7
256.03598	5.9
257.04410	0.9
284.03275	47.5
285.03958	13.4
327.05087	0.6
447.09341	100.0
448.09656	11.3
639.15723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2521
Annotation	Kaempferol 3-sophorotrioside-7-glucoside
Peak:m/z	Relative Intensity
65.00338	1.7
70.17359	4.1
83.01379	1.0
85.02940	0.9
88.19131	0.8
88.98811	7.6
89.02446	1.2
93.03510	1.3
101.02470	1.8
106.42324	0.7
107.01423	2.9
116.92848	1.2
117.03509	1.1
132.02203	2.4
151.00365	5.6
159.04477	0.9
160.01645	5.9
161.04489	1.2
163.00415	1.4
169.01439	1.2
175.04031	4.9
177.74150	0.9
178.99876	1.5
179.05583	1.5
183.04510	2.7
185.06171	1.2
193.05049	1.1
199.04129	1.0
211.03960	2.1
213.05586	1.2
227.03502	25.1
228.03882	1.8
229.05150	1.9
239.03436	1.5
255.02994	69.3
256.03476	6.4
257.04526	3.5
278.85370	0.8
283.02505	42.5
284.03265	85.0
285.04007	41.8
286.04446	2.8
327.05002	1.1
389.01410	1.0
413.70700	1.0
446.08612	3.5
447.09280	2.6
609.14832	9.6
771.19910	100.0
772.20197	16.8
772.33081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	1.9
71.01378	7.0
71.10237	2.2
71.20776	0.8
72.99328	0.9
73.51232	0.8
73.60155	0.9
75.00877	2.1
77.31354	1.0
83.01420	1.6
85.02961	8.1
87.00889	2.2
89.02461	1.4
91.55210	0.9
93.03436	1.6
95.01378	1.6
99.00869	3.9
107.01385	5.5
112.99050	0.9
113.02448	8.4
117.01981	1.0
117.03465	15.8
119.05027	12.9
129.08009	0.9
131.95988	0.8
132.02168	1.4
135.00916	1.4
145.02954	40.4
145.04112	2.0
151.00374	9.1
159.04599	1.2
163.00414	2.8
163.03995	9.7
167.04936	1.5
169.06566	1.6
175.02451	1.0
176.60042	0.9
178.99847	1.6
185.06058	2.7
187.04036	2.2
199.03958	1.9
201.05521	1.3
211.03978	4.3
213.05501	1.9
227.03505	40.9
228.04010	2.6
229.05023	8.6
239.03462	1.4
240.04187	1.0
241.04941	3.3
255.02980	74.8
256.03610	8.7
257.04553	7.7
269.04373	1.3
283.02536	3.1
284.03265	92.4
285.04041	93.1
286.04395	6.4
327.05206	1.7
591.13342	2.9
609.14453	3.1
755.18304	100.0
756.18671	19.6
820.05353	1.1
827.20520	1.4
931.21454	19.0
932.21533	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	931.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	1.2
71.60374	0.5
74.94216	0.3
85.02953	0.4
87.00908	0.4
88.98810	100.0
89.02448	0.8
89.99145	1.1
101.02448	1.1
113.02457	0.6
131.03526	0.4
132.02216	1.6
134.03734	1.2
143.03508	0.3
157.39682	0.3
160.01660	6.4
161.01993	1.1
161.04561	1.3
167.87842	0.4
172.37848	0.3
175.03992	7.2
176.04337	0.8
179.05653	2.0
193.05023	1.8
217.05049	1.1
218.05540	0.7
235.06079	1.6
242.17865	0.3
383.12091	0.4
517.15778	0.8
518.15948	0.6
532.29962	0.4
559.16614	3.3
560.17419	0.7
661.53949	0.3
841.26630	1.1
930.67236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30486	7.4
69.70474	0.7
71.01384	18.8
72.99301	1.0
73.02942	4.1
83.01393	1.6
83.18033	0.7
83.61095	0.7
85.02955	3.8
87.00880	3.7
88.73083	0.8
89.02453	18.7
96.23812	1.0
97.02960	1.0
99.92594	1.0
101.02450	18.9
113.02444	8.3
116.92867	10.7
117.03483	1.1
118.71147	0.8
119.03514	9.0
125.02415	4.7
131.03465	3.7
132.02173	28.2
134.03746	17.4
137.02448	0.9
143.03474	2.7
143.04530	0.9
149.04735	0.9
149.06091	2.7
150.79735	0.8
160.01660	100.0
160.83662	0.7
161.01976	4.2
161.04547	9.1
174.03207	0.7
175.04004	96.2
176.04417	4.9
178.02710	0.9
179.05615	27.1
191.07182	1.4
193.05051	22.6
194.05457	1.1
202.02792	1.2
217.05054	10.7
218.05370	1.0
221.06671	7.3
221.24327	0.8
227.05124	0.7
235.06047	3.9
247.06168	1.3
305.08841	1.2
323.09808	3.6
341.10849	12.8
355.10367	1.1
383.11978	6.2
397.11453	4.7
427.12494	3.2
457.13535	7.2
497.35092	1.0
499.14807	3.9
517.15753	7.4
559.16705	29.1
560.17010	3.7
630.66766	0.8
841.26245	11.6
842.26642	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	931.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	1.1
69.27869	11.0
71.01395	5.9
71.14560	1.1
73.02953	1.4
75.00853	1.9
83.01384	1.8
85.02950	8.1
85.19256	1.1
87.00882	2.1
89.02439	1.8
93.03465	2.1
95.01413	1.6
99.00897	3.4
107.01376	3.0
113.02465	11.6
117.03458	10.9
119.05037	9.7
143.05128	1.3
145.02956	35.5
151.00377	5.7
163.00348	2.4
163.03987	9.6
164.00970	1.5
175.02483	3.9
187.04115	3.0
199.04022	1.6
211.03966	2.4
213.05472	1.9
227.03497	31.7
227.50009	1.4
228.03905	1.7
229.05034	9.3
241.05020	2.1
255.02979	61.1
256.03595	7.8
257.04498	7.6
259.97281	1.3
283.02429	3.3
284.03262	86.2
285.04016	77.6
286.04321	4.6
294.06180	1.7
609.14832	3.7
755.18286	100.0
756.18738	18.9
931.21576	17.4
932.21729	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	925.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45925	0.5
70.19627	1.8
71.01382	2.8
73.02942	1.0
74.24969	0.5
79.95741	3.6
83.01397	0.6
89.02439	1.3
96.96011	100.0
97.02969	0.8
97.95986	0.7
99.00874	0.4
101.02433	3.2
107.19927	0.4
113.02450	1.3
117.03460	0.6
119.03463	0.5
125.02434	0.5
131.03522	0.7
132.02191	0.9
133.02959	16.2
135.04524	1.5
137.00421	0.5
147.76950	0.4
161.02441	41.1
161.04599	1.9
162.02805	2.3
179.03519	1.0
179.05681	0.6
203.03523	0.7
206.72495	0.5
214.64772	0.5
221.06673	1.3
268.99387	0.5
291.15918	0.5
307.47510	0.4
383.12003	0.9
545.15405	1.5
603.14185	0.5
809.23779	0.9
827.24719	12.5
828.24786	2.1
957.51898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	19.1
71.37984	0.9
71.38331	1.3
72.99301	1.6
73.02946	7.4
81.03468	3.6
83.01394	2.3
83.05037	8.7
85.02967	6.1
87.00877	1.8
87.29132	0.9
89.02448	9.1
94.56773	0.8
95.01363	1.6
95.54945	0.8
97.02940	0.8
101.02444	11.9
113.02464	9.0
119.03497	4.4
125.07153	1.1
143.03528	1.6
161.04581	5.1
179.05609	0.9
189.12866	7.9
207.13654	1.0
210.39713	0.8
224.17705	1.1
225.16193	7.6
333.22818	1.3
369.19150	15.2
370.19434	0.8
387.20190	16.2
429.21280	28.5
430.21387	3.9
433.31677	5.7
451.32880	100.0
452.33224	13.0
639.34534	0.9
716.68384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	0.8
69.69241	4.5
73.02940	0.6
83.01392	1.4
85.02966	1.5
87.00899	1.1
89.02456	1.7
89.47645	0.7
93.03436	0.7
96.01782	0.6
98.20618	0.8
101.02448	1.7
107.01378	3.2
108.02192	0.8
109.02979	1.0
113.02462	1.9
117.03484	9.7
119.03580	0.9
119.05039	7.9
121.02986	1.0
125.02444	1.0
132.02199	1.8
135.00868	1.1
137.95714	0.7
145.02965	19.1
151.00380	5.8
152.01126	1.0
153.01997	1.1
161.04570	1.0
163.00410	1.5
163.04025	2.5
164.01187	0.8
169.01414	1.1
178.99875	1.8
183.04552	1.4
185.06126	0.9
185.29727	0.7
187.04045	1.5
188.04710	0.9
189.05534	1.2
193.05002	1.1
199.03937	1.0
201.18452	0.7
203.07101	1.1
211.04024	1.8
212.04561	0.9
213.05699	1.1
227.03500	45.5
228.03903	2.7
229.05055	3.8
239.03549	1.6
243.02975	0.8
255.02989	85.7
256.03516	10.5
257.04636	4.2
271.02377	1.0
281.04364	1.0
281.35730	0.8
283.02441	4.0
284.03265	100.0
285.03958	36.2
286.04346	2.8
300.02728	1.6
315.04959	1.1
383.06259	0.7
393.06192	0.9
591.13702	1.1
697.16498	1.4
753.18677	4.7
754.18719	1.0
771.19873	10.3
772.20306	2.4
917.23456	41.5
918.23785	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.7
69.03449	0.7
69.81635	0.9
69.82047	2.0
71.01381	4.8
73.02951	1.1
81.03455	11.2
83.01410	0.7
85.02949	2.0
89.02438	2.8
90.41850	0.4
93.03461	2.6
95.01384	0.9
97.02943	0.7
98.20509	0.9
99.00846	0.5
99.36853	0.5
101.02470	3.8
105.03492	2.3
106.04220	1.3
107.01370	1.8
108.02181	0.7
109.02954	0.9
113.02425	2.1
117.03416	0.5
119.03497	1.2
121.02951	1.0
123.04527	37.1
124.04848	1.4
125.02408	1.9
137.02408	0.5
138.03178	0.6
145.02960	0.5
149.02444	17.9
150.02769	0.7
153.01930	1.1
161.04581	0.7
183.07993	0.7
185.06081	4.1
211.07585	1.8
221.06633	0.5
227.07175	4.6
229.08688	25.2
230.09036	1.2
255.06627	51.1
256.06958	3.3
273.07684	20.9
274.07983	0.9
310.89890	0.5
315.08759	7.7
316.09094	0.8
338.07504	0.5
543.75446	0.4
555.89392	0.5
597.18243	100.0
598.18622	16.0
639.19312	1.0
790.58765	0.5
921.28296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2356
Annotation	Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]
Peak:m/z	Relative Intensity
65.00319	1.9
69.46569	4.6
73.20204	0.6
76.09230	0.5
83.01392	2.4
85.02956	1.1
89.02441	1.6
93.03468	2.4
99.00892	0.6
101.02454	0.9
101.69780	0.5
107.01398	4.9
113.02460	1.4
117.02629	1.0
117.03467	19.5
118.03780	0.9
119.05013	8.7
119.05791	0.8
121.24492	0.5
125.02445	1.5
132.02194	1.5
135.00880	2.3
137.02435	0.7
143.04997	1.3
145.02951	42.4
146.03300	1.9
151.00383	9.8
154.04227	0.9
157.06563	1.1
159.04503	2.2
163.00372	4.0
163.04001	6.2
164.01135	0.8
167.03546	0.6
167.05002	1.8
169.01422	1.6
169.06549	1.7
171.04501	0.9
173.02327	0.8
178.99919	1.3
183.04517	1.7
185.06070	2.7
187.03987	3.7
189.05562	1.1
195.04553	1.2
197.06082	1.2
199.04018	1.7
200.04799	1.0
201.05571	1.2
211.03964	3.8
213.05508	3.1
215.03621	0.6
227.03493	48.9
228.03816	3.5
229.05055	13.4
230.05077	0.6
239.03445	2.5
240.04179	0.7
241.05043	1.6
243.02873	0.8
255.02977	94.3
256.03540	12.6
257.04532	7.8
258.04904	0.8
267.02939	1.0
283.02448	4.4
284.03253	100.0
285.04007	96.6
286.04376	7.3
327.05173	0.8
339.05032	1.0
393.05981	0.7
404.41583	0.6
631.18542	2.5
632.18872	0.7
753.19031	4.3
754.19293	0.8
771.19885	15.7
772.20447	2.5
881.16687	0.7
917.23541	59.1
918.23907	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	917.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	1.7
67.40829	0.5
70.05531	1.8
73.98319	2.7
74.99097	67.8
78.95921	1.2
83.01402	0.7
85.02950	0.8
89.02427	1.2
98.20555	0.8
101.02386	0.8
107.01389	3.5
117.03470	10.3
119.05033	2.8
132.02200	1.6
135.00906	1.2
136.99147	66.2
143.05060	0.8
145.02951	21.0
146.03230	0.8
151.00385	6.6
152.99579	1.7
163.00346	2.2
163.03999	2.5
164.01144	0.8
169.06450	0.9
178.99928	1.6
183.04532	2.1
185.06096	0.9
187.03976	1.7
199.03951	0.9
200.04733	1.1
211.04018	2.7
213.05612	0.9
227.03497	45.8
228.03903	3.6
229.05005	4.2
239.03578	1.5
240.04105	0.9
241.04994	0.9
255.02974	87.9
256.03510	11.5
257.04596	3.7
283.02496	3.3
284.03253	100.0
285.03967	41.3
286.04303	2.2
307.12204	5.3
327.05099	0.9
591.12555	1.2
609.14575	14.7
610.14709	1.9
753.18628	5.6
754.19690	1.1
771.20050	13.0
772.20465	2.2
905.03503	0.6
917.23541	37.5
918.24030	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	915.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41558	6.3
69.41969	4.5
71.01386	36.5
72.99321	1.9
73.02956	10.0
83.01388	6.6
85.02948	16.6
87.00891	2.3
89.02452	7.3
95.01402	2.5
96.96002	1.8
99.00886	4.3
101.02449	25.9
104.34005	1.2
108.51003	1.3
113.02455	16.1
113.29535	1.4
119.03510	3.1
125.02454	1.8
127.30262	1.4
129.01987	1.5
143.03455	2.0
159.03084	1.4
161.04573	10.8
177.65129	1.4
203.39862	1.2
209.15436	8.7
235.35352	1.2
238.82935	1.3
312.77298	1.4
353.19659	29.5
354.20129	4.5
371.20746	37.7
372.21082	3.8
393.58524	1.3
407.26639	1.5
413.21817	100.0
414.22015	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	915.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.3
69.53892	0.3
69.61909	2.4
71.01384	0.5
83.01392	0.3
83.11055	0.4
107.01378	1.2
109.02940	0.4
119.63912	0.4
120.15063	0.3
121.12421	0.4
125.02422	0.6
147.52348	0.4
151.00363	3.8
163.00363	1.0
169.01453	0.5
174.03200	0.5
178.99884	2.7
190.02742	0.4
216.04317	0.6
226.02707	4.3
227.03476	1.8
243.02998	9.0
244.03456	0.9
254.02197	4.0
255.02934	3.6
256.03528	0.7
271.02475	41.8
272.02979	4.6
284.03217	0.5
285.03976	0.4
299.02274	0.4
300.02753	44.5
301.03403	11.7
302.04007	0.5
312.16129	0.3
343.04581	0.7
371.71371	0.4
463.08813	100.0
464.09177	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	915.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15646	0.8
71.61401	1.0
78.95904	30.2
85.17538	0.6
96.96966	3.1
100.25559	0.7
121.19199	0.7
152.99591	46.8
163.09789	0.7
171.00647	11.0
176.42308	0.7
227.03288	2.3
245.04309	62.4
246.04730	1.7
253.21732	29.0
253.24370	1.6
254.22153	1.8
277.21686	0.8
296.68747	0.9
304.87451	0.7
433.23346	3.3
481.25723	100.0
482.25983	11.5
661.27753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	2.8
71.01395	15.5
71.37616	1.7
72.99303	3.4
73.02953	5.5
83.01392	3.4
85.02926	3.1
89.02438	4.8
95.01387	2.3
101.02422	6.2
107.01375	5.6
109.02975	2.2
113.02453	5.2
115.00352	1.3
119.03453	2.2
119.05019	4.9
121.02941	2.8
125.02341	1.4
131.03545	1.4
132.02161	3.0
133.02965	1.3
134.03720	3.1
143.03505	1.2
149.02434	1.4
151.00377	21.3
153.83986	1.2
160.01642	10.9
161.02467	1.6
161.04552	4.0
163.00362	5.1
164.01102	1.1
171.81497	1.1
175.00394	2.4
175.03990	12.1
177.01935	1.3
178.02698	1.3
178.99861	7.7
179.05565	2.8
188.67514	1.1
190.02591	1.7
192.00365	1.2
193.05063	6.0
195.56438	1.1
199.03966	2.9
205.01436	2.3
211.04120	1.4
226.02672	2.0
227.03433	4.4
228.03854	1.4
230.19501	1.1
243.03033	8.3
244.64673	1.2
254.02203	2.4
255.02977	11.5
256.03381	1.8
271.02475	75.3
272.02820	5.6
281.10342	6.3
283.02423	4.5
284.03311	2.7
285.04071	5.5
297.04120	1.6
299.01987	100.0
300.02716	55.8
301.03528	82.9
302.03955	7.5
313.03445	1.4
318.54266	1.3
341.12311	6.8
343.04288	2.3
397.11313	1.8
462.08099	18.2
463.08527	6.7
504.08710	1.8
505.09933	2.4
517.14984	1.7
561.08673	2.3
579.09735	4.8
625.14258	5.9
626.71411	1.3
662.65363	1.2
787.19385	36.2
788.19330	10.2
829.20325	2.0
885.19684	2.8
903.20398	44.6
904.21118	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	904.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87729	2.4
65.71406	2.5
66.08467	2.3
67.48409	2.4
69.94454	4.2
69.94875	10.6
71.01387	22.4
73.02945	5.7
74.66572	2.4
74.68568	2.0
82.96497	2.1
83.27108	2.1
83.54389	2.3
85.02950	3.6
89.02440	19.5
98.19987	2.8
101.02444	17.9
113.02443	8.4
119.03484	8.0
125.02425	2.9
131.03519	4.5
132.02168	24.9
134.03754	17.9
143.03500	5.1
160.01663	90.8
161.02007	4.6
161.04568	6.1
175.03995	100.0
176.04341	4.4
178.02716	3.2
179.05605	39.0
191.07118	3.0
193.05058	29.2
194.05342	2.5
217.04973	16.8
221.06653	7.6
227.24846	2.3
235.06100	5.6
235.53250	2.3
247.06264	2.5
265.07333	4.2
305.08896	4.3
323.09906	5.3
338.38724	2.3
341.10852	20.6
342.11093	2.8
383.11945	6.0
397.11316	6.6
421.29892	2.6
427.12442	3.7
457.13394	11.8
472.82510	2.8
499.14471	6.8
517.15533	17.1
559.16675	43.6
560.17126	7.4
841.26123	31.8
842.26404	6.8
854.14459	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	904.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98549	1.6
71.01386	17.9
72.99320	1.7
73.02959	8.7
81.11745	1.3
83.01410	3.3
85.02953	4.9
87.00884	2.7
89.02443	11.8
95.01410	1.4
97.02965	4.7
101.02449	16.8
113.02406	6.9
119.03519	4.7
123.00899	1.5
125.02467	2.2
125.71482	1.3
131.03505	2.6
132.02179	20.6
134.03741	14.7
143.03525	5.6
149.06111	2.8
160.01662	79.2
161.01967	4.3
161.04559	23.7
166.02736	2.4
166.05223	1.4
174.55307	1.3
175.04004	100.0
176.04460	4.9
178.02580	1.7
179.05626	19.3
181.05066	2.8
191.07156	4.3
193.05061	30.2
194.05399	4.1
195.53430	1.4
217.05051	19.2
221.06606	7.4
229.21422	1.9
235.06059	15.3
263.07727	3.6
319.08099	2.4
320.08981	1.6
341.10913	5.6
344.84067	1.7
344.88214	1.5
383.12073	7.5
397.11557	2.4
439.13007	1.4
447.81790	1.4
457.13553	4.9
499.14417	2.9
517.15533	15.5
518.16058	2.6
559.16724	62.4
560.16882	7.6
584.25824	1.8
646.08807	1.5
734.65338	1.6
823.25189	2.3
841.26343	25.9
842.26099	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	899.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24277	2.1
69.03475	4.5
69.62695	10.2
69.63097	4.4
71.01387	26.4
72.99308	12.7
73.02953	3.7
74.42326	2.0
75.00874	36.3
79.95766	2.8
80.96529	2.2
83.01428	4.6
85.02950	6.5
87.00882	38.8
89.02464	7.2
97.02930	5.9
98.19814	2.4
99.00880	4.8
101.02450	7.1
109.02953	4.4
113.02463	6.8
115.00380	56.4
116.35397	2.2
123.04522	4.8
127.03997	5.1
129.01831	2.3
135.03030	5.1
143.03610	2.5
161.04530	3.2
161.09753	2.3
169.05142	5.0
169.12338	4.2
171.10255	28.3
175.02487	100.0
176.02873	3.3
179.10788	2.8
189.65457	2.5
195.13934	3.1
197.11835	42.9
209.11884	2.7
211.13338	3.4
221.11856	5.2
223.13535	3.4
235.13339	2.9
237.14822	2.8
239.12901	6.9
241.14430	7.2
245.11673	3.5
253.09238	4.7
267.12427	3.1
277.21713	68.3
278.22125	5.7
285.13458	10.0
286.13742	2.4
503.21210	4.5
521.21790	4.1
737.42596	3.2
777.41846	3.3
779.41931	9.5
781.43829	59.3
782.43768	15.5
803.42804	2.8
811.44659	5.0
821.43103	8.6
822.44513	3.0
839.44641	4.7
899.46527	22.9
900.46478	6.0
914.02271	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	901.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79559	2.6
69.40671	18.1
71.01388	16.5
74.92076	2.7
85.02962	4.4
86.18565	3.1
87.00876	4.8
89.02452	15.5
96.96004	13.4
98.95596	3.9
99.92589	6.5
101.02444	10.0
113.02439	12.1
115.92088	8.9
116.92881	5.9
119.03498	8.4
128.01726	5.4
131.03491	2.5
132.02182	18.5
134.03783	18.6
134.04684	2.9
143.03531	2.8
149.06110	3.7
160.01653	80.8
161.02292	4.4
161.04515	4.1
175.04002	100.0
176.04463	6.5
178.02736	3.8
179.05627	24.0
191.07137	4.6
193.05006	22.3
217.05025	4.8
235.06094	16.3
265.07111	3.2
271.02521	4.5
299.01892	4.5
300.02759	5.8
355.10312	12.9
389.17319	2.8
397.11407	48.6
398.11874	3.1
439.12454	3.7
469.85623	3.2
661.20056	5.9
679.20844	33.9
680.20673	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	903.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	1.2
65.00349	1.5
70.73069	1.8
70.73444	2.0
71.01391	10.6
72.99309	1.3
73.02974	2.5
77.24108	1.0
78.46661	1.0
83.01404	2.3
85.02962	2.3
88.62337	1.0
89.02444	4.1
101.02440	4.7
107.01418	3.2
109.02882	1.3
113.02472	4.3
119.03483	1.1
119.05044	2.9
121.02959	2.4
121.48599	0.9
125.02411	1.3
125.34236	1.2
132.02164	3.7
134.03697	2.6
137.02400	1.1
147.92116	1.0
151.00385	14.5
160.01631	10.9
161.04587	3.2
163.00276	1.1
175.00351	2.5
175.04002	16.1
178.99873	4.1
179.05597	3.8
188.86407	1.0
190.02753	2.4
193.05052	5.9
199.04018	2.7
205.05081	2.6
213.32170	1.0
215.03539	2.1
221.06651	1.3
223.06111	1.7
227.03427	4.1
229.04984	1.2
235.06067	1.5
243.03015	5.7
255.03021	9.1
256.03400	1.1
263.07904	1.4
271.02487	59.7
272.02902	6.0
281.10321	2.9
284.03177	2.2
286.04083	1.3
299.01974	100.0
300.02679	38.4
301.03525	58.7
302.03876	3.8
313.03561	2.1
341.12405	3.3
343.04587	1.9
397.11426	2.2
460.90305	1.1
462.08090	23.1
463.08759	8.4
517.16016	1.3
625.14093	4.2
787.19391	90.3
788.19775	20.1
903.20148	11.4
904.21777	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	890.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.4
62.26646	0.5
65.61850	0.5
68.32462	0.5
71.01389	5.5
73.02952	1.9
78.30928	0.5
80.32284	0.5
83.01388	0.8
85.02950	1.9
87.00887	1.2
89.02448	2.8
96.91796	0.5
96.96081	0.7
97.02930	0.6
101.02437	5.8
105.03469	0.9
112.33941	0.4
113.02488	2.3
117.03471	1.0
119.03496	1.6
125.02506	0.7
131.03482	1.6
132.02141	2.7
133.02956	40.2
134.03325	1.8
135.04529	4.5
143.03532	0.9
161.02441	100.0
161.04364	5.7
162.02794	4.7
164.77782	0.5
165.78996	0.5
172.22621	0.5
179.03510	2.9
179.05611	1.9
201.90817	0.5
203.03510	1.9
221.06635	2.7
341.10901	1.6
383.11868	1.9
485.12646	0.8
503.14194	1.5
545.14966	3.7
783.87799	0.5
809.23816	1.9
810.23816	0.8
827.24542	21.3
827.39984	1.1
828.25183	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	885.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42570	0.8
68.99827	0.9
71.01377	3.0
71.25158	0.7
72.99323	1.8
79.95743	2.1
83.01389	1.0
84.01613	0.7
85.02939	0.9
96.96014	54.8
97.95922	1.5
98.95592	19.4
98.96428	3.2
99.00862	1.6
99.67697	0.8
99.92587	54.6
100.92598	2.8
100.93370	3.5
103.06232	0.6
111.00880	1.8
113.79990	0.7
115.92078	74.7
116.92136	4.8
116.92859	100.0
117.92915	4.2
117.93616	1.2
127.00359	1.1
132.92380	1.0
137.63235	0.9
142.94438	5.3
158.93939	0.9
166.94441	1.1
169.93175	1.9
170.93956	4.4
184.95464	1.9
186.93378	1.3
198.93349	1.7
211.03958	1.2
212.95038	1.7
224.94753	0.8
227.03535	3.4
230.96030	2.5
255.02933	7.4
256.03500	1.2
256.93973	7.5
257.94589	2.3
258.95462	2.0
274.95029	12.6
275.95230	1.1
283.02484	3.1
284.03220	6.5
285.03912	6.1
365.94913	1.5
366.95596	5.7
368.97226	2.0
382.95029	1.2
387.00293	1.5
395.95663	0.8
396.96246	1.3
406.02069	1.2
423.02762	1.2
424.03217	1.3
438.97369	1.1
609.97205	0.9
619.48505	0.9
641.05457	0.8
642.19800	0.9
673.04840	10.5
674.05585	2.5
675.06738	2.3
709.07739	2.7
767.17224	0.9
849.08063	2.4
885.10724	6.1
886.11163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54665	15.3
71.01379	8.4
73.02933	2.6
74.89504	2.1
77.17995	2.0
83.01396	5.3
85.02963	3.5
89.02461	3.6
101.02467	6.0
107.01370	6.0
113.02465	6.2
118.54756	2.4
119.03538	2.3
120.65224	2.5
121.02943	4.1
125.02422	2.2
134.03728	2.7
143.04652	3.2
145.02986	2.7
151.00385	29.5
159.37814	2.1
160.01653	4.2
161.04581	3.1
163.00314	2.2
164.01170	2.3
175.00290	2.4
175.04161	3.1
178.99901	8.5
179.05638	3.2
193.01465	3.7
193.04955	2.4
199.03961	2.9
227.03474	5.2
229.05138	2.9
236.20389	2.4
243.02988	10.3
255.03015	13.0
271.02481	60.4
272.02844	5.8
283.02603	3.0
284.03235	6.0
285.03882	8.5
299.01987	84.1
300.02710	77.1
301.03528	100.0
302.03815	9.6
313.03430	5.9
337.15091	3.5
343.04608	3.8
383.11780	3.1
462.08139	18.9
463.08777	19.7
563.10529	3.1
625.14233	8.4
787.19458	40.3
788.19788	9.4
887.20905	54.9
888.20526	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	887.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54665	15.3
71.01379	8.4
73.02933	2.6
74.89504	2.1
77.17995	2.0
83.01396	5.3
85.02963	3.5
89.02461	3.6
101.02467	6.0
107.01370	6.0
113.02465	6.2
118.54756	2.4
119.03538	2.3
120.65224	2.5
121.02943	4.1
125.02422	2.2
134.03728	2.7
143.04652	3.2
145.02986	2.7
151.00385	29.5
159.37814	2.1
160.01653	4.2
161.04581	3.1
163.00314	2.2
164.01170	2.3
175.00290	2.4
175.04161	3.1
178.99901	8.5
179.05638	3.2
193.01465	3.7
193.04955	2.4
199.03961	2.9
227.03474	5.2
229.05138	2.9
236.20389	2.4
243.02988	10.3
255.03015	13.0
271.02481	60.4
272.02844	5.8
283.02603	3.0
284.03235	6.0
285.03882	8.5
299.01987	84.1
300.02710	77.1
301.03528	100.0
302.03815	9.6
313.03430	5.9
337.15091	3.5
343.04608	3.8
383.11780	3.1
462.08139	18.9
463.08777	19.7
563.10529	3.1
625.14233	8.4
787.19458	40.3
788.19788	9.4
887.20905	54.9
888.20526	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	887.4646
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.86182	0.4
61.98836	0.6
67.01885	0.5
68.99835	0.3
69.03448	1.2
71.01383	36.8
72.01703	0.5
72.99313	4.4
73.02948	9.0
75.00864	0.7
75.68545	0.4
83.01389	5.3
83.05009	0.5
85.02953	19.3
86.00095	0.8
87.00883	3.9
87.04516	0.7
88.11060	0.3
89.02449	10.8
95.01396	3.0
97.02959	0.8
98.20637	0.8
99.00864	2.9
101.02445	19.9
102.02802	0.5
103.04022	1.9
109.02971	0.5
111.00877	3.1
112.01645	1.2
113.02461	11.1
115.04021	0.7
119.03474	2.1
121.02967	0.9
124.13863	0.5
125.02435	1.4
129.01942	0.7
131.03497	4.0
141.01935	0.5
143.03482	1.8
159.02991	1.7
161.04523	1.2
199.03928	0.4
205.07150	0.6
209.04482	0.6
225.04414	0.4
240.20277	0.5
252.60265	0.4
254.37642	0.4
255.02873	0.5
271.02420	1.1
300.02808	1.1
301.03467	0.9
375.87897	0.4
403.28467	3.5
429.29932	2.1
447.31110	9.9
448.31250	1.8
609.36304	2.1
625.14063	1.7
626.13916	0.5
723.39832	1.2
725.41461	0.5
741.40576	6.3
742.40997	1.2
887.46436	100.0
888.46771	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01384	6.6
73.02940	1.5
84.63737	0.5
85.02959	1.7
89.02449	6.6
99.00886	0.7
101.02456	5.9
102.73536	0.6
104.85437	0.5
110.93832	0.6
113.02428	2.9
117.03471	16.0
119.03522	2.2
119.05022	3.7
125.02440	1.2
131.03470	1.5
132.02147	1.0
133.06325	0.7
134.03761	0.9
142.01820	0.5
145.02953	50.0
146.03300	2.4
160.01669	2.9
161.04594	3.6
161.05879	0.8
161.09309	0.6
163.03990	7.0
175.04027	2.5
179.05605	12.2
179.99570	0.6
187.04031	4.9
193.05133	1.6
207.03082	0.9
221.06656	2.1
263.58752	0.6
299.01941	0.6
323.10028	1.2
341.10797	5.4
343.47247	0.5
367.10483	2.6
383.12167	2.2
397.11578	1.5
427.12534	2.2
469.13797	1.2
487.14484	2.8
502.08810	0.6
529.15558	8.9
530.15839	1.6
811.24963	7.4
812.25653	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	17.3
71.60065	1.5
72.99307	1.7
73.02960	2.0
85.02963	5.3
87.00879	3.1
89.02444	15.8
95.01433	1.8
101.02461	13.0
113.02464	9.5
119.03500	6.0
125.02463	1.9
131.03485	3.1
132.02170	17.0
134.02827	2.2
134.03764	23.5
135.04073	1.7
137.02434	3.5
139.79172	1.5
143.03477	2.3
149.06090	3.5
160.01659	85.2
161.02080	3.0
161.04520	8.5
175.04001	100.0
176.04517	5.2
178.02737	7.0
179.05597	19.5
191.07124	4.0
193.05063	37.5
194.05431	2.0
217.05074	6.7
221.06667	3.2
235.06120	11.0
257.20972	1.8
265.07278	1.5
285.04678	1.6
305.08627	2.0
323.10104	1.6
337.09393	1.6
341.10849	2.2
355.10312	13.1
383.11816	2.2
397.11392	31.0
398.11676	2.4
439.12195	1.9
457.13281	2.2
472.84033	1.5
499.14850	1.8
559.16663	12.4
629.87543	1.9
636.27264	1.7
644.43408	1.5
661.19690	7.2
679.20880	42.6
680.21582	7.0
783.80426	1.9
841.25671	2.8
877.24500	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	877.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	4.1
71.01385	75.8
72.99333	2.1
73.02952	71.6
75.00872	2.2
83.01389	25.0
83.05028	3.0
84.07959	2.0
85.02953	14.2
89.02451	25.3
90.30813	2.1
95.01389	3.8
96.13911	2.1
97.06612	5.1
99.00863	2.9
99.04529	4.9
101.02448	82.5
113.02445	38.4
113.06117	13.3
119.03503	21.0
121.06668	2.0
123.08156	4.6
131.03499	7.9
137.09680	12.3
139.07666	7.9
141.09225	2.5
143.03511	12.3
149.04567	30.2
151.11293	2.4
153.09198	11.7
161.04546	61.0
162.52980	2.1
162.96738	2.0
163.11331	5.1
165.09201	20.2
172.03949	2.1
175.07597	3.2
177.12971	2.2
178.61639	2.0
179.05626	10.7
187.11301	14.1
189.09221	2.9
203.05562	17.6
204.77710	2.4
205.12326	28.7
206.12769	2.3
208.11043	3.1
216.70576	2.2
221.06674	47.0
223.13385	100.0
223.15601	5.0
224.13699	9.4
241.14378	11.3
265.14462	2.1
307.13809	5.6
342.57535	2.5
385.18686	6.4
387.20398	16.5
396.19644	1.9
403.19684	6.2
410.42499	2.3
427.19577	6.3
445.20779	80.3
446.21124	9.6
455.64642	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	885.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69586	0.7
65.36758	0.7
68.99820	0.8
70.34952	2.9
71.01381	1.9
72.99315	2.2
76.53056	0.8
79.95736	2.7
81.95323	0.9
85.59065	0.7
87.00884	0.7
96.96015	62.5
98.95592	19.8
98.96432	4.0
99.00893	1.4
99.92587	54.5
100.92593	3.2
100.93368	2.6
107.31816	0.8
111.00908	1.1
113.02429	0.9
113.33387	0.7
115.92080	83.6
116.92155	4.9
116.92858	100.0
117.92905	4.3
126.95003	1.4
141.93616	1.5
142.94415	5.9
147.48351	0.7
151.00409	0.9
158.93907	1.8
166.94464	1.0
169.93112	1.8
170.93875	3.8
182.94067	0.9
184.95467	2.2
186.93405	1.1
194.93925	0.8
198.93263	1.8
212.95009	1.9
217.78697	0.8
226.96477	0.8
227.03448	3.9
230.95975	2.8
244.97609	1.1
255.02994	5.4
256.93939	8.8
257.94537	3.0
274.95007	18.0
275.95258	1.4
283.02600	1.2
284.03290	6.5
285.03983	7.1
286.04343	1.0
366.95654	2.1
367.95923	1.4
382.94623	1.1
424.03067	1.2
447.09311	0.9
497.43964	0.8
568.04913	0.8
673.04645	6.0
674.05109	1.3
675.06586	2.3
709.06610	1.7
787.19189	1.1
849.09174	2.2
885.10205	12.1
886.10895	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	874.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01389	3.8
73.02955	1.4
73.16741	0.4
83.01379	0.5
85.02964	1.0
87.00894	0.6
89.02437	3.0
97.02940	1.3
101.02444	3.6
113.02450	1.4
114.81625	0.4
116.06463	0.4
117.03468	15.0
118.03837	0.5
119.03503	1.7
119.05037	2.5
125.02423	0.5
131.03464	0.6
142.48694	0.5
145.02954	44.4
146.03297	2.4
150.05629	0.5
159.04561	0.6
160.01666	0.7
161.04585	5.1
161.05937	0.8
163.04008	6.2
175.04019	0.8
179.05620	4.2
187.04021	4.8
188.04433	0.5
205.05029	1.2
221.06734	1.2
263.07849	0.6
341.10980	1.7
367.10315	0.9
383.12033	1.6
415.86517	0.4
427.12323	1.1
469.13608	1.0
487.14484	4.7
488.15067	0.8
529.15643	10.0
530.16119	1.0
793.24615	0.9
811.25134	8.5
812.25238	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	873.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45191	3.3
69.45614	6.0
71.01385	30.0
72.99329	2.7
73.02947	5.5
75.24769	1.3
83.01388	2.6
85.02956	9.3
87.00878	5.0
89.02449	22.2
90.15446	1.1
90.64163	1.0
91.46737	1.0
95.01394	2.6
99.00859	1.1
101.02449	16.5
108.02153	4.1
109.02950	2.9
113.02449	13.9
119.03508	7.4
120.56770	1.0
121.02930	4.5
121.21824	1.0
123.04513	3.0
125.02420	2.7
128.03546	1.4
131.03517	3.7
132.02161	3.4
134.03763	7.7
137.02466	1.5
143.03493	3.8
145.02905	2.2
145.06525	1.3
146.03670	3.0
149.06061	1.3
152.05402	3.0
158.03679	6.3
159.04495	4.9
160.01649	13.6
160.05260	4.5
161.02345	1.3
161.04573	8.0
161.05875	2.0
165.05559	1.5
171.04501	1.8
173.02347	5.5
174.03209	10.4
175.02684	1.6
175.04018	15.0
178.02679	1.8
179.05609	15.7
186.03191	5.0
187.03975	4.9
193.05153	6.7
201.05592	6.5
206.02133	3.1
211.06079	5.3
219.06564	3.6
221.06625	6.7
227.03430	3.0
237.05492	1.2
239.07043	4.5
241.05043	4.4
245.04634	2.0
249.05586	3.6
250.06203	1.4
251.07028	1.8
252.04283	2.6
253.04892	1.2
253.08609	1.7
255.02960	3.2
256.07346	3.3
266.05786	2.1
267.06601	17.6
268.07135	2.3
269.08011	1.3
271.02414	1.6
271.09808	6.8
277.04993	3.8
278.05829	2.2
279.06396	1.3
280.03741	3.3
281.08282	6.0
282.08981	13.1
283.09897	2.0
284.03220	3.8
284.10556	2.0
285.03833	2.5
293.08185	4.0
294.05234	1.5
295.06125	18.2
295.09512	1.8
296.06607	1.5
297.11319	5.9
299.12915	1.5
300.02567	1.9
309.07553	4.9
310.08475	53.4
311.08871	5.2
323.09390	1.6
325.10779	35.3
326.11176	4.1
327.08691	3.0
328.09467	3.2
343.11682	3.1
351.08801	1.7
354.07327	2.5
355.10358	1.8
363.16943	1.2
369.09769	100.0
370.06894	1.1
370.10220	11.2
383.11758	1.5
387.10828	22.5
388.10971	2.5
397.11493	1.5
411.10681	2.0
489.10065	1.9
573.15936	2.0
591.17444	9.4
592.17847	1.7
651.19360	1.5
766.58850	1.3
855.25183	2.5
873.26526	39.3
874.26978	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	873.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44298	0.4
69.50430	0.4
69.62854	2.0
69.63260	0.9
71.01384	13.0
72.01762	0.5
72.99314	0.6
73.02946	2.4
76.17728	0.4
82.40740	0.4
83.01388	1.5
84.26874	0.4
85.02957	4.2
87.00880	2.0
89.02445	11.0
95.01409	1.6
99.00875	1.5
101.02456	7.1
107.01352	0.6
109.02915	0.6
113.02449	6.6
117.03490	2.1
119.03510	3.8
119.05027	0.7
121.02934	0.7
125.02441	0.7
126.43317	0.4
131.03508	1.8
132.02176	16.7
134.03748	22.3
135.04427	0.9
137.02438	1.3
139.04028	0.5
143.03484	1.6
145.02956	3.1
146.03748	0.8
147.04533	1.2
148.05244	0.8
149.04575	0.7
149.06078	4.1
151.00381	2.0
159.03104	0.4
159.04517	0.9
160.01662	76.5
161.02040	3.2
161.04579	5.5
163.04085	0.5
163.87665	0.4
173.02408	1.4
174.03212	2.0
175.04005	100.0
176.04366	4.4
178.02733	5.1
178.99863	0.6
179.05618	12.1
187.03987	0.6
190.02733	1.7
191.07193	1.7
193.05052	29.6
194.05461	1.4
195.90251	0.4
205.05081	1.9
206.02115	1.1
217.05043	2.1
220.03824	0.5
221.06610	3.0
223.06236	0.8
227.03563	0.5
235.06111	7.4
241.05051	0.6
247.06145	0.7
253.75449	0.5
255.02960	1.2
256.03519	0.5
256.07346	0.6
259.06180	1.3
263.07739	3.7
265.07187	1.4
268.07513	1.1
271.02579	3.2
271.09790	0.7
283.09683	2.0
284.03250	0.9
284.10483	0.7
285.03995	1.5
295.08276	1.5
299.01956	4.1
300.02667	2.5
301.03500	5.3
302.03683	0.6
310.08578	1.3
319.08505	0.5
325.10861	5.2
337.09229	1.8
343.11804	1.8
355.10294	6.6
356.10599	0.6
369.09784	2.0
387.10870	4.1
397.11386	28.6
398.11792	2.8
425.53671	0.5
439.12231	1.7
462.08261	1.0
463.08728	1.5
499.14639	2.8
505.09946	1.7
514.27374	0.5
517.08112	0.4
517.15607	10.7
518.16193	1.7
591.16998	0.8
667.15149	5.3
668.15735	1.4
724.54529	0.5
861.86725	0.5
873.26343	3.7
874.27136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.194
Annotation	Kaempferol 3-(2''-feruloylglucosyl)-(1->2)-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
61.98827	2.2
63.02386	1.1
64.60899	0.6
65.00334	2.7
69.50368	4.1
83.01387	2.2
85.02921	0.7
86.25887	0.7
87.00321	0.8
87.00893	0.7
89.02460	1.0
90.43887	0.7
93.03467	2.9
101.02449	1.5
102.90050	0.5
104.55457	0.5
107.01385	5.3
109.03058	0.8
113.02453	1.3
117.03519	1.3
119.01448	0.8
119.03510	0.7
123.00964	0.9
125.02457	1.0
132.02176	10.0
133.02940	2.0
134.03723	7.2
135.00903	1.8
137.02464	0.9
143.05089	1.5
149.06091	1.1
151.00365	7.9
153.01981	1.1
157.06595	1.2
159.04509	1.9
160.01671	27.9
161.02441	4.2
161.04541	0.6
163.00406	4.7
167.04976	0.8
169.01474	0.7
169.06546	1.2
171.04523	1.5
174.46832	0.6
175.04002	19.9
176.04485	0.7
178.02649	1.0
182.03706	0.7
183.04453	3.0
184.05287	0.9
185.02478	1.3
185.06084	2.7
187.04004	3.9
189.05557	1.8
193.05090	4.4
195.04706	0.9
197.06049	1.7
199.04048	1.9
200.04739	0.8
201.05595	1.3
211.04034	6.0
212.04726	0.8
213.05568	2.4
227.03494	58.8
228.03912	4.5
229.05051	12.6
230.05441	1.1
239.03467	2.6
241.05064	2.5
242.90962	0.5
255.02982	100.0
256.03546	14.1
257.04562	8.3
267.02841	1.2
283.02518	6.7
284.03256	99.8
285.04013	84.2
286.04395	6.2
299.05457	1.7
371.30481	0.6
469.02542	0.7
541.15625	2.9
633.14404	1.5
633.90582	0.8
651.15656	7.5
651.76703	0.9
652.16553	0.8
665.17029	1.0
767.17871	0.8
827.20404	85.5
828.20807	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.268
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	21.9
72.99306	1.9
73.02952	4.5
83.01388	2.2
85.02957	6.4
87.00878	4.3
89.02441	17.7
94.20332	0.9
95.01409	2.4
99.00871	2.2
99.04488	1.0
101.02444	11.4
102.50861	0.9
108.02161	2.8
109.02941	0.8
113.02438	10.1
115.00366	2.6
117.03464	3.0
119.03519	7.1
121.02970	1.6
123.23901	0.8
125.02438	2.3
131.03493	3.4
132.02148	2.7
133.01399	5.5
134.03741	4.1
135.04512	1.1
143.03511	2.5
145.02977	2.7
146.03740	8.3
147.04488	1.4
147.73508	0.9
148.05305	4.6
151.00357	1.9
155.69031	0.9
159.04494	2.0
160.01675	7.1
161.04576	6.1
162.03188	2.2
173.02432	22.1
174.03214	34.1
175.03954	7.2
178.02617	1.5
179.05582	14.1
180.04321	2.5
187.04025	1.3
188.04762	9.1
189.05449	1.3
191.03372	1.2
192.04234	1.4
193.05055	3.9
195.63179	1.2
203.12804	1.1
206.02205	25.8
207.02615	1.3
211.06001	1.2
220.03766	7.7
221.06590	4.0
233.04626	2.3
255.03006	2.7
263.09714	1.8
266.09283	1.0
271.02484	7.0
275.05499	1.0
282.08807	1.1
283.02402	4.3
284.03140	1.3
284.10440	1.8
285.04114	1.5
299.01978	10.8
299.12857	6.9
300.02698	3.6
301.03577	5.2
310.08453	3.5
323.09756	1.3
325.10800	100.0
326.11145	10.5
343.11862	9.8
344.12665	1.1
365.18250	2.5
367.11890	1.2
368.17108	1.0
369.09781	12.2
385.12909	1.9
387.11044	2.1
397.11682	1.1
436.10123	0.9
437.10672	3.5
505.17282	1.7
547.18372	12.0
548.18579	2.1
609.14441	5.2
610.15118	1.1
719.95966	1.0
783.46698	1.0
873.26245	27.2
874.26526	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	871.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92678	0.8
63.61778	0.7
65.00323	1.3
69.83076	4.3
71.01379	5.5
75.00851	1.5
79.74418	0.8
83.01417	1.4
85.02957	7.1
87.00892	1.5
89.02470	1.0
91.97694	0.8
93.03471	2.0
95.01402	2.4
96.96016	3.1
99.00874	2.1
101.02436	1.1
103.00381	0.9
107.01377	1.6
109.02997	0.8
111.24117	0.7
113.02451	6.6
117.01913	1.1
128.04697	0.7
135.25964	0.8
145.02962	0.7
151.00391	4.1
157.06575	1.1
159.04523	1.9
163.00372	2.4
169.06563	0.9
171.04485	1.0
175.02477	3.9
179.00002	0.8
183.04501	1.1
185.06113	2.7
187.03961	3.8
197.06044	1.3
199.04042	1.3
211.04047	3.1
213.05531	2.1
215.03687	1.1
227.03508	24.5
228.03859	2.9
229.05038	10.6
230.05513	0.9
239.03629	2.1
240.04196	0.8
241.05008	0.8
243.02892	1.0
255.03004	53.4
256.03546	7.4
257.04599	8.3
257.87482	0.7
267.02847	1.0
283.02438	3.3
284.03281	59.1
285.04044	100.0
286.04407	9.2
327.05222	1.0
419.17413	0.8
447.09369	1.6
489.10205	1.9
491.00916	0.8
503.01666	0.9
515.08099	1.0
591.12952	0.8
651.15643	90.8
652.15875	15.2
652.25970	1.1
827.18896	10.6
828.19135	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	855.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99824	2.8
69.03458	3.3
71.01385	65.0
71.16032	4.7
72.99313	21.3
73.02951	13.7
75.00875	61.9
83.01381	8.5
85.02958	56.6
86.03240	2.4
87.00873	28.7
87.28770	2.5
89.02435	16.7
89.03979	2.8
97.02935	8.2
99.00878	30.9
101.02448	22.4
103.00386	5.5
111.00903	5.6
113.02453	66.5
115.00346	5.1
115.04001	3.9
117.01916	4.1
117.03502	3.0
119.03475	2.4
125.02428	10.6
131.03464	9.7
132.02225	12.0
133.02965	5.5
134.03746	64.4
135.04037	2.9
143.03441	2.4
143.36844	2.3
144.04564	4.1
149.06004	4.2
157.01408	7.0
160.01660	33.1
161.02461	18.4
161.04517	6.8
162.02757	4.2
163.35065	2.1
173.04536	6.6
175.02602	3.8
175.03963	17.4
175.06140	12.4
178.02707	6.4
179.05522	4.5
193.03464	15.8
193.05049	42.6
221.06532	4.3
235.04541	18.1
265.05606	3.3
280.29675	2.5
295.06677	14.1
299.63397	2.2
306.87823	2.2
323.82819	2.4
325.10211	2.3
337.07730	4.4
355.08765	6.9
357.25366	2.5
379.08765	14.4
397.09875	46.2
398.10153	4.8
457.11874	11.8
535.32043	3.2
661.18243	55.1
662.19269	11.9
679.19336	79.3
680.19531	7.1
712.44861	2.6
855.24011	100.0
856.24298	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	866.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.24657	0.2
71.24973	0.3
76.04551	0.2
77.49619	0.2
78.56734	0.3
92.78085	0.2
116.92876	0.3
146.09074	0.2
198.74962	0.2
701.37805	0.3
741.44073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98541	0.2
63.32770	0.1
63.96219	0.2
70.30227	0.1
70.57916	0.3
79.95715	0.7
80.96522	0.6
277.21796	0.3
868.46155	0.1
869.46936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	1.7
65.00339	1.2
67.50819	0.9
71.01387	8.0
71.60737	1.4
72.99331	1.3
75.00860	2.2
79.27329	1.0
79.93976	1.0
83.01391	2.2
85.02973	9.5
87.00892	1.9
89.02437	2.1
90.16873	1.1
95.01395	3.2
96.95976	1.0
99.00891	3.9
103.00394	1.9
107.01379	2.0
108.21566	0.9
111.00997	1.1
113.02448	16.1
115.00352	1.5
117.01933	1.3
120.97884	2.5
121.75670	0.9
132.02217	1.1
145.02954	3.9
151.00369	8.8
163.04012	1.1
175.02512	6.3
175.03860	1.5
183.04500	1.3
187.04057	1.3
211.04025	3.1
227.03517	7.5
229.04922	1.4
255.02980	58.1
256.03452	6.3
258.07813	1.0
283.02493	100.0
284.03180	33.2
285.04004	18.0
286.04248	1.7
293.12308	2.6
297.04016	1.4
446.08472	11.5
447.09299	14.1
448.09558	1.6
489.10410	12.2
490.10828	2.1
623.12531	4.2
651.15631	99.2
652.15845	18.5
665.13922	1.7
693.16309	1.8
827.19208	9.0
828.18835	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	852.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.96852	0.6
79.95728	0.2
80.96529	0.2
87.85761	0.1
98.19896	0.1
102.07394	0.1
111.77489	0.1
114.32457	0.1
226.68089	0.1
372.15274	0.1
853.48035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01920	1.7
68.99808	2.7
69.03447	4.5
71.01381	73.9
71.60456	2.8
72.01705	1.9
72.98920	2.8
72.99308	35.7
73.02950	17.6
74.07391	1.4
75.00871	52.2
83.01389	7.7
85.02952	60.3
86.00089	5.0
86.03300	2.0
87.00385	1.8
87.00880	23.0
89.02435	23.0
89.03927	1.7
97.02956	11.5
99.00878	22.2
101.02446	32.5
103.00372	10.8
105.91301	1.4
109.02938	2.4
111.00873	3.8
113.02449	66.1
115.00374	3.3
115.04037	2.0
117.01941	3.5
117.03436	1.9
119.03498	4.5
125.02464	9.8
129.01941	4.7
131.03502	11.2
132.02200	9.3
133.01404	3.2
133.02914	1.5
134.03740	35.5
137.02393	3.4
139.00327	2.9
142.60121	1.6
143.03535	2.2
149.06076	2.7
157.01419	8.1
159.03001	1.8
159.31682	1.4
160.01654	29.1
161.02373	5.3
161.04538	6.1
173.04579	2.6
175.02472	9.2
175.03999	17.0
178.02721	2.8
179.05580	2.9
179.62566	1.6
183.28317	1.4
193.03485	21.5
193.05069	20.9
199.80156	1.7
217.03484	4.6
221.06650	6.4
235.04575	51.9
236.04976	2.0
256.07477	1.7
260.48553	1.5
271.09830	3.4
295.06625	12.4
337.07816	2.5
337.15063	2.4
355.09079	2.4
379.08719	4.9
397.09909	14.2
457.12183	4.4
482.95804	1.5
535.55389	1.6
643.16412	1.9
652.65869	1.5
661.18292	56.6
662.19171	7.9
679.19318	48.2
680.19659	7.4
855.24115	100.0
856.24579	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	850.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	4.8
71.60326	1.2
89.43764	1.0
107.01371	1.7
120.99669	2.9
121.02910	1.5
151.00360	9.7
156.35764	1.1
175.03960	1.6
178.99791	2.8
199.04036	1.6
200.62247	1.1
227.03477	2.9
243.02933	3.8
255.02946	3.8
255.22174	1.1
271.02484	49.6
272.02792	4.2
285.03922	1.7
299.01981	95.6
300.02521	20.0
301.03561	43.9
302.03839	4.2
343.04288	1.8
462.08133	20.5
463.08725	8.1
546.03455	1.2
565.84857	1.4
625.14301	3.6
787.19427	100.0
788.19769	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.90649	1.1
96.30123	0.3
98.20603	0.5
118.70187	0.3
120.09850	0.3
139.51141	0.3
161.27866	0.3
229.37808	0.3
295.92429	0.3
600.06677	0.4
823.83160	0.4
845.29254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.01399	0.3
71.24566	0.4
78.98573	0.3
79.95749	1.1
80.96513	4.0
94.98081	1.2
100.90688	0.2
106.98131	0.3
136.99252	0.3
139.03793	0.3
152.61066	0.3
152.98686	0.5
164.98640	0.6
180.34689	0.2
187.11551	0.3
225.00798	0.9
245.23068	0.2
852.46771	0.5
853.47729	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	849.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
61.98832	2.3
64.95226	0.6
70.02977	0.4
71.01386	2.8
71.61329	0.8
72.00910	1.3
73.01154	0.5
73.02943	1.1
74.02477	9.6
75.07317	0.5
78.95880	0.7
82.03021	0.6
83.01390	0.7
85.02960	0.8
85.04038	0.6
86.02480	4.4
86.06140	0.8
86.99100	0.6
87.05641	1.7
89.02464	1.3
90.00177	0.9
95.01412	0.5
97.04057	0.6
99.04575	0.9
99.05644	7.8
100.00415	0.6
100.05951	0.5
101.02447	1.7
101.07193	1.7
102.05615	1.1
104.98367	0.6
109.04048	0.7
109.07722	0.6
111.05688	0.6
112.04053	0.8
113.02442	1.3
119.47170	0.6
120.97861	1.0
124.04087	0.6
125.02471	0.7
125.03521	0.8
127.05125	1.8
127.08788	0.5
128.03548	25.6
129.03838	1.0
134.03708	0.5
135.05655	2.1
137.07231	0.9
138.13326	0.5
141.06685	2.1
143.04625	33.1
144.04886	0.9
145.06166	2.2
146.04578	3.7
149.04599	0.5
153.06671	2.2
155.08208	0.6
157.70598	0.5
160.00725	7.4
160.01894	0.7
161.04649	0.7
166.09854	1.7
167.04721	2.4
167.05922	0.4
167.08289	1.3
170.03284	0.6
171.04137	0.8
171.07808	2.5
175.03944	0.5
177.03400	2.1
179.04604	7.3
179.06007	0.5
181.06180	0.8
184.10956	0.6
185.05693	1.3
192.07802	1.1
193.05032	1.6
197.05675	1.2
199.07230	1.0
210.08839	8.8
242.07796	0.9
254.07777	8.6
271.02673	0.8
272.08884	17.3
273.09192	1.8
288.06625	3.4
301.03363	0.5
304.06039	0.8
305.08847	0.6
306.07651	100.0
307.07965	6.8
346.10727	6.4
347.11169	0.8
378.07944	6.7
394.07486	0.8
396.08917	0.9
411.06015	2.3
412.06714	8.5
413.06815	1.1
428.06317	1.9
452.09598	3.7
457.39023	0.5
502.08426	0.6
720.73566	0.6
848.46808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.09736	1.9
61.98835	18.4
69.03457	4.6
71.01384	76.5
71.40008	1.7
71.61002	1.8
71.61448	2.7
72.39682	2.0
72.99313	6.3
73.02958	19.6
74.24273	1.7
75.00881	2.1
81.03472	2.9
83.01385	13.1
85.02964	26.0
86.00133	2.8
87.00882	27.3
87.04531	3.3
89.02446	59.0
95.01406	6.3
97.02953	12.0
99.00897	4.9
101.02449	69.3
104.90847	1.7
106.66242	1.8
108.02132	2.1
113.02459	34.4
119.03512	23.9
121.02943	2.1
124.01650	16.1
125.02459	16.4
125.03243	2.5
131.03455	4.1
143.03532	11.7
161.04559	31.8
162.04897	2.1
179.05629	24.1
188.00133	1.9
203.05571	3.7
221.06685	9.4
235.08142	3.7
263.07724	5.5
271.02426	2.6
299.60382	2.0
349.56601	2.4
413.09875	2.5
439.26910	2.2
519.61731	1.9
583.30585	2.6
601.32135	10.7
643.33936	4.4
745.36591	49.2
746.37036	12.1
763.37646	62.4
764.38019	13.8
805.38617	44.1
806.38855	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	845.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98501	0.3
59.01099	0.9
59.01385	14.7
62.07293	0.4
64.64881	0.5
65.77865	0.4
71.01385	11.3
72.99313	1.5
73.02955	0.6
83.01385	0.7
85.02972	2.2
87.00869	0.8
89.02449	10.6
89.81889	0.4
89.87471	0.4
93.85418	0.4
95.01404	0.9
98.19844	1.2
98.95528	0.4
99.00853	0.4
101.02446	8.4
113.02466	4.6
114.05613	0.4
116.07164	0.6
119.03510	3.9
119.04974	2.2
120.05351	0.4
130.08728	1.9
132.02161	1.1
134.03741	1.1
143.03511	0.4
147.04527	56.0
148.04866	3.0
149.04619	0.4
151.00684	0.4
160.01654	4.0
161.04521	0.6
165.05576	7.9
175.04012	6.5
176.04413	0.7
179.05574	0.9
179.41206	0.4
193.05067	1.2
300.19202	2.9
301.19650	0.7
327.10861	100.0
328.11179	8.1
397.11469	1.5
461.32932	0.4
572.76031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.3
61.98824	2.8
64.49389	1.0
69.73857	7.3
71.01382	3.4
74.02475	7.0
78.95897	1.5
86.02496	2.0
88.98811	2.6
89.02481	1.3
96.96040	1.5
97.04103	1.2
99.05644	7.1
101.02459	2.1
103.64918	1.2
108.79530	1.5
113.02446	1.4
127.05096	1.8
128.03546	27.9
135.05661	2.7
143.04628	29.3
145.06181	2.5
146.04623	4.2
153.06718	1.3
160.00706	6.5
167.04593	3.1
171.07735	2.5
177.03383	2.9
179.04602	7.8
185.05588	1.7
193.05164	1.6
197.05748	2.4
210.08849	8.0
227.03371	1.5
242.07745	1.6
254.07841	8.2
262.03876	1.2
272.08847	14.7
272.11588	1.7
284.03195	1.7
285.04111	2.2
286.04678	1.2
288.06451	1.9
289.06705	1.4
306.07651	100.0
307.07880	6.1
346.10678	6.3
378.07932	6.4
411.06165	2.3
412.06723	11.2
452.09915	3.0
474.84949	1.1
491.42413	1.4
609.15228	4.3
654.05286	1.3
849.31012	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84782	0.5
59.01098	0.7
59.01381	13.8
69.03445	0.6
70.05011	1.5
70.05424	1.1
71.00989	0.9
71.01389	18.4
72.99297	0.9
73.02955	9.3
83.01381	2.2
85.02951	5.2
87.00864	3.7
89.02448	12.7
89.03955	0.5
95.01381	2.1
97.02940	3.9
99.00893	1.2
99.04527	0.8
101.02452	18.6
102.67257	0.5
111.00900	0.6
113.02459	8.2
115.04041	0.8
117.03463	0.8
119.03506	4.6
125.02435	1.4
131.03514	4.4
132.02184	28.9
133.02469	1.2
134.03746	14.9
135.04164	0.5
137.02438	0.8
143.03499	4.4
146.05000	0.6
147.04532	0.6
149.06090	1.9
159.02940	0.6
160.01668	100.0
161.02026	6.5
161.04559	23.3
162.04924	0.9
175.04015	99.9
176.04378	7.2
178.02728	1.8
179.05624	17.4
191.07179	2.6
193.05078	27.3
194.05429	1.4
202.02831	0.7
217.05080	14.6
218.05374	0.8
221.06680	6.1
235.06131	11.5
236.06348	0.7
259.05994	0.7
263.07837	2.8
264.08301	0.6
301.66000	0.5
305.09042	0.7
319.08279	1.2
337.09506	1.4
341.11072	3.3
355.10464	1.9
356.10278	0.6
383.12051	7.8
383.16806	0.8
384.12305	0.8
397.11597	2.1
439.12628	0.8
452.66336	0.6
457.13739	3.6
499.14944	2.0
517.15607	4.6
518.16113	0.8
533.08289	0.7
559.16705	30.7
560.17041	6.2
841.25751	3.1
842.26459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.9
60.35246	0.9
61.98805	1.4
63.02388	2.5
65.00316	3.0
68.28601	1.0
69.71935	3.1
69.72343	2.6
73.02866	1.0
83.01385	2.0
93.03445	2.1
98.20645	1.0
98.33091	1.1
107.01413	5.0
113.02405	1.5
117.03477	23.1
119.05041	9.3
123.00869	1.0
132.02164	1.9
133.85289	1.0
135.00864	1.9
143.05034	2.1
145.02957	45.3
146.03268	1.9
151.00357	7.4
163.00371	2.4
163.04007	4.3
164.01111	1.3
169.01538	1.4
183.04478	1.8
185.06088	1.9
187.04031	3.4
193.55995	1.1
195.04581	1.4
199.04037	1.6
200.04666	1.1
211.03925	5.8
212.04816	1.3
213.05620	2.8
227.03494	52.9
228.03998	3.9
229.05075	11.0
239.03503	1.6
240.04036	1.4
241.05016	1.8
255.00182	1.7
255.02983	98.0
256.03598	16.4
257.04474	8.0
283.02417	5.2
284.03253	100.0
285.04013	90.0
285.06464	0.8
286.04388	7.6
511.14447	3.5
591.13080	1.8
633.14557	1.6
651.15692	12.1
652.16071	2.0
797.19293	87.7
798.19519	20.5
836.87567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.5
61.01054	0.7
71.01384	22.3
72.39838	0.7
73.02953	3.9
83.01389	1.2
85.02956	5.7
87.00887	3.4
89.02441	20.9
90.66830	0.9
94.13142	0.8
95.01388	1.3
97.02975	1.9
101.02440	19.8
101.03077	1.2
113.02435	8.1
115.04061	0.7
119.03497	9.4
125.02465	4.1
127.77847	0.7
131.03503	4.3
132.02176	27.6
132.51231	0.9
134.03740	15.8
139.57278	0.8
143.03561	3.7
146.34889	0.8
149.06102	2.3
160.01657	95.3
161.01985	5.2
161.04556	9.8
175.03996	100.0
176.04317	6.4
178.02763	1.0
179.05603	31.5
191.07133	1.3
193.05051	27.1
194.05420	2.5
217.05037	12.0
218.05344	0.9
220.03578	0.9
221.06606	7.9
235.06097	6.7
247.06078	1.5
250.88431	0.7
305.08780	1.7
313.32095	0.7
323.09824	3.8
340.28427	0.8
341.10910	9.6
355.10306	1.3
383.12036	7.6
397.11429	5.3
398.11816	0.8
427.12186	1.8
457.07788	1.2
457.13382	5.8
499.14627	2.7
517.15552	2.3
559.16626	27.1
560.17151	3.8
841.26086	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	841.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	1.2
59.01382	18.8
65.12931	0.6
69.03463	0.7
70.52251	0.6
71.01386	19.1
72.99312	1.3
73.02955	4.8
73.25347	0.7
83.01405	1.6
85.02966	5.8
87.00888	3.1
89.02453	18.7
95.01374	1.9
97.02950	1.7
99.00879	1.4
101.02451	18.4
102.02811	1.0
112.26949	0.5
113.02453	8.1
119.03520	7.2
125.02465	2.5
131.03464	3.1
132.02184	31.5
133.02560	0.8
134.03751	15.7
135.04102	0.8
143.03548	3.0
149.06071	2.1
160.01669	100.0
161.01993	6.1
161.04544	9.3
175.04013	89.4
176.04428	4.8
178.02701	1.6
179.05617	26.1
180.05988	1.0
191.07121	1.3
193.05066	21.4
194.05428	1.5
202.02676	1.7
217.05017	9.8
218.05293	1.1
221.06647	5.9
235.06117	5.8
259.06125	0.7
265.07083	0.8
305.08847	1.8
323.09842	3.3
341.10880	6.7
342.11551	0.8
355.10297	1.1
383.11996	6.6
384.12338	0.7
397.11334	3.8
415.09366	0.6
427.12415	1.9
457.13733	4.9
499.14459	2.0
517.15564	2.8
559.16711	21.8
560.17145	4.7
841.26508	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	836.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78230	0.1
61.98830	100.0
62.98528	0.2
63.69928	0.1
70.18002	0.5
92.84808	0.1
109.30734	0.1
310.02240	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98830	20.4
63.96239	2.2
69.03464	1.1
70.36026	1.9
71.01380	11.2
73.02940	1.8
73.08391	0.5
78.98589	8.8
79.95731	17.5
79.96188	1.1
80.96515	100.0
81.03454	0.8
85.02950	3.7
87.00871	4.1
94.98090	21.6
96.96017	1.9
97.02943	1.7
98.19839	0.6
99.00880	0.8
101.02475	2.7
106.98081	5.6
122.97558	4.6
125.02435	3.0
127.04034	1.1
134.97589	6.7
136.99142	2.0
146.97514	0.5
148.99144	7.1
152.98624	7.5
164.98610	12.4
167.00136	0.8
175.96339	0.5
206.99612	3.0
225.00742	14.5
277.21674	1.7
559.25787	1.5
831.75592	0.6
837.48230	91.8
838.48517	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98521	0.2
67.17966	0.2
70.11650	0.7
70.12020	0.3
73.65894	0.2
78.95923	0.8
79.37605	0.1
80.96521	0.5
81.54458	0.2
106.65957	0.2
179.89273	0.2
180.90147	0.2
189.62694	0.2
196.89552	0.4
305.53165	0.2
322.89709	0.2
358.41177	0.2
566.81671	0.2
642.13123	0.2
838.47797	0.4
839.49304	0.3
851.66937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
61.98831	2.8
63.02410	1.8
65.00326	1.8
69.72722	5.1
73.02923	0.8
83.01397	1.6
85.02942	1.5
89.02448	1.4
93.03460	2.9
95.01388	0.9
96.96023	1.1
97.02934	0.8
98.19867	1.4
101.02454	2.5
107.01413	4.5
113.02401	0.9
117.03468	23.4
118.03790	1.3
119.03531	1.0
119.05013	9.0
121.02934	1.1
125.02400	2.0
130.08644	0.8
132.02190	2.3
135.00890	2.4
138.70410	0.8
145.02956	45.4
146.03316	2.2
151.00371	8.3
159.04517	1.5
163.00345	4.6
163.04021	5.1
165.01938	1.1
167.04977	1.0
169.01442	0.9
169.06609	1.0
171.04419	0.9
175.03935	1.0
177.40382	1.1
179.05708	0.8
183.04495	2.9
185.02414	0.9
185.06042	3.0
187.04027	3.5
189.05545	1.3
190.99904	0.9
197.05980	1.1
199.03940	1.9
201.05579	1.0
211.04027	3.5
212.04720	1.4
213.05579	2.2
227.03500	56.8
228.03864	5.1
229.05035	12.9
230.05354	1.2
233.01559	0.8
239.03519	1.9
241.05067	1.3
255.02979	100.0
256.03549	15.1
257.04562	8.3
267.02805	0.8
283.02374	5.5
284.03256	95.5
285.04022	97.8
286.04382	6.9
511.14539	3.1
512.14246	1.2
633.15015	1.5
651.15582	11.0
652.15955	2.1
679.35144	1.1
797.19336	86.0
798.19653	21.1
841.38965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	31.0
61.98824	5.9
69.52840	11.1
71.01383	19.8
72.99297	1.8
74.02484	4.1
80.05070	1.8
83.01401	3.0
85.02960	4.9
85.85268	1.4
87.00887	2.0
89.02437	11.3
95.01360	1.5
97.96272	1.5
99.05609	2.0
101.02425	9.0
106.06591	5.5
108.04529	1.7
110.32239	1.4
112.81180	1.5
113.02467	4.9
119.03513	4.1
122.06123	8.0
128.03522	4.6
132.04521	2.4
134.06125	25.7
135.06534	1.7
143.04642	5.9
146.06024	1.4
152.07172	6.3
160.04062	2.2
160.06471	1.7
180.06657	2.5
210.08801	1.9
213.10329	5.5
225.10353	3.4
226.10970	2.0
227.11932	2.0
238.07417	2.2
239.08315	2.2
239.11906	5.9
241.13458	5.2
249.10316	4.4
251.08243	3.9
251.11890	4.1
252.09047	3.6
253.09750	5.8
263.08182	3.9
265.06216	1.5
265.09747	4.0
266.47012	1.5
267.07675	2.6
267.11554	4.6
272.08911	3.3
277.09753	5.9
278.10446	4.0
279.07739	11.1
279.11313	6.2
285.12509	9.3
291.07806	1.7
293.09406	17.0
294.10123	3.1
295.10846	8.9
305.09302	2.6
306.07422	7.8
307.10950	5.9
308.07538	2.5
312.11517	1.6
321.08865	13.9
339.09952	8.4
351.09778	2.9
358.15619	2.9
358.78003	1.5
382.15530	1.5
384.17645	1.8
398.15009	3.3
400.16595	5.5
410.14609	2.0
412.16537	1.8
458.17749	1.6
486.17001	3.6
487.17032	1.6
531.11133	1.6
605.23523	1.7
620.22162	4.0
623.21515	6.4
636.25708	1.6
638.23499	5.2
641.22229	8.9
642.22284	2.5
648.22058	6.5
651.18958	1.6
666.23090	26.2
667.23346	3.7
673.24927	3.4
698.24390	2.2
712.27179	6.5
727.29663	4.3
759.32233	2.4
771.28857	42.5
772.29376	12.8
803.31384	100.0
804.31940	28.4
835.20172	1.9
835.34076	23.1
836.34198	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	2.5
59.01379	13.2
61.98832	19.0
65.25745	1.2
65.42037	1.2
71.01386	7.9
71.34230	1.3
71.60966	1.4
73.02956	1.4
74.02477	4.2
82.16953	1.3
83.01377	1.3
85.02946	2.7
86.02499	3.0
87.00864	1.8
87.05628	1.8
89.02442	5.1
90.60465	1.3
97.04063	1.5
99.05640	3.1
101.02455	5.0
106.06627	4.4
108.04562	2.4
113.02440	3.7
119.03532	1.5
128.03546	11.4
129.82016	1.2
132.04538	3.2
132.98058	1.3
134.03667	1.3
134.06133	5.2
136.07680	1.7
143.03510	2.0
143.04605	14.8
146.04602	3.0
160.00751	3.3
160.04042	20.4
161.04555	1.5
179.04608	3.5
188.03462	1.5
189.04314	1.8
211.08783	4.0
215.11888	10.3
217.02687	1.3
218.04565	3.8
223.08786	1.9
225.06676	4.2
225.10310	2.0
226.07495	2.0
226.11099	2.1
227.11894	11.4
228.02992	1.8
229.13470	4.9
234.07928	1.9
235.08583	2.6
236.09273	1.9
237.06590	1.7
238.07454	11.5
239.06111	1.6
239.08266	14.0
240.08679	1.4
249.10181	7.0
250.07401	2.6
251.08250	13.5
251.11781	2.9
252.08987	11.6
253.09798	15.8
254.07813	3.4
257.12949	22.7
258.13321	1.9
263.08249	5.7
265.06531	2.8
265.09769	9.4
266.06897	13.6
267.07727	17.5
267.11316	5.2
268.08087	2.5
272.08780	8.1
275.08130	1.7
276.09003	2.0
277.09772	16.0
278.06961	8.8
278.10010	2.0
279.07736	47.9
280.08255	8.9
281.09265	1.4
291.07721	1.7
292.08600	1.9
293.09317	32.8
294.09927	3.4
295.07770	1.9
295.10898	21.1
296.11215	2.2
299.10220	2.1
306.07697	20.6
307.07843	4.0
308.07571	5.3
319.07324	1.7
321.08792	100.0
322.09186	12.1
339.09854	39.4
340.10043	4.7
353.11514	6.9
371.12393	3.5
381.10931	1.4
436.18631	2.1
463.02255	1.3
501.14935	3.2
563.19214	2.8
569.20148	4.4
579.22357	2.2
581.20154	2.2
605.20062	9.1
623.21436	75.2
624.21674	17.0
637.22998	2.5
641.22522	81.8
642.23022	20.6
655.24078	22.2
656.24304	5.1
673.25421	13.0
674.24463	2.8
683.23529	4.0
803.28546	7.0
804.28625	3.0
835.19275	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	835.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.9
61.98816	4.4
63.02404	14.4
65.00323	14.2
69.52451	31.4
71.01386	10.0
83.01379	7.1
85.02954	10.8
89.02459	5.2
93.03445	6.8
95.01429	7.4
101.02465	5.7
107.01394	26.7
108.02160	5.8
111.00880	12.5
113.02454	9.7
117.03445	7.0
121.02906	5.1
123.00843	4.0
125.02442	11.7
135.00854	5.4
137.02440	8.0
139.00380	17.2
151.00378	68.8
152.00929	6.3
153.01941	13.6
161.02376	6.4
163.00343	8.6
165.99023	9.1
166.99768	5.0
169.01443	19.3
171.04567	5.7
173.02481	4.7
175.02505	3.8
175.04024	6.3
178.99864	64.2
180.00209	4.7
187.04121	4.0
188.35138	3.8
190.02985	4.6
192.00687	8.6
193.01378	8.8
193.03523	4.8
193.98491	5.0
199.04097	6.2
206.99319	9.0
209.00848	5.0
211.03944	4.3
215.03560	7.8
226.02617	6.2
227.03474	16.4
228.03966	4.8
231.02939	5.6
241.01399	4.9
242.02274	5.3
243.03001	23.5
245.00826	4.5
245.04471	4.4
255.02972	53.2
256.03207	6.6
257.04410	7.8
259.02368	5.3
271.02499	100.0
272.03094	14.9
273.04065	11.9
282.89868	4.2
283.02408	22.3
284.03217	13.0
285.03925	9.8
287.02057	6.4
294.43741	4.7
298.01242	5.7
299.01956	95.5
300.02704	76.1
301.03470	28.3
305.44183	4.5
316.02222	20.7
317.03052	29.3
461.06985	5.4
493.05966	5.1
493.88080	4.5
533.11017	6.7
623.12848	10.6
624.12781	8.8
625.14117	88.6
626.14331	21.4
641.13397	11.0
659.14758	6.7
760.94025	4.3
798.97095	4.5
801.16461	6.0
857.28271	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	835.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	2.0
59.01376	12.5
61.98834	16.8
63.18618	1.2
69.67764	6.5
71.01393	7.5
72.99317	1.4
73.02944	1.3
74.02460	3.6
83.01408	1.6
85.02962	3.5
86.02531	1.6
87.00850	2.2
89.02446	4.3
95.01376	2.3
96.95991	1.8
98.20622	1.6
99.05622	3.0
101.02442	3.6
106.06622	4.4
108.04586	1.4
113.02444	4.5
119.03545	1.3
124.07725	1.5
128.03568	12.8
130.06709	1.4
132.04555	3.4
134.06126	5.7
135.05650	2.3
143.04619	13.7
146.04588	1.3
148.18457	1.3
152.07181	2.2
160.04048	19.6
161.04460	4.0
174.05602	1.4
179.04532	2.0
188.03474	2.4
195.56505	1.3
210.08702	1.9
211.08719	5.0
212.09415	2.3
215.11852	7.1
218.04552	4.6
223.08786	4.3
224.09636	1.3
225.06670	2.7
225.10191	2.6
226.07588	1.4
226.11052	1.9
227.11856	9.9
228.12233	1.6
229.13448	5.8
234.08000	2.4
235.08534	1.9
236.05811	2.4
237.06570	2.7
237.10309	1.6
238.07512	11.3
239.08240	15.9
239.11987	1.4
242.10463	1.7
249.10287	5.2
250.07355	2.8
251.08261	14.9
251.10843	1.3
251.11949	2.3
252.08975	11.0
253.09778	15.7
254.07773	2.8
257.12924	19.3
258.13373	2.1
262.07220	1.7
263.05737	1.6
263.08170	9.0
264.08914	1.9
265.06168	3.7
265.09756	10.5
266.06851	11.0
267.07709	16.6
267.11365	5.6
268.08069	2.3
272.08762	6.8
275.08310	2.6
276.09055	1.7
277.09857	16.0
278.06976	8.2
278.10104	1.8
279.07736	44.3
280.08273	8.3
291.07785	2.4
292.08487	2.9
293.05997	2.2
293.09348	24.3
293.12534	2.5
294.09927	3.3
295.10864	19.8
296.10947	2.5
303.07663	1.7
305.02551	1.3
306.07632	19.3
307.07828	4.7
308.07596	5.0
311.13834	2.0
319.07269	2.4
321.08795	100.0
322.09149	8.8
335.10391	1.6
337.08481	1.4
339.09839	39.9
340.10080	5.0
353.11365	4.7
371.12567	4.8
385.95087	1.3
402.70123	1.5
402.90555	1.4
436.18631	1.4
569.20001	2.5
591.24158	1.6
591.33716	1.4
605.20428	9.9
606.20496	4.2
623.21436	75.4
624.21973	16.8
637.23016	2.4
641.22540	82.0
642.22845	21.8
655.23962	19.1
656.24164	5.6
673.25336	11.6
674.25873	2.8
683.23627	3.2
803.27521	6.4
804.28314	2.2
835.18823	2.7
835.32434	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	833.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	5.5
59.01386	6.7
61.98833	10.4
66.03493	1.4
69.30257	2.3
69.30656	11.3
71.01387	4.9
72.00936	1.8
74.02477	13.1
83.01421	1.4
85.02969	1.6
86.02469	7.8
86.06110	1.2
87.05616	3.0
89.02441	4.3
96.95994	2.2
99.05632	11.5
100.00436	1.6
101.02449	3.9
101.07207	1.7
109.04105	1.9
111.88705	1.2
125.03580	1.7
127.05154	2.4
128.03551	44.0
129.03862	2.2
135.05562	2.6
137.95395	1.3
141.06718	2.1
143.03516	3.0
143.04625	54.8
145.06212	3.0
146.04616	4.6
153.06729	3.7
154.94690	1.2
160.00729	14.1
161.04605	2.2
166.09848	2.4
167.04648	3.1
167.08308	2.8
171.07797	4.0
177.03418	3.6
179.04590	10.6
185.05710	2.4
197.05637	1.4
210.08867	12.9
227.15508	1.3
254.07806	13.1
272.08881	30.9
288.06659	3.4
306.07657	100.0
307.07990	6.0
378.08057	5.2
380.09601	5.3
412.06665	3.2
486.08783	2.5
704.16290	3.2
833.20245	18.3
834.20679	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	833.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	5.5
59.01386	6.7
61.98833	10.4
66.03493	1.4
69.30257	2.3
69.30656	11.3
71.01387	4.9
72.00936	1.8
74.02477	13.1
83.01421	1.4
85.02969	1.6
86.02469	7.8
86.06110	1.2
87.05616	3.0
89.02441	4.3
96.95994	2.2
99.05632	11.5
100.00436	1.6
101.02449	3.9
101.07207	1.7
109.04105	1.9
111.88705	1.2
125.03580	1.7
127.05154	2.4
128.03551	44.0
129.03862	2.2
135.05562	2.6
137.95395	1.3
141.06718	2.1
143.03516	3.0
143.04625	54.8
145.06212	3.0
146.04616	4.6
153.06729	3.7
154.94690	1.2
160.00729	14.1
161.04605	2.2
166.09848	2.4
167.04648	3.1
167.08308	2.8
171.07797	4.0
177.03418	3.6
179.04590	10.6
185.05710	2.4
197.05637	1.4
210.08867	12.9
227.15508	1.3
254.07806	13.1
272.08881	30.9
288.06659	3.4
306.07657	100.0
307.07990	6.0
378.08057	5.2
380.09601	5.3
412.06665	3.2
486.08783	2.5
704.16290	3.2
833.20245	18.3
834.20679	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	833.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54422	0.3
59.01378	15.8
61.98830	6.9
63.48690	0.4
70.28848	0.4
70.29179	1.0
71.01381	1.4
81.45284	0.4
83.29921	0.3
88.93961	0.4
89.02441	1.0
93.34295	0.3
97.52701	0.4
101.02411	1.2
113.02433	0.4
128.66222	0.3
145.05045	0.4
161.04572	0.6
177.18524	0.3
182.72394	0.4
235.08195	1.6
253.09238	4.4
255.66032	0.4
259.20557	0.4
275.20309	0.5
277.21710	100.0
278.22052	10.3
285.72000	0.4
561.00250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42311	0.3
61.98835	100.0
63.02403	0.5
69.76502	1.8
69.76912	0.7
78.10081	0.4
81.55357	0.4
85.31271	0.4
88.70670	0.4
98.20603	0.5
107.01428	0.9
108.53662	0.4
113.02464	0.4
117.03419	0.4
136.52879	0.4
148.82265	0.4
151.00385	1.6
163.00394	0.5
183.04573	0.9
189.05334	0.6
211.04050	1.0
213.05579	0.4
227.03484	5.5
228.03957	0.4
229.05095	0.6
241.05066	0.5
255.02992	19.7
256.03470	2.5
257.04565	0.6
283.02484	23.7
284.03238	27.4
285.03976	13.8
286.04391	1.4
326.04294	0.5
344.18658	0.4
429.08194	1.0
446.08603	2.8
447.09311	0.8
550.76141	0.5
593.07092	0.5
609.14624	56.3
610.14923	10.9
771.19580	3.3
772.20630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	7.4
59.01384	6.9
61.98834	6.9
64.59274	0.7
64.95265	1.0
66.03474	0.7
70.02964	1.1
70.06351	3.5
71.01383	6.4
72.00909	2.3
72.99284	1.0
73.01158	0.9
73.02933	1.0
74.02473	16.0
78.50339	0.7
82.02972	1.6
85.02941	1.9
86.02483	6.5
86.06136	0.8
86.99090	1.0
87.00887	1.1
87.05656	2.3
88.04037	0.7
89.02479	3.6
90.00192	1.6
92.69316	0.7
96.96024	2.2
97.04068	2.0
98.20625	0.9
99.05646	14.0
100.00388	1.0
101.02439	4.0
101.07187	2.6
102.05603	1.4
104.98399	1.6
109.04064	1.8
111.05657	1.5
113.02461	2.0
119.03482	0.8
123.05683	0.9
125.03556	1.9
127.05126	2.6
127.08792	0.9
128.03543	44.1
129.03888	1.1
135.04395	0.6
135.05679	4.3
137.06087	0.7
137.07149	1.3
141.06737	3.8
143.04626	53.7
144.04970	1.4
145.06174	3.6
146.04572	4.4
149.07410	0.8
153.06746	3.3
160.00735	13.6
161.04596	1.2
161.23941	0.7
166.09871	1.9
167.04610	3.3
167.08272	2.2
171.07803	3.6
177.03374	3.6
179.04601	11.5
181.06183	1.6
184.10909	0.9
185.05673	3.1
192.07909	1.1
193.04994	0.8
197.05746	1.6
199.07356	1.0
210.08827	12.3
211.09125	0.8
222.97025	0.7
228.10010	0.7
242.07776	1.5
254.07819	15.8
255.08307	1.0
272.08890	27.8
272.11893	1.5
273.09192	2.0
288.06601	4.6
306.07654	100.0
307.07965	8.1
378.07953	5.2
380.09549	5.1
412.06793	4.7
452.09714	1.4
486.08734	2.7
591.35394	1.5
617.21655	0.8
704.15875	3.9
815.18964	2.4
832.46448	0.9
833.20099	17.8
834.19568	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	831.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.9
61.98815	5.0
78.95905	100.0
79.95735	1.6
80.96487	3.1
92.92810	1.8
92.99581	1.2
96.51656	1.4
96.96972	20.8
105.33558	1.4
116.97256	1.8
145.22168	1.4
147.27040	1.4
152.99586	26.4
190.94481	1.5
223.00098	7.1
229.71202	1.7
240.63528	1.2
241.01205	39.9
242.01392	1.5
255.23279	63.3
256.23679	6.2
259.02124	2.1
277.21716	39.3
278.22113	3.2
308.64499	1.5
315.05273	1.8
391.22620	7.5
433.31122	1.9
553.28229	7.0
831.50220	94.5
832.50641	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.0
61.98821	1.4
71.01381	4.2
73.02962	0.8
83.01406	0.7
85.02962	1.9
99.00982	0.5
101.02443	1.6
106.06630	100.0
107.06969	3.6
113.02435	3.4
116.92776	0.4
118.06647	2.7
119.03503	0.4
120.08248	0.6
123.08166	1.0
125.02473	0.5
134.95988	0.4
146.06114	1.5
150.05608	79.2
151.05954	4.5
161.04553	1.0
162.05565	0.6
163.11212	0.5
164.07175	12.9
175.04019	0.6
179.05476	0.5
189.12854	1.2
192.06657	8.4
193.05040	0.9
193.06956	0.6
194.04597	14.1
195.05057	0.6
207.13972	2.6
225.15021	0.6
235.98524	0.4
236.05629	1.9
254.67589	0.4
285.03775	0.6
296.07727	4.6
297.08322	0.7
321.85074	0.6
356.09860	58.1
357.10141	6.2
388.00470	0.5
429.21191	3.0
722.01086	0.5
802.25226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02385	2.0
64.69071	0.7
65.00336	1.1
67.85658	0.8
71.37388	1.4
71.57256	0.7
83.01392	2.0
87.00875	1.0
89.02444	1.7
99.67825	0.6
106.57649	0.7
107.01389	4.3
107.74668	0.7
125.02523	0.7
138.36055	0.6
149.04575	1.6
151.00385	16.3
164.01106	2.3
169.01419	1.5
211.03929	1.1
213.05472	0.7
227.03500	1.2
228.04024	0.8
241.04993	1.2
255.02974	12.1
256.03537	1.4
257.04626	4.2
269.04556	1.4
282.99353	1.3
283.02499	30.6
284.03232	37.3
285.04016	50.8
286.04315	4.8
297.03973	3.8
301.69287	0.7
327.05118	4.8
446.08795	3.7
447.09326	100.0
448.09653	14.1
489.10486	2.7
531.11469	1.1
609.14600	58.5
610.14984	11.7
725.44934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00567	1.7
59.01382	32.2
60.01703	2.0
61.98832	12.7
64.23129	1.5
65.85036	1.4
66.31711	1.5
70.08984	1.4
71.01384	40.6
71.61175	3.3
72.99296	3.9
73.01166	1.7
73.02953	9.0
73.36738	1.4
75.95771	1.4
78.95912	10.9
83.01398	9.6
85.02947	21.2
86.00087	1.7
87.00855	5.1
89.02445	13.2
95.01380	3.0
96.96011	46.0
96.96936	11.8
99.00867	5.6
101.02447	37.3
111.00904	7.5
113.02444	18.2
119.03477	4.7
129.01920	2.3
131.03477	2.2
142.76004	1.6
143.03525	1.9
149.04509	1.9
150.06628	1.7
161.04539	4.0
164.81198	1.4
165.05437	2.3
167.03342	2.1
191.38971	1.6
271.02490	1.9
345.30078	3.5
507.35297	5.0
669.40845	9.1
670.40204	2.2
743.99103	1.7
831.45953	100.0
832.46204	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.24
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.9
59.01382	14.9
69.03464	0.9
69.29050	7.2
71.01385	37.0
72.99316	1.7
73.02950	9.3
76.07907	0.8
83.01389	6.5
85.02951	6.7
87.00858	3.5
89.02448	15.1
93.03405	0.9
95.01384	1.9
97.02962	5.4
101.02445	26.2
109.02924	1.1
113.02452	9.8
115.00364	11.8
115.04015	1.3
116.92889	2.1
119.03505	6.0
119.04987	1.3
121.02963	2.5
125.02464	1.6
131.03523	2.1
132.02196	1.0
133.02954	2.8
134.03741	69.2
135.04091	2.8
136.01630	1.3
137.02435	12.0
139.04047	4.5
143.03529	6.2
145.02922	1.5
147.04530	1.2
149.04819	1.7
149.06081	22.2
150.03180	2.0
150.06395	1.1
151.00380	1.0
152.05412	5.0
161.02379	2.7
161.04565	25.9
162.03261	9.1
165.01965	4.6
177.05586	5.9
178.02710	44.7
179.03123	2.0
179.05602	17.8
180.04291	7.4
193.05058	100.0
194.05447	5.7
195.06618	11.3
199.31555	1.0
200.95174	0.9
221.06635	6.1
223.05957	1.3
255.03030	1.2
263.07773	6.6
284.03244	1.9
285.03961	1.5
301.03284	1.1
347.41910	0.9
353.10297	3.3
519.17004	5.9
667.14471	1.1
713.22961	57.8
714.23413	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	829.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	1.3
63.96222	1.0
69.03458	0.7
71.01384	31.4
72.99317	1.4
73.02537	1.7
73.02950	34.6
74.03291	0.7
75.00879	0.8
83.01384	11.1
85.02957	4.0
87.00890	2.4
89.02447	8.3
95.01405	1.4
97.84210	0.7
99.00920	1.7
99.39954	0.6
101.02445	35.9
101.34267	0.7
102.02762	1.0
105.84934	0.8
113.02457	13.2
113.95425	0.7
114.02795	0.9
119.03526	3.7
125.02483	1.2
127.03365	0.7
131.03517	3.0
132.99678	1.2
135.04486	0.7
143.03471	4.3
149.02492	0.8
149.04561	9.6
150.02333	2.0
151.00719	6.4
159.60364	0.6
161.04550	14.3
175.02524	0.8
179.05571	0.8
203.05650	3.5
221.06589	3.5
255.03125	2.5
271.02713	0.9
284.03305	2.5
285.04214	1.9
299.01947	0.7
300.02786	0.9
371.20645	5.3
413.21805	1.2
653.15002	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	829.4442
Annotation	Atriplicosaponin B
Peak:m/z	Relative Intensity
58.00581	3.7
59.01383	48.4
60.41436	1.2
61.98839	8.9
65.87418	1.1
68.20137	1.1
70.13864	3.6
70.14285	2.7
71.01386	49.5
72.99321	7.4
73.02943	11.9
83.01387	8.7
83.34910	1.1
85.02962	22.8
87.00865	5.4
89.02444	27.3
95.01389	4.7
97.02966	2.8
99.00893	5.2
101.02448	41.2
102.02788	2.0
111.00867	3.5
113.02442	18.5
113.43517	1.2
116.92829	1.4
119.03497	7.2
125.02453	3.7
134.03738	1.8
143.03506	2.0
159.03014	2.2
161.04558	6.8
162.01447	1.1
171.20787	1.2
177.00179	1.2
179.05606	2.5
193.05049	2.2
301.03473	1.3
307.10794	1.5
361.82767	1.3
412.63641	1.3
451.45190	1.4
474.16522	1.6
487.32639	3.2
488.18433	5.0
505.33603	3.1
548.19440	1.4
590.84412	1.3
649.37927	5.7
667.39130	15.7
668.39935	1.4
829.44458	100.0
830.44818	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	2.4
58.64190	1.3
59.01381	41.2
61.98837	8.9
69.94818	5.3
71.01389	45.1
72.99329	4.6
73.02946	9.6
75.00882	1.3
83.01370	7.0
85.02957	17.9
87.00879	5.5
89.02444	20.0
95.01395	4.1
95.41591	1.5
97.02957	1.5
98.20526	1.7
99.00898	3.3
99.17980	1.2
101.02447	29.8
111.00883	5.5
112.20086	1.2
113.02445	16.4
119.03500	6.0
121.80156	1.4
125.02450	2.5
129.01961	2.0
133.20810	1.3
134.03755	1.6
134.19160	1.2
137.02577	1.6
141.01976	1.4
143.03522	1.6
159.02991	3.3
161.04590	4.3
171.13925	2.8
179.05624	2.3
193.05128	2.6
218.32642	1.2
343.28592	1.4
487.32669	2.1
488.18262	5.5
505.33588	2.2
649.38141	4.3
667.21057	1.6
667.39209	9.7
829.44452	100.0
830.30481	2.5
830.44745	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.1
61.98825	9.2
62.97223	1.0
65.00334	1.6
67.01869	1.1
71.01383	14.2
71.61275	1.7
72.99313	1.4
73.02922	2.5
74.11617	0.9
75.00880	3.0
78.95870	1.2
83.01415	2.2
85.02952	14.0
87.00888	5.9
89.02454	5.2
95.01392	4.3
96.96033	1.7
99.00867	3.5
101.02459	5.3
103.00350	1.6
107.01429	1.7
108.02205	1.2
113.02459	16.3
115.00364	2.4
119.05022	4.2
125.02450	2.5
129.01923	1.4
132.02165	4.2
133.02951	2.6
134.03746	13.1
149.06038	2.5
151.00371	6.2
158.99348	1.0
160.01663	20.3
161.02345	3.9
161.04581	1.2
175.02466	7.1
175.03999	18.6
178.02675	3.1
178.99846	1.2
183.04520	2.0
193.05075	7.5
199.03998	3.5
201.01982	1.1
215.03505	1.3
225.45908	1.0
227.03528	4.6
242.02144	2.4
243.02965	23.3
244.03395	3.2
255.02968	10.1
257.04599	2.9
270.01743	3.1
271.02466	34.4
272.03009	4.1
284.03201	1.9
285.04114	8.2
286.04678	1.8
287.05484	1.2
298.98538	2.2
299.01959	43.9
300.02713	29.3
301.03156	3.5
313.03415	1.9
314.04352	45.3
315.05057	48.5
316.05444	3.7
337.09299	3.7
390.63898	1.0
459.09311	9.2
477.10168	3.5
529.15515	1.0
653.15118	100.0
654.15509	20.4
707.28577	1.2
725.17120	1.4
804.46570	1.3
829.18701	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	829.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.4
61.98820	0.8
63.02394	0.9
65.00313	0.8
69.50735	4.1
71.01380	8.1
72.99315	1.5
73.02987	1.2
75.00878	2.0
78.57388	0.5
83.01380	1.4
85.02948	11.4
87.00889	2.5
89.02444	1.8
95.01380	3.2
98.19868	0.9
99.00880	4.0
101.02448	1.5
103.00397	1.0
107.01403	1.2
108.02153	0.6
113.02451	17.9
115.00352	1.2
117.01943	1.0
125.02437	0.7
132.02179	3.3
133.01439	0.5
133.03001	0.8
134.03740	10.6
134.04712	1.0
134.06102	1.5
135.04411	0.7
136.38098	0.6
140.89957	0.5
143.05067	0.6
147.00912	0.6
149.06099	1.6
151.00368	6.0
153.01892	0.5
160.01663	16.9
161.02492	2.5
169.01413	0.7
171.04483	0.6
174.55571	0.5
175.02472	5.0
175.03996	18.9
176.04404	0.8
178.02745	1.5
183.04434	1.1
187.03954	0.7
193.05090	5.3
199.04024	5.2
201.01929	0.8
203.03499	0.7
211.03979	0.7
215.03470	1.4
226.02888	0.6
227.03476	4.3
242.02150	3.5
243.02977	18.8
243.80661	0.6
244.03444	1.9
255.02985	11.3
256.03482	1.3
257.04559	3.6
259.06241	0.6
270.01706	3.2
271.02463	31.7
272.03021	4.1
279.07941	0.5
285.04056	6.6
286.04752	2.1
287.05545	1.3
299.01959	42.3
300.02686	21.3
301.03168	2.3
313.03677	1.7
314.04309	42.9
315.05060	44.1
316.05444	3.1
323.07626	1.5
328.05804	0.6
329.06647	0.9
337.09167	2.3
357.06085	0.7
459.09302	10.6
460.09689	0.9
477.10284	1.9
516.02679	0.6
588.62292	0.7
653.15100	100.0
654.15436	21.6
695.15637	1.5
770.94678	0.6
798.27545	2.5
828.42694	0.6
829.18396	1.8
830.29901	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	825.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	68.9
67.14623	33.2
70.18215	100.0
70.18620	53.7
78.95883	42.4
98.20529	38.3
196.89471	90.9
209.69312	29.4
529.71240	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.6
61.98836	7.8
63.02397	1.5
65.00327	2.6
69.32075	1.2
69.32489	3.2
70.22742	0.5
72.99311	0.6
73.02969	0.9
78.95917	0.5
81.07851	0.4
83.01387	1.9
85.02950	1.0
87.00876	1.5
89.02449	1.5
89.13374	0.4
91.01865	0.7
93.03461	2.0
101.02438	2.0
101.94122	0.5
107.01391	5.0
108.02194	0.7
109.02963	1.3
113.02471	1.4
117.03456	0.9
119.03546	0.7
119.04992	0.8
125.02448	1.2
132.02174	10.1
133.02946	1.5
134.03751	7.4
135.00873	2.5
135.04550	0.6
137.02385	1.1
143.05016	1.2
145.02940	0.6
147.04503	0.6
149.06059	0.9
151.00360	6.0
153.01891	0.7
154.04198	0.5
157.06618	0.6
158.03778	0.6
159.04509	1.8
160.01656	26.0
161.02437	5.0
161.04553	0.6
163.00394	3.1
164.01125	1.1
167.05031	0.9
168.40099	0.5
169.01363	0.9
169.06593	1.0
171.04495	1.0
175.02486	1.1
175.03999	19.5
176.04257	1.0
178.02719	0.6
178.99834	1.0
182.03679	0.6
183.04539	2.8
185.02496	0.9
185.06085	3.6
187.03972	4.0
189.05544	1.3
193.05086	4.1
195.04614	0.7
197.06067	1.3
199.03987	1.8
200.04671	0.7
200.39021	0.5
201.05559	1.3
211.04001	5.7
212.04712	0.8
213.01913	0.8
213.05521	3.1
223.04018	0.6
227.03494	55.9
228.03867	5.0
229.05045	12.2
230.05452	1.0
239.03505	3.0
240.04211	1.1
241.05023	2.1
255.02974	99.2
256.03571	14.9
257.04517	8.9
267.02945	0.8
268.03809	0.9
269.04431	0.7
283.02472	6.9
284.03250	100.0
285.03995	88.1
286.04407	8.1
299.05637	1.7
527.13983	1.1
541.15631	2.9
573.12866	0.7
591.13397	1.2
605.91528	0.6
633.14539	1.5
651.15735	5.7
652.16168	1.2
665.17230	0.9
683.39374	0.7
710.34015	0.6
767.18341	1.1
816.28271	0.6
827.20410	74.7
828.20721	22.4
828.36603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.3
60.01688	0.3
62.16355	0.3
63.64965	0.3
68.80280	0.3
69.51083	0.3
71.01385	6.2
72.99274	0.3
73.02962	2.4
83.01402	1.0
85.02948	1.6
87.00875	1.2
89.02457	3.9
97.02954	1.0
98.20657	0.5
101.02448	5.6
105.03448	0.5
108.20608	0.3
113.02470	2.1
116.79919	0.3
117.03487	1.0
117.89124	0.3
119.03503	1.3
125.02469	0.5
131.03526	1.0
132.02122	2.1
133.02960	34.2
134.03288	1.8
135.04539	3.4
138.53055	0.4
143.03503	1.1
154.90279	0.4
161.02452	100.0
161.04382	7.4
162.02798	5.2
177.05699	0.4
179.03511	3.4
179.05611	2.8
203.03471	1.9
210.39847	0.4
221.06723	1.8
236.55353	0.3
263.07782	0.7
305.08752	0.4
323.07272	0.5
341.11081	1.0
383.12149	3.5
418.83127	0.3
443.11826	0.6
485.12955	1.2
503.13892	2.1
529.09943	0.3
545.15112	4.5
546.15417	0.9
809.24127	0.9
827.24744	7.9
828.24866	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	827.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
66.19682	0.2
66.34013	0.2
71.01389	5.8
71.01762	0.4
71.59431	0.2
71.59758	0.3
73.02949	0.8
77.04018	0.2
83.01386	0.3
84.28419	0.2
85.02950	1.2
85.69978	0.2
87.00884	1.1
89.02448	5.3
93.57085	0.2
100.17000	0.2
101.02440	2.9
103.84770	0.2
105.03422	0.4
113.02476	2.3
117.03465	0.9
119.03494	1.8
125.02448	0.5
131.03516	0.7
132.02173	1.7
133.02963	31.7
134.03276	1.2
135.04535	6.0
137.44423	0.3
142.32715	0.2
143.03519	0.6
149.02264	0.3
161.02448	100.0
162.02785	5.5
177.05522	0.4
179.03510	5.7
179.05611	4.8
180.03854	0.4
180.05930	0.3
203.03511	2.2
221.04662	0.3
221.06676	0.8
305.08801	0.3
323.07742	0.9
341.08710	0.6
383.09702	4.1
384.10156	0.4
397.52582	0.3
443.11975	0.8
545.15656	0.4
647.18500	2.2
648.18640	0.4
665.19324	20.9
666.19672	4.4
827.24634	3.3
828.25085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.0
61.98829	10.2
69.56236	4.9
69.56664	4.6
71.01389	11.2
72.99314	2.2
73.02943	3.0
73.54096	1.2
75.00883	27.6
75.64359	1.4
76.36081	1.3
80.05051	2.3
83.01397	2.0
85.02942	4.3
87.00877	4.7
89.02455	6.5
94.06626	21.9
95.06921	1.4
99.93726	1.2
101.02460	7.7
106.06622	3.0
108.04543	4.5
113.02435	3.6
119.03497	2.9
120.04525	2.1
122.06133	18.1
124.07687	13.6
134.03696	1.7
134.06134	11.4
149.04793	4.6
150.05609	37.1
151.05939	2.3
152.07111	2.3
161.04524	2.4
162.05620	12.0
175.95685	1.1
179.05682	2.1
180.14349	1.4
196.07687	2.9
211.05165	5.6
211.08723	2.9
225.06625	1.7
225.10318	1.4
227.08334	3.0
239.08257	9.2
239.11852	2.9
240.08968	2.3
241.09856	2.5
245.12903	3.4
249.06650	1.4
253.06117	3.6
253.09746	2.6
255.07756	3.3
255.11514	2.7
257.12878	2.0
265.09756	3.3
266.06934	1.3
267.07782	24.0
267.10947	2.6
268.08176	3.6
269.13062	3.2
278.08087	2.1
279.07773	4.8
280.08337	3.1
281.09256	4.8
283.10858	4.9
284.08298	1.4
287.10718	2.0
287.13980	22.1
293.09305	5.3
295.10776	5.0
296.11185	1.7
297.12411	2.5
299.10397	3.7
309.08759	5.8
313.11914	1.8
321.08734	8.8
322.09024	2.8
323.10379	1.7
341.11243	1.6
351.05191	1.3
497.27609	11.1
498.27954	2.3
546.35785	1.5
743.30383	1.5
771.28839	7.3
775.32233	3.1
803.31464	100.0
804.31866	34.3
821.32721	5.8
822.32336	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	819.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.9
59.01380	45.0
61.98821	9.7
69.75749	15.6
71.01383	33.4
72.99294	4.4
73.02929	4.1
78.61256	2.3
82.57001	2.4
83.01363	3.9
85.02941	8.1
86.28205	2.6
87.00877	5.0
89.02454	25.5
92.83309	2.4
94.54240	2.7
95.01373	2.4
96.95998	3.8
99.00891	2.3
101.02446	16.3
105.05044	2.2
106.06599	4.6
113.02430	10.8
119.03459	4.7
122.06102	6.7
134.06126	50.4
140.36880	2.6
150.05566	10.1
150.06636	2.7
152.07115	10.6
157.71786	2.4
160.01758	2.6
165.02470	2.2
179.05534	4.5
179.55498	2.5
210.07945	2.6
211.08829	13.8
222.66154	2.4
223.08636	3.1
225.10237	3.9
237.06671	13.7
239.11942	3.0
250.07491	6.9
251.08220	10.0
252.08626	2.7
263.08289	4.3
265.09692	15.9
272.56808	2.3
277.09756	3.3
296.11258	2.5
358.15454	7.9
372.17050	3.2
384.13434	8.2
396.07050	2.8
397.14297	2.8
416.15738	4.8
430.17548	5.5
470.17075	3.1
502.19672	3.5
506.40613	2.9
517.21936	8.8
520.20795	3.6
615.46692	2.9
639.28491	3.5
665.25629	8.4
697.28406	63.2
698.29510	11.8
787.32068	27.4
788.32379	2.9
819.34497	100.0
820.35217	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	2.4
59.01379	44.3
61.98816	6.1
63.23560	1.4
68.01907	1.4
70.76734	2.3
70.77060	2.9
71.01383	36.4
72.99301	3.6
73.02941	3.1
75.00879	1.7
83.01373	3.7
84.68392	1.7
85.02961	10.0
87.00849	4.5
89.02443	22.9
95.01369	3.7
96.95978	2.1
97.02934	1.5
101.02451	17.8
106.06609	4.4
113.02449	12.7
113.06930	1.7
116.92874	1.7
119.03498	6.4
122.06113	13.6
134.06120	53.9
135.06458	2.4
150.05615	7.5
150.06673	1.5
152.07155	10.3
161.04579	3.8
179.05754	2.3
190.05063	1.9
209.16330	1.4
211.08818	8.7
215.11688	2.0
223.08818	3.6
224.09479	1.9
225.10329	5.5
235.08760	2.0
236.05846	2.5
237.06696	11.3
237.10258	3.4
238.07048	2.1
239.11821	1.8
250.07417	6.2
251.08246	9.4
252.08936	1.8
253.09596	1.5
263.08215	3.2
264.08942	3.8
265.09824	11.9
266.10318	2.6
273.96100	1.5
277.09833	4.1
279.11392	3.3
283.81473	1.6
295.10950	1.9
297.12384	3.6
301.15497	3.7
305.09354	3.0
307.10736	3.3
314.12436	4.9
331.13763	1.6
337.12177	7.1
339.13373	2.4
341.10956	2.0
344.13870	4.1
346.15521	3.1
356.13959	3.8
357.14978	1.9
358.11850	2.5
358.15631	5.8
370.15714	3.2
371.16278	2.7
372.13394	2.9
372.17548	2.6
373.14008	2.1
376.16714	1.6
384.13419	4.2
385.17612	1.8
386.14905	2.0
398.14951	4.2
399.15543	3.0
400.16290	2.6
412.16513	2.7
416.15869	3.0
418.17630	2.0
428.16153	2.0
460.18460	3.6
470.17154	1.5
472.18622	1.9
492.21417	2.1
502.19965	2.8
517.17419	4.1
517.22198	5.2
518.23022	2.5
520.20947	3.6
536.24030	2.0
607.24628	2.3
625.22284	1.9
639.28271	4.2
657.24969	4.0
664.24933	4.4
665.25897	5.5
666.26349	2.1
696.27478	3.4
697.28491	50.5
698.28644	13.3
732.30396	2.2
733.31036	1.8
745.30750	4.7
746.31671	3.2
755.29022	6.1
756.29877	2.3
787.31952	39.2
788.32129	10.1
802.29205	1.9
819.34467	100.0
820.34943	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
58.00602	2.4
59.01381	100.0
60.01718	1.5
61.98841	3.5
65.38208	0.4
71.01385	47.0
71.62034	0.5
72.01739	0.6
72.99319	3.8
73.02950	4.2
81.03466	0.5
83.01396	3.7
85.02951	10.6
85.03437	0.8
87.00877	4.3
89.02448	54.0
90.02765	1.1
93.03473	0.6
95.01375	3.1
97.02989	1.0
99.00880	2.1
101.02448	31.6
102.02814	0.5
111.00879	0.4
113.02454	22.0
114.02817	0.7
119.03505	29.6
120.03883	0.7
125.02428	0.9
131.03514	3.1
143.03516	8.2
149.04572	3.0
151.00319	0.6
159.03052	1.0
161.04565	10.8
163.17403	0.4
175.03975	0.5
176.00816	0.5
179.05618	23.9
180.05949	1.0
190.02791	0.8
191.03236	0.5
193.05194	0.6
205.05186	0.6
215.67607	0.5
227.03485	2.9
228.03925	2.0
229.04033	0.6
235.59428	0.4
255.02992	5.3
256.03372	4.2
257.03723	1.4
284.03268	7.1
285.03763	5.8
286.04041	2.8
286.70886	0.5
287.04605	0.6
414.63834	0.5
483.32047	0.4
577.37543	4.0
578.38312	0.7
592.14563	0.6
593.14313	0.5
595.38416	2.9
596.38635	0.5
611.15295	0.5
627.97083	0.5
673.52826	0.5
757.43707	10.7
757.55933	0.7
758.44873	3.1
817.20886	3.4
818.21234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01736	1.0
61.98830	10.5
71.01373	2.4
71.60726	0.9
71.61108	1.0
78.98598	1.5
80.96523	3.0
83.01356	1.0
87.00895	1.2
89.02439	1.7
97.02930	1.9
112.98814	0.8
113.02489	1.2
125.02433	1.0
126.94980	0.8
141.01707	54.1
142.01997	1.0
197.51663	0.8
235.08130	1.3
277.21710	5.2
359.22040	3.4
397.13434	10.7
398.13943	0.9
415.14203	1.5
419.11609	3.3
437.12567	4.1
469.06409	1.8
697.34174	1.6
731.09979	0.9
807.95947	0.8
817.50146	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	817.384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01721	2.0
61.98829	8.1
71.01392	3.1
71.60956	1.0
73.02993	0.8
80.12109	0.8
80.96528	1.3
82.96108	0.8
83.52081	0.8
89.02463	2.5
96.99342	1.1
97.02985	1.7
101.02433	1.8
106.17779	1.1
106.93545	0.8
107.06763	0.7
113.02489	1.0
125.02464	1.4
141.01715	46.2
142.05113	1.2
159.89418	0.8
162.03062	0.7
225.00755	0.9
230.98073	0.9
277.21768	4.9
359.22183	3.7
388.19089	0.8
397.13553	9.8
398.13818	1.2
415.14606	2.3
419.11761	2.4
437.12741	2.9
469.06543	2.1
675.35999	1.1
697.34015	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	817.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
61.98830	1.0
65.00295	1.4
71.01373	2.8
71.60520	0.9
77.63300	0.7
83.01376	0.9
85.02947	1.8
95.01411	0.8
99.00856	1.0
101.02441	0.7
107.01400	1.9
113.02480	2.0
117.01950	0.9
123.00986	0.9
125.02440	1.3
135.00900	0.7
137.02423	2.3
147.04462	0.9
149.02464	1.3
150.24994	0.9
151.00388	7.5
155.04973	0.9
159.04524	0.8
161.02434	2.4
163.00386	2.9
164.01158	7.5
177.01927	1.1
178.99840	7.0
184.63385	0.7
187.03912	1.3
189.01740	0.7
193.01443	1.5
199.04004	2.4
201.01939	2.4
203.03423	3.7
215.03499	1.0
227.03535	4.7
229.01422	1.1
230.02184	0.8
231.03024	4.2
232.03595	0.8
243.02939	2.8
255.02960	3.1
271.02484	72.5
272.02863	7.0
287.02075	1.2
299.01978	100.0
300.02335	10.2
301.03516	1.0
316.02206	5.2
317.03094	5.8
345.04752	1.4
355.03360	0.7
412.05746	0.9
461.13681	0.9
475.05182	43.0
476.05460	5.2
493.06448	5.8
641.13495	3.5
817.16541	5.7
818.17102	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	817.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.5
58.75731	3.5
59.01381	9.0
63.02409	7.0
65.00326	19.7
71.01385	10.5
72.99306	4.4
83.01402	13.7
85.02956	7.7
87.00918	5.3
89.00334	4.3
91.23368	3.3
93.03481	5.0
95.01402	9.3
98.20621	9.7
99.00857	6.5
103.00406	4.9
107.01382	22.6
109.02972	6.9
111.00893	17.1
113.02478	12.7
117.03459	8.2
121.02939	7.3
123.00867	5.3
125.02476	23.8
137.02393	8.4
139.00381	26.7
147.04469	3.8
151.00371	82.8
151.03951	3.9
152.01056	8.5
153.01981	9.1
159.04419	6.1
161.02385	4.9
163.00400	19.4
164.01155	16.3
164.98175	4.6
165.01926	12.5
166.99904	4.4
169.01418	16.4
171.04544	6.4
178.99872	90.3
180.00317	6.4
183.04510	7.3
190.99890	9.8
192.00655	10.9
193.01462	11.8
199.04037	11.6
202.02803	4.1
203.03470	5.7
205.01460	5.6
208.00081	7.4
211.03979	5.1
215.03664	4.9
217.05009	4.3
227.03510	27.9
229.05087	5.5
231.02890	7.9
241.01471	3.9
242.02225	6.3
243.03040	23.8
245.04362	7.9
255.03008	63.2
256.03427	15.8
257.04550	5.0
259.02472	16.6
270.01712	8.7
271.02432	55.2
272.02884	11.2
273.03943	8.9
283.02478	33.5
284.03189	45.4
285.04028	33.6
286.04489	7.3
287.02036	9.0
298.01321	5.9
299.01947	100.0
300.02515	14.4
301.03320	11.3
316.02234	35.7
317.03027	62.6
318.03314	6.6
330.03903	4.4
355.03131	9.6
447.09326	29.0
448.09763	5.5
460.06238	3.9
461.07208	5.0
475.05222	8.7
493.06097	49.1
494.06616	5.9
607.12756	4.6
623.12280	17.6
630.84668	4.0
641.13617	61.8
642.14001	10.8
784.16357	6.6
817.16443	21.9
818.17902	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	815.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01378	2.2
61.98834	2.1
63.96242	2.1
64.97060	0.2
69.03461	1.0
70.02242	0.5
70.02644	0.8
71.01384	11.4
72.99321	0.4
73.02959	1.8
75.00877	0.2
78.95909	0.3
78.98593	8.4
79.95739	17.6
80.96519	100.0
81.03455	0.8
81.96462	0.3
83.01399	0.4
85.02945	3.4
87.00873	4.2
94.98090	22.6
95.01360	0.4
96.96014	1.4
97.02959	2.0
99.00883	0.8
101.02452	2.5
106.98089	5.2
113.02458	0.5
119.28124	0.2
121.96867	0.2
122.97593	5.2
125.02449	3.2
126.30492	0.2
127.04015	0.9
134.97591	6.5
136.99146	1.8
138.41972	0.2
138.97070	0.3
141.01723	1.0
143.03535	0.2
143.99094	1.1
146.97601	0.6
148.99146	8.5
152.98637	7.7
161.04562	0.2
164.98631	15.2
165.98967	0.3
167.00179	0.5
179.00201	0.4
180.05363	0.2
180.89981	0.2
188.98633	0.6
194.96902	0.2
200.20819	0.2
206.99706	3.1
222.93851	0.2
225.00742	18.6
225.99208	0.3
226.01094	0.9
255.23315	1.9
277.21652	0.9
277.52246	0.2
278.22131	0.2
279.23022	0.2
283.04980	0.6
305.02371	0.3
428.25262	0.3
530.19849	0.2
537.27313	1.5
559.25684	1.3
722.22778	0.3
753.71002	0.3
815.49835	87.3
816.50183	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	32.8
61.98841	2.1
62.94485	1.8
69.03432	2.0
71.01383	41.3
72.99315	2.7
73.02952	12.8
74.82465	1.9
83.01389	4.6
85.02953	8.8
87.00884	8.1
89.02447	27.3
91.01904	10.2
95.01401	5.5
96.96008	2.2
97.02963	4.8
97.95665	1.8
99.00897	2.5
101.02449	32.0
108.02168	8.2
109.02926	2.0
111.00847	2.3
113.02454	16.6
119.03484	10.6
120.80069	2.0
123.04530	34.8
125.02449	3.7
131.03491	6.9
133.02953	3.4
143.03502	5.4
146.18541	2.4
152.01111	11.1
159.03041	3.5
161.02467	15.0
161.04530	18.4
167.03502	100.0
168.03777	4.7
179.05615	22.3
209.04543	24.8
221.06717	12.7
234.97684	2.1
243.03006	3.2
271.02438	2.8
283.63675	2.7
296.50800	2.0
299.01901	3.5
311.07718	2.1
314.04419	3.6
315.05032	6.0
323.13416	16.1
329.08997	2.0
383.11819	5.4
402.72693	2.3
491.13782	5.1
533.15106	47.2
534.15460	7.4
639.15125	7.2
758.25916	2.2
815.25110	17.1
816.24878	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	815.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01382	100.0
60.01725	1.1
60.94603	0.5
61.59961	0.5
61.98831	2.6
68.91309	0.5
71.01392	13.4
71.61334	0.8
72.99299	0.6
73.02950	4.0
75.00880	0.5
83.01415	1.9
83.05049	0.8
85.02956	5.3
85.03391	0.6
87.00896	1.7
87.30780	0.5
88.43753	0.6
89.02438	9.3
89.02905	0.7
93.03461	0.6
95.01414	1.3
96.96020	0.6
99.00917	1.1
101.02444	6.6
107.01392	0.8
108.02189	0.6
109.02987	0.7
109.64427	0.5
113.02449	7.6
115.00393	0.9
116.92876	3.1
119.03503	3.9
123.04501	0.6
123.08177	4.0
125.02484	0.9
133.02965	6.6
134.03662	0.6
135.04524	11.1
135.05472	0.8
136.01811	0.5
137.09769	1.3
143.03506	1.7
149.04611	1.4
151.00395	1.6
160.01669	0.6
161.02451	21.5
161.04445	3.7
162.02826	1.6
163.11287	2.9
175.02548	0.6
179.03499	6.5
179.05658	3.9
189.12830	5.7
193.05029	1.1
203.05667	1.8
204.35980	0.5
207.13910	9.1
208.14427	0.6
220.79848	0.5
221.06656	1.2
225.15027	2.4
227.03598	0.8
243.03053	2.5
255.02867	3.1
271.02377	4.2
284.03259	0.6
285.04037	1.2
299.02170	1.8
300.02753	7.6
301.03497	1.8
314.04477	1.4
315.05109	16.5
316.05530	1.4
323.07681	8.5
323.10977	0.8
341.10883	11.7
341.14682	0.8
342.11325	1.1
387.20465	2.2
412.78033	0.6
429.21301	14.5
430.21793	2.3
537.33258	0.8
603.87366	0.6
625.14154	0.7
639.13635	16.3
640.13745	4.0
691.10187	0.6
815.16992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
59.01370	4.7
63.02402	1.1
70.91705	1.5
71.01380	8.6
83.01414	1.3
85.02959	9.7
87.00883	2.8
89.02466	1.1
95.01385	2.1
99.00880	2.4
101.02445	1.7
103.00396	1.0
107.01383	2.0
113.02445	9.8
115.00368	2.0
117.03442	1.7
125.02424	1.5
133.01445	2.7
145.03012	4.4
146.03278	1.9
151.00392	5.9
158.27518	0.8
160.01657	2.7
163.03990	1.2
169.01411	1.3
171.04401	1.1
175.02458	3.7
175.04005	2.3
179.05499	1.2
187.04012	1.3
199.03981	3.4
215.03520	2.7
227.03418	4.5
228.03896	1.3
241.05019	0.9
242.02228	4.7
243.02975	35.3
244.03389	3.5
255.03000	10.3
255.05566	1.1
255.06612	0.9
256.03464	1.9
257.04544	9.9
270.01675	6.6
271.02454	44.9
272.03033	4.9
284.03253	1.4
285.04016	15.2
286.04681	4.0
287.05560	1.6
293.12384	2.8
299.01971	27.8
300.02713	35.7
301.03110	3.0
314.04321	49.1
315.05075	100.0
316.05341	10.7
357.06204	2.1
489.10077	1.6
491.08179	1.6
639.15643	79.5
640.16107	16.0
681.16870	1.3
711.17670	1.3
815.18787	19.0
816.19556	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	815.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
61.98835	3.1
63.02388	1.2
65.00327	1.6
69.72770	2.9
82.20364	0.4
83.01398	1.3
85.02942	0.8
88.98801	0.5
89.02448	1.2
91.01918	0.6
93.03455	1.5
95.01420	0.7
101.02464	1.3
107.01400	3.4
109.02924	0.6
113.02432	1.0
117.03519	0.5
119.01373	1.2
121.02952	1.0
125.02426	0.5
132.02194	1.8
134.03700	0.5
135.00902	1.3
143.05054	0.9
147.00833	0.8
149.02443	3.0
150.03242	0.6
151.00377	6.0
157.06523	0.6
159.04510	0.8
159.63008	0.5
161.02414	0.7
161.04543	0.7
163.00369	1.2
164.01074	0.5
164.04781	1.7
169.01428	0.8
169.06538	0.5
171.04579	0.8
173.06157	0.5
175.00371	5.9
175.14740	0.5
176.01082	2.0
177.01839	0.5
178.99841	1.5
179.07071	0.6
183.04486	1.9
185.02321	0.7
185.06142	1.0
187.04016	2.2
190.02724	10.9
191.03423	3.9
195.04492	0.6
199.03978	1.2
200.04770	0.9
201.05605	1.0
205.05064	11.6
206.05493	0.8
209.04436	0.6
211.03993	3.0
212.04689	0.6
213.05450	1.0
223.06111	2.2
227.03491	48.8
228.03842	4.3
229.05045	4.9
239.03322	2.2
240.04230	0.5
241.04962	1.1
255.02983	84.6
256.03482	11.7
257.04520	3.9
283.02493	4.5
284.03256	100.0
285.03958	38.2
286.04330	2.3
298.04846	1.1
299.05637	1.1
327.05151	0.9
411.07214	1.0
429.08176	1.4
451.03629	0.5
515.13574	0.6
529.15613	0.7
591.13550	12.2
592.13263	2.3
609.14594	14.5
610.15118	2.6
623.15948	2.7
815.20374	40.3
816.20795	11.5
816.35822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
58.00584	0.3
59.01381	6.4
69.03439	0.4
70.73091	0.4
70.73440	0.5
71.01379	8.4
72.99310	0.3
73.02955	3.8
79.53672	0.2
83.01392	1.6
85.02953	2.1
86.02687	0.2
87.00890	1.4
89.02441	5.2
95.01382	0.7
97.02965	1.5
99.00873	0.4
101.02447	9.5
113.02452	3.0
117.03468	38.7
118.03790	1.6
119.03542	2.0
119.05027	6.2
125.02451	0.7
125.50153	0.2
131.03505	1.7
132.05829	0.3
133.06598	0.7
143.03502	1.2
145.02957	100.0
146.03281	4.7
159.04497	0.5
161.03214	0.5
161.04564	8.7
161.06070	1.8
161.07329	0.3
162.04953	0.3
163.04007	10.9
164.04303	0.5
179.05627	5.9
187.04012	8.8
188.04350	0.6
205.05054	3.5
206.05328	0.3
221.06670	2.6
229.04927	0.3
242.49036	0.3
263.07736	0.6
289.06979	0.2
307.08246	0.5
325.09323	0.6
341.10852	2.1
367.10309	1.4
383.11862	3.5
391.09976	0.3
427.12637	1.4
451.12793	0.3
469.13562	1.5
487.14590	3.6
488.14899	0.6
529.15558	13.3
530.15771	1.7
811.25116	2.6
812.25934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.7
70.91644	3.1
85.02955	8.2
91.14378	1.1
95.01363	1.9
95.23438	1.4
99.00858	2.5
113.02451	8.2
117.01900	1.5
134.41315	1.1
151.00316	5.2
162.35732	1.2
175.02460	3.8
178.99843	1.4
199.04063	2.8
212.71236	1.3
215.03481	2.4
227.03412	4.2
229.01427	1.2
242.02150	4.4
243.02982	35.7
244.03458	3.4
255.02972	7.6
257.04562	7.4
258.51987	1.2
269.35446	1.2
270.01770	6.3
271.02466	42.0
272.02972	4.5
285.03958	12.3
286.04691	4.4
287.05661	1.7
299.01944	27.4
300.02695	30.2
301.03140	3.0
314.00604	2.2
314.04303	44.4
315.05063	100.0
316.05399	10.5
357.06451	1.4
639.15631	78.5
640.15991	17.2
681.16699	2.3
815.18945	17.5
816.19171	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	815.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01379	5.7
63.02403	1.4
65.94057	1.0
68.99841	0.9
72.99310	1.6
75.00874	2.8
83.01396	2.6
85.02485	1.5
85.02949	11.1
86.96931	1.0
87.00858	2.7
89.02442	1.6
90.91214	0.8
95.01390	2.8
99.00888	2.9
103.00408	1.2
107.01405	2.5
108.54608	0.8
113.02449	13.5
117.01917	1.1
120.38448	0.9
124.80503	1.1
131.63417	0.8
151.00374	7.3
175.02480	4.6
178.79567	0.9
178.99907	3.5
183.04514	1.4
196.95207	0.9
199.03963	5.1
203.03459	1.2
215.03383	2.0
227.03506	5.7
242.02179	5.2
243.02969	36.5
244.03369	3.6
244.67134	0.9
255.02942	12.3
256.03290	1.7
257.04581	6.8
270.01703	8.2
271.02469	43.3
272.02847	5.6
285.04047	13.6
286.04822	4.4
287.05548	2.0
299.01953	69.4
300.02618	21.4
301.03262	1.1
313.03525	13.0
314.04309	100.0
315.05014	43.6
316.05334	3.2
356.05417	1.0
459.09476	2.0
477.10199	2.0
605.76147	1.0
639.15643	95.3
640.16064	17.4
690.13861	1.1
711.17059	1.1
815.18872	22.8
816.19250	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	809.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63878	40.4
61.98851	84.0
71.41238	77.0
87.45151	52.2
100.10702	48.1
114.23204	50.0
145.45006	45.7
277.21561	100.0
365.53708	51.1
423.52621	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.5
59.01376	9.5
69.03508	0.3
71.01379	8.8
71.14548	0.5
72.12624	0.3
72.99303	0.6
73.02936	1.6
83.01367	0.7
85.02954	2.6
87.00882	1.3
89.02447	10.4
95.01398	0.8
97.02928	0.5
99.00956	0.4
101.02440	8.8
102.02816	0.3
113.02447	3.5
117.03465	39.7
118.03798	1.8
119.03536	3.1
119.05013	6.5
119.07292	0.3
125.02453	1.3
131.03467	1.5
133.06586	0.4
143.03471	1.3
145.02950	100.0
146.03299	5.2
149.04518	0.5
159.04497	0.8
161.04561	3.8
161.06076	1.1
163.04010	11.3
164.04333	0.6
179.05612	14.7
180.05910	0.6
187.04008	8.0
188.04315	0.6
205.05046	1.4
209.42801	0.3
217.05124	0.6
221.06633	3.4
235.06183	0.5
305.08884	0.6
323.09918	1.1
325.09277	0.3
341.10858	5.5
342.11343	0.5
352.16513	0.3
367.10349	2.6
383.11908	2.7
397.11432	1.4
427.12476	2.6
428.12866	0.4
469.13290	1.6
487.14719	2.5
488.14777	0.4
529.15601	10.0
530.15991	1.9
811.24835	2.1
812.26404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.2
65.52361	0.3
70.73189	0.7
71.01378	8.7
73.02951	1.6
75.40063	0.3
83.01429	0.5
85.02963	2.8
87.00879	1.1
89.02447	9.6
95.01401	0.5
99.00896	0.5
101.02445	8.6
108.41354	0.3
113.02440	3.4
117.03465	37.7
118.03799	1.6
119.03525	4.1
119.05021	7.5
120.05321	0.5
125.02474	1.1
131.03529	1.7
133.06627	0.5
143.03516	1.3
145.02950	100.0
146.03296	4.6
156.70248	0.4
159.04507	1.1
161.04558	4.2
161.06024	1.0
163.04002	10.1
171.33195	0.3
179.05605	14.9
187.04008	9.1
188.04488	0.4
204.53745	0.3
205.05106	1.9
217.04987	0.5
221.06709	2.3
229.05180	0.6
235.06096	0.5
305.08728	0.6
323.09845	1.5
325.09253	0.5
341.10858	4.6
342.11264	0.9
367.10275	2.3
383.12006	3.4
397.11328	1.4
427.12454	3.2
428.12970	0.5
469.13501	1.6
487.14432	3.2
488.56119	0.4
529.15594	12.4
530.15771	2.1
566.88269	0.4
811.25623	2.7
812.25476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91504	0.7
59.01389	0.9
61.98830	1.1
63.02388	0.8
65.00336	0.7
69.76841	4.0
96.96019	0.8
107.01381	1.2
107.76640	0.7
126.90426	2.9
127.00402	0.8
135.00803	0.9
151.00400	4.1
160.01642	1.1
161.95413	0.7
163.00314	0.8
169.70345	0.8
175.04037	0.8
178.99849	1.0
183.04503	1.6
206.78625	0.7
209.83568	0.8
211.03847	1.6
227.03473	11.3
228.03850	1.3
229.05125	1.3
236.40979	0.7
255.02975	45.3
256.03485	5.0
283.02478	61.6
284.03210	55.3
285.04001	29.0
286.04294	2.0
293.12643	1.7
326.04330	0.7
363.28851	0.7
429.08725	1.6
438.65814	0.8
446.08569	6.1
447.09055	3.8
448.09534	0.8
609.14606	100.0
610.14996	19.8
644.92090	0.8
703.74738	0.8
771.19879	5.0
772.19934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
61.98838	4.8
62.21565	0.5
63.02392	2.2
65.00317	1.0
69.26329	6.2
71.01376	2.3
76.63013	0.7
77.54910	0.6
83.01384	1.9
85.02956	0.8
89.02447	2.0
92.03297	0.5
94.98933	0.5
96.96033	1.0
98.20640	1.2
98.82659	0.7
99.00777	0.5
101.02460	0.9
107.01386	4.9
113.02429	1.1
117.03432	0.6
119.03555	0.8
125.02407	0.8
134.11993	0.6
135.00868	1.2
151.00372	12.8
161.26427	0.6
163.00343	1.7
164.01143	1.4
164.04651	0.6
165.01938	1.0
169.01411	2.2
185.06093	0.9
187.03996	1.4
189.05569	0.7
192.00697	0.6
195.04553	0.9
195.06413	0.7
199.04097	0.7
211.04057	2.0
213.05550	2.6
225.07631	1.1
227.03484	9.6
229.05028	6.4
240.04199	0.7
241.05034	1.8
243.17102	2.5
255.02997	28.0
256.03409	3.9
257.04572	8.7
258.04901	1.0
269.04483	0.8
283.02487	15.5
284.03247	34.1
285.04041	100.0
286.04431	8.9
306.07669	0.7
317.53287	0.6
327.05206	2.3
447.09326	26.1
448.09653	2.4
585.21875	2.6
587.09320	0.7
609.14600	74.0
610.15015	14.6
771.19360	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	806.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
61.98833	100.0
70.85250	0.8
70.85613	0.9
71.01397	1.6
72.76425	0.4
78.95918	0.4
89.02467	0.9
96.96045	0.9
99.92670	0.4
101.02480	0.8
109.10371	0.5
113.02461	0.8
116.92867	1.7
134.06116	0.6
245.91356	0.4
299.90805	0.4
382.12823	0.7
399.17599	0.5
653.70892	0.5
696.08929	0.5
743.28564	1.8
774.31573	0.8
806.34076	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	807.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91504	0.7
59.01389	0.9
61.98830	1.1
63.02388	0.8
65.00336	0.7
69.76841	4.0
96.96019	0.8
107.01381	1.2
107.76640	0.7
126.90426	2.9
127.00402	0.8
135.00803	0.9
151.00400	4.1
160.01642	1.1
161.95413	0.7
163.00314	0.8
169.70345	0.8
175.04037	0.8
178.99849	1.0
183.04503	1.6
206.78625	0.7
209.83568	0.8
211.03847	1.6
227.03473	11.3
228.03850	1.3
229.05125	1.3
236.40979	0.7
255.02975	45.3
256.03485	5.0
283.02478	61.6
284.03210	55.3
285.04001	29.0
286.04294	2.0
293.12643	1.7
326.04330	0.7
363.28851	0.7
429.08725	1.6
438.65814	0.8
446.08569	6.1
447.09055	3.8
448.09534	0.8
609.14606	100.0
610.14996	19.8
644.92090	0.8
703.74738	0.8
771.19879	5.0
772.19934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01374	1.9
61.98826	1.6
71.01367	0.7
83.05028	0.4
95.05038	0.8
109.06620	0.5
111.08161	8.5
113.09720	0.6
113.51019	0.4
126.90366	0.5
137.09760	0.5
149.09729	0.4
162.09917	0.4
167.10785	1.6
173.35039	0.3
177.12868	1.7
179.10751	1.3
184.98856	0.4
195.13899	6.7
203.14452	0.5
247.20601	1.6
253.09293	1.0
254.73360	0.3
257.63547	0.4
273.18521	1.5
277.21732	6.9
278.22055	0.5
289.40195	0.4
289.63440	0.4
291.19659	100.0
292.19992	11.0
327.88232	0.3
517.66571	0.4
668.79327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01387	2.5
61.98823	1.5
63.51825	0.5
71.01385	2.6
73.02932	0.4
75.89098	0.5
82.30473	0.5
82.41725	0.4
85.02941	0.7
86.65014	0.4
87.00832	0.7
89.02436	2.1
95.05010	0.6
101.02419	2.3
111.08141	0.5
113.02460	1.3
118.51280	0.5
119.03499	0.6
161.04546	1.2
179.05592	0.5
179.14442	1.1
195.13918	7.4
196.14439	0.9
205.12370	1.0
211.13422	0.7
223.13347	5.2
235.08199	1.0
239.13150	0.5
239.24039	0.6
253.09294	15.3
256.13184	1.3
265.21854	0.6
275.20163	5.9
277.21832	1.2
290.92310	0.6
293.21234	100.0
294.21561	10.5
294.24631	0.9
309.20731	0.7
326.59781	0.5
529.30316	1.0
549.65491	0.5
569.42200	1.1
602.12939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.5
59.01379	28.5
61.98820	4.3
62.26183	1.0
67.49880	1.1
69.34441	8.1
71.01387	14.6
72.99333	1.7
73.02934	1.2
73.52629	1.2
82.31674	1.0
83.01389	1.8
85.02952	2.8
87.00872	2.3
89.02442	12.8
91.66204	1.2
95.01391	2.3
101.02440	9.0
106.06605	4.4
107.03751	1.2
113.02431	3.9
119.03486	4.2
120.08180	12.8
122.06124	16.4
132.04544	2.4
134.06126	26.2
136.07727	1.2
137.68309	1.2
152.07182	5.5
158.02455	1.6
190.05077	3.9
223.08760	4.7
225.10303	1.6
235.12575	1.5
237.10292	4.1
238.10907	1.5
239.11862	5.6
240.66330	1.0
249.06699	2.8
249.10231	1.6
251.08269	3.3
251.11876	4.9
263.08218	4.3
263.11865	2.2
264.09033	7.6
265.09717	7.5
267.11523	1.2
271.10870	1.9
276.08826	1.4
277.09811	5.1
278.10489	3.1
279.11374	18.6
280.11899	3.0
281.12979	2.4
290.10461	1.4
291.11301	3.8
292.12134	3.1
293.12933	1.9
294.13885	1.6
305.09137	2.2
306.09943	1.1
307.10693	2.0
314.12384	2.3
323.10165	1.9
324.10980	3.3
325.11716	1.9
337.11893	2.1
370.15579	1.7
374.24683	1.3
384.17230	2.4
399.19589	1.4
401.21100	1.3
426.17807	1.8
444.19269	3.6
445.20001	1.9
462.20160	3.5
471.17773	1.6
472.18701	2.0
473.19778	1.8
490.19745	5.9
491.20343	1.2
518.19452	1.3
520.39996	1.3
533.45221	1.1
650.23346	3.9
651.24078	12.9
652.24438	4.2
682.26190	5.5
683.27142	1.4
773.30365	100.0
774.30664	33.8
804.99969	1.4
805.33002	39.8
806.33405	14.7
829.14551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	2.8
59.01381	51.1
61.98826	19.2
71.01383	39.7
71.61114	2.1
72.99295	4.7
73.02931	5.4
83.01393	3.9
85.02953	9.4
86.03261	2.9
87.00857	5.1
89.02448	23.3
95.01382	4.2
95.66291	2.0
96.96005	2.7
97.02895	3.1
101.02438	23.5
106.06612	7.3
107.03761	3.6
113.02437	12.9
119.03493	9.6
120.08203	8.5
122.06136	21.2
132.04552	2.8
134.03819	3.2
134.06128	40.7
137.02454	2.6
143.03522	3.3
152.07143	8.7
160.01657	2.6
161.04547	6.3
166.94131	2.1
179.05583	3.1
223.08659	6.0
224.09550	2.8
226.96606	2.3
236.70262	2.7
237.10341	10.6
238.11064	5.4
239.11931	14.3
249.10359	2.9
251.08102	3.2
251.11925	8.4
255.64363	2.3
263.08304	3.0
263.11502	2.5
264.08914	6.4
265.09686	12.6
265.13718	3.6
271.10919	5.1
277.09796	5.3
279.11377	26.8
280.11929	6.5
281.12970	4.1
284.27927	2.2
291.11392	6.2
307.10748	3.0
314.12485	2.3
323.10419	4.1
323.13950	2.6
360.17062	3.1
370.15332	4.6
384.17056	6.7
385.17648	3.8
386.18832	3.7
402.17877	2.3
426.18259	2.7
430.17526	2.7
490.19870	3.4
520.21027	2.5
550.21307	2.7
564.23468	5.1
606.24463	7.1
610.24213	7.6
650.23401	6.7
651.23920	5.3
651.56848	2.5
682.26337	4.0
687.30389	3.3
729.31000	7.6
773.30408	39.5
774.30579	11.8
805.32959	100.0
806.33514	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.33
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.1
58.00584	3.2
59.01382	51.7
61.53216	0.8
61.98814	3.5
63.18795	0.9
71.01385	35.6
72.99312	2.0
73.02943	3.9
83.01402	4.6
85.02936	6.7
87.00859	2.7
89.02445	27.1
94.06609	2.0
95.01356	2.0
97.02938	1.0
98.19841	1.8
99.00884	1.0
101.02440	20.8
104.05045	0.9
106.06642	7.6
107.03751	2.4
113.02443	11.8
119.03507	7.9
120.04581	1.0
120.07510	0.9
120.08212	12.0
122.06120	27.3
125.02364	1.8
128.03442	1.0
132.04565	1.6
134.06126	48.6
135.06445	1.1
136.07645	2.2
143.03520	1.1
148.04044	1.3
150.05521	1.5
151.00401	1.0
152.07161	8.8
160.04060	2.3
161.04608	3.3
173.00940	1.2
179.05609	3.1
190.05042	3.0
211.08690	1.3
223.08737	7.3
223.12396	1.1
224.09415	3.3
225.10312	3.5
227.11932	1.2
235.08769	1.5
235.12384	1.2
236.09428	1.9
237.10312	10.4
238.10951	4.2
239.11887	13.5
240.12300	1.0
241.13393	3.0
243.14870	1.2
249.06586	2.3
249.10313	3.6
250.11038	1.1
251.08330	4.6
251.11911	8.4
252.08482	1.2
253.13403	1.5
263.08163	3.7
263.11948	2.5
264.09045	10.7
265.09784	13.0
265.12906	1.3
266.10345	1.2
267.11435	2.2
271.10757	3.9
276.09042	1.2
277.09851	7.3
278.10464	3.1
279.11380	27.2
280.12048	6.2
281.12918	3.4
283.10925	1.9
285.12442	2.1
286.01422	1.0
291.08353	1.0
291.11383	5.4
292.08655	1.6
292.12003	4.3
293.12897	2.6
295.10806	1.7
300.02829	1.3
305.09140	3.1
307.10788	2.8
314.12497	4.3
323.10181	2.6
324.11041	2.8
327.10278	1.1
337.12006	2.2
342.15994	1.0
355.12912	1.1
356.13898	1.1
358.19321	2.6
360.17209	2.2
370.15540	3.5
371.16089	1.5
372.17300	1.2
382.19247	1.4
384.17139	6.0
385.17871	2.2
386.18695	4.2
387.19363	1.3
398.14554	1.6
402.18079	3.6
426.18152	2.0
427.18893	1.5
430.17572	2.7
431.17987	1.1
444.19196	1.4
446.17163	1.5
462.20096	2.3
464.18579	1.1
472.18637	1.4
487.17419	1.3
490.19754	3.4
519.18719	1.1
531.95850	1.1
551.22467	1.6
564.23358	6.4
565.24243	1.3
593.23846	1.1
599.76099	1.2
606.24469	9.0
607.25092	2.1
608.22485	1.5
609.23584	1.3
610.23993	7.0
611.23889	1.2
625.14008	1.5
638.24237	1.2
650.23590	13.2
651.24097	13.8
652.24603	2.4
661.32080	1.2
682.26184	7.2
683.27063	5.2
687.30463	3.4
729.31750	6.0
730.31354	1.3
745.30579	1.1
773.30359	62.8
774.30579	15.3
782.33850	2.5
805.32990	100.0
806.33282	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.33
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.1
58.00584	3.2
59.01382	51.7
61.53216	0.8
61.98814	3.5
63.18795	0.9
71.01385	35.6
72.99312	2.0
73.02943	3.9
83.01402	4.6
85.02936	6.7
87.00859	2.7
89.02445	27.1
94.06609	2.0
95.01356	2.0
97.02938	1.0
98.19841	1.8
99.00884	1.0
101.02440	20.8
104.05045	0.9
106.06642	7.6
107.03751	2.4
113.02443	11.8
119.03507	7.9
120.04581	1.0
120.07510	0.9
120.08212	12.0
122.06120	27.3
125.02364	1.8
128.03442	1.0
132.04565	1.6
134.06126	48.6
135.06445	1.1
136.07645	2.2
143.03520	1.1
148.04044	1.3
150.05521	1.5
151.00401	1.0
152.07161	8.8
160.04060	2.3
161.04608	3.3
173.00940	1.2
179.05609	3.1
190.05042	3.0
211.08690	1.3
223.08737	7.3
223.12396	1.1
224.09415	3.3
225.10312	3.5
227.11932	1.2
235.08769	1.5
235.12384	1.2
236.09428	1.9
237.10312	10.4
238.10951	4.2
239.11887	13.5
240.12300	1.0
241.13393	3.0
243.14870	1.2
249.06586	2.3
249.10313	3.6
250.11038	1.1
251.08330	4.6
251.11911	8.4
252.08482	1.2
253.13403	1.5
263.08163	3.7
263.11948	2.5
264.09045	10.7
265.09784	13.0
265.12906	1.3
266.10345	1.2
267.11435	2.2
271.10757	3.9
276.09042	1.2
277.09851	7.3
278.10464	3.1
279.11380	27.2
280.12048	6.2
281.12918	3.4
283.10925	1.9
285.12442	2.1
286.01422	1.0
291.08353	1.0
291.11383	5.4
292.08655	1.6
292.12003	4.3
293.12897	2.6
295.10806	1.7
300.02829	1.3
305.09140	3.1
307.10788	2.8
314.12497	4.3
323.10181	2.6
324.11041	2.8
327.10278	1.1
337.12006	2.2
342.15994	1.0
355.12912	1.1
356.13898	1.1
358.19321	2.6
360.17209	2.2
370.15540	3.5
371.16089	1.5
372.17300	1.2
382.19247	1.4
384.17139	6.0
385.17871	2.2
386.18695	4.2
387.19363	1.3
398.14554	1.6
402.18079	3.6
426.18152	2.0
427.18893	1.5
430.17572	2.7
431.17987	1.1
444.19196	1.4
446.17163	1.5
462.20096	2.3
464.18579	1.1
472.18637	1.4
487.17419	1.3
490.19754	3.4
519.18719	1.1
531.95850	1.1
551.22467	1.6
564.23358	6.4
565.24243	1.3
593.23846	1.1
599.76099	1.2
606.24469	9.0
607.25092	2.1
608.22485	1.5
609.23584	1.3
610.23993	7.0
611.23889	1.2
625.14008	1.5
638.24237	1.2
650.23590	13.2
651.24097	13.8
652.24603	2.4
661.32080	1.2
682.26184	7.2
683.27063	5.2
687.30463	3.4
729.31750	6.0
730.31354	1.3
745.30579	1.1
773.30359	62.8
774.30579	15.3
782.33850	2.5
805.32990	100.0
806.33282	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48553	0.1
58.02088	0.1
59.01380	1.4
60.01710	0.1
61.01807	0.1
61.98833	100.0
62.98534	0.1
62.99269	0.1
71.01392	0.7
73.02956	0.1
79.15661	0.1
85.02967	0.2
87.00935	0.1
88.56570	0.1
89.02470	0.2
95.48023	0.1
95.67869	0.1
98.19866	0.2
101.02474	0.3
102.02806	0.1
113.02487	0.3
114.02787	0.1
119.03555	0.1
143.03539	0.1
161.04646	0.2
179.05621	0.1
229.23485	0.1
254.77664	0.1
273.87473	0.1
388.13907	0.1
433.33459	0.1
434.33707	0.1
582.39520	0.1
742.78021	0.1
743.44971	0.1
744.44763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.9
61.98831	100.0
65.85936	0.4
71.01388	7.0
71.60683	0.5
71.61185	0.5
73.02959	0.9
73.85525	0.4
83.01340	0.5
85.02960	1.8
87.00880	1.3
89.02451	4.4
96.96033	0.8
99.00850	0.7
101.02448	4.0
106.06628	0.9
113.02419	2.5
116.92861	1.9
119.03490	1.6
120.08202	2.2
122.06122	4.4
125.02460	0.7
134.06131	6.3
136.07617	0.5
136.65727	0.4
150.05620	0.5
152.07184	1.1
161.04636	0.8
172.85770	0.4
179.05652	0.6
223.08788	0.5
225.10420	0.4
226.93048	0.4
236.05736	0.4
237.10402	1.0
238.11075	0.6
238.27277	0.5
239.11909	1.3
240.29173	0.4
249.10347	0.5
251.08150	1.2
251.11871	0.9
263.08072	0.6
264.08994	1.8
265.09793	1.4
277.09772	1.1
279.11349	4.1
280.11993	0.8
291.08011	0.4
291.11456	0.7
323.10245	0.7
342.11749	0.5
384.17194	0.6
386.18839	1.3
412.16382	0.5
470.18408	0.5
542.82245	0.6
607.25873	0.6
640.50055	0.5
650.23383	1.4
651.24481	1.4
682.25677	0.9
683.26898	1.3
743.28125	2.3
773.30365	5.7
774.30585	1.3
774.84058	0.7
805.33020	18.6
806.33429	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	802.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.0
60.01715	0.2
61.01821	0.1
61.98831	100.0
62.98522	0.2
69.67734	0.6
71.01398	0.8
73.02941	0.2
85.02972	0.3
89.02447	0.4
89.72964	0.1
93.83407	0.1
96.96022	0.1
97.02951	0.1
99.00879	0.1
99.92552	0.2
101.02475	0.5
113.02457	0.4
116.92876	0.7
125.02437	0.2
161.04575	0.3
179.05620	0.2
193.05139	0.1
220.28171	0.1
271.02466	0.1
300.02692	0.1
389.45160	0.1
433.31851	0.1
527.00537	0.1
661.08960	0.1
742.44098	0.3
803.32520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
59.48787	0.1
61.98833	100.0
62.98532	0.2
68.92670	0.1
69.62162	0.2
69.62564	0.5
75.73895	0.1
80.96532	0.1
105.08907	0.1
132.33710	0.1
171.11903	0.1
211.13499	0.4
212.13815	0.2
212.70863	0.1
246.63844	0.1
253.83765	0.1
273.50809	0.1
277.21735	0.3
278.22165	0.3
287.14093	0.1
304.59473	0.1
342.71536	0.1
370.29498	0.1
612.17249	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11263	0.4
59.01392	0.5
61.98833	5.2
63.96242	85.0
64.76199	0.4
67.21187	0.4
78.95918	0.7
78.98595	100.0
80.96515	0.6
106.17110	0.4
111.78664	0.4
152.99532	0.6
209.11830	10.8
210.12065	0.6
221.83212	0.4
227.12881	1.9
235.08087	1.5
253.09239	1.1
277.21701	11.9
278.21841	1.1
334.69824	0.5
336.61130	0.4
385.91782	0.4
534.77423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58331	0.6
59.01361	1.3
61.98826	2.0
65.00332	0.8
71.37708	1.4
82.53716	0.6
83.01391	1.4
98.20492	0.7
101.02447	1.0
107.01387	2.5
113.02451	0.9
117.63344	0.6
121.02900	0.7
130.08752	1.1
147.96851	0.6
148.01642	1.0
151.00323	6.8
163.00354	1.1
163.02672	0.6
164.01227	0.7
199.03970	1.0
214.02626	0.8
216.04225	0.8
227.03482	2.4
228.04164	1.0
242.02159	6.8
243.02907	7.1
244.03488	1.4
245.00827	1.7
255.03113	3.0
257.04532	1.8
270.01712	10.7
271.02414	12.3
272.03119	2.0
285.03976	6.0
286.04611	0.8
298.01230	2.6
299.02054	7.4
299.05280	1.3
300.02734	42.0
301.03186	4.9
311.05634	0.8
313.03534	27.7
313.07178	1.5
314.04230	14.2
315.05090	100.0
316.05423	9.5
327.04959	1.3
357.05896	4.0
376.02612	0.7
461.07333	1.2
476.09552	3.1
477.03586	1.3
477.10385	19.3
478.10950	2.8
478.17053	0.7
612.63208	0.7
625.14081	1.9
639.15637	52.6
640.15912	9.9
680.33234	0.9
681.16370	1.4
801.20398	6.9
802.20752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.4
58.00596	1.3
59.01380	100.0
60.01714	1.0
61.94864	0.4
61.98830	0.6
69.03452	1.7
69.50221	3.0
69.72314	0.4
71.01383	37.9
72.01715	0.6
72.99323	1.6
73.02946	10.5
73.03337	0.7
78.35312	0.5
83.01382	5.1
84.02172	0.5
85.02954	16.3
86.03288	0.4
87.00878	1.9
89.02442	17.2
95.01367	3.3
96.65094	0.4
97.02950	0.9
99.00889	3.8
99.08176	2.5
101.02444	27.2
102.02855	0.4
111.00899	0.6
113.02454	16.9
114.02756	0.5
119.03499	8.5
125.02448	0.9
131.03568	1.1
143.03488	2.4
145.05003	0.4
149.04558	0.9
159.02998	3.1
160.66245	0.4
161.04562	15.5
178.42145	0.4
179.05611	5.9
271.20709	0.4
287.20270	1.0
294.69852	0.4
313.21899	0.6
322.03357	0.4
333.24417	0.9
341.11188	0.4
353.28482	0.5
371.29630	1.2
389.30563	2.0
397.31403	1.2
415.32169	2.4
431.31668	2.6
433.33191	20.2
434.33588	3.9
561.38416	0.5
579.39014	19.5
580.39331	4.1
595.38281	4.6
596.39496	1.2
597.40179	0.7
623.38025	2.7
741.44318	42.5
742.44672	13.1
785.43854	0.8
814.25171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.7
61.98817	1.6
63.02390	1.6
65.00338	4.4
70.81692	1.2
70.82024	1.8
72.43239	0.9
79.31365	0.7
83.01367	3.4
85.02947	1.4
99.00904	1.1
101.02408	2.2
107.01385	8.3
109.02956	2.0
113.02432	2.1
116.92858	1.1
117.03470	1.1
121.02930	2.2
133.02934	2.2
135.04512	1.0
137.02393	1.1
138.28995	0.8
145.02945	1.7
148.01720	0.9
151.00374	29.9
152.00708	1.5
160.01616	3.1
161.02460	3.8
163.00368	1.2
171.04506	2.0
175.00311	2.6
175.03979	3.0
178.99869	5.1
179.03516	1.2
179.22543	1.0
187.04031	1.3
193.05043	0.8
199.03955	6.5
201.01917	1.2
203.03499	1.6
211.03979	1.0
215.03522	2.2
226.02676	2.9
227.03497	5.1
228.04028	1.3
237.62245	0.8
243.03021	8.7
255.02965	5.0
271.02463	72.6
272.02853	8.2
283.02420	1.8
284.02951	0.8
285.04138	1.6
299.01968	100.0
300.02646	39.0
301.03522	69.3
301.06494	0.8
301.07169	1.0
302.03848	6.8
313.03378	1.1
314.04388	1.7
315.05087	13.3
316.05319	1.1
323.07562	4.2
343.04462	1.6
401.09131	1.0
463.08859	10.8
464.08871	1.4
477.10287	1.1
489.10410	1.6
517.09833	1.5
621.12445	1.3
624.14069	1.4
625.14661	4.2
638.12640	6.9
639.13531	76.8
640.03699	1.6
640.13843	13.5
801.18781	33.0
802.19147	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	801.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
61.98832	1.3
63.02388	1.8
64.85540	0.5
65.00322	1.3
70.62366	1.3
73.02962	1.0
77.09073	0.5
77.59510	0.5
77.94240	0.5
79.95747	0.6
83.01395	2.7
85.02953	1.0
87.00858	1.8
88.98810	1.3
89.02434	1.5
101.02452	2.0
103.78530	0.5
107.01401	4.2
113.02424	1.2
123.04501	0.6
134.03711	1.0
148.01701	0.6
151.00369	12.5
152.01025	0.8
163.00377	1.4
169.01433	1.7
175.03932	1.0
183.04547	0.6
193.05048	0.8
199.03986	2.2
203.03490	0.6
209.27087	0.6
214.02678	0.9
215.03506	0.7
227.03497	4.2
242.02245	5.4
243.02965	13.3
244.03503	1.8
245.00916	0.9
254.02188	0.6
255.02991	10.5
256.03503	1.2
257.04529	1.1
259.06143	0.9
270.01740	5.7
271.02469	25.5
272.03152	4.7
283.02484	0.8
284.03223	1.4
285.04126	5.1
286.04657	1.3
287.05634	2.0
298.01227	1.0
299.01974	25.7
300.02719	34.7
301.03241	3.8
311.11298	0.8
313.03540	15.9
314.04309	25.1
315.05087	100.0
316.05432	9.5
354.17737	0.6
357.06210	1.9
374.59576	0.6
386.67264	0.5
408.73672	0.6
477.10394	14.2
478.10577	2.3
506.71625	0.6
551.17743	0.9
612.72327	0.8
625.13995	1.8
639.15662	75.5
640.15997	14.1
732.85400	0.7
801.20044	1.3
802.18201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1733
Annotation	Quercetin 3-sophoroside-7-glucuronide
Peak:m/z	Relative Intensity
59.01369	2.2
65.00322	4.0
71.45221	1.2
83.01360	2.3
84.28936	1.2
85.02947	4.7
85.54844	1.1
87.00917	1.5
92.95058	1.2
94.97963	1.2
97.01036	1.1
99.00878	2.1
107.01386	5.5
113.02427	2.3
113.92879	1.2
121.02968	4.6
134.71617	1.3
145.02927	1.3
151.00371	35.3
152.00879	1.2
163.00317	3.5
169.01410	1.7
178.99857	18.8
180.19543	1.2
226.02608	1.6
227.03387	2.7
243.03011	11.5
254.02139	3.3
255.02980	18.0
263.47412	1.4
271.02478	50.7
272.02954	6.6
273.04001	1.5
285.04010	1.7
299.01935	15.0
300.02747	100.0
301.03500	95.4
302.03937	6.2
310.10596	1.2
326.74448	1.3
355.43735	1.3
398.35703	1.4
462.07886	3.0
463.08810	67.0
464.08966	10.7
505.09921	1.5
625.14136	33.7
626.14966	7.6
639.12024	24.0
640.12415	4.3
681.13239	3.0
801.17279	39.9
802.17108	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	801.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52816	0.8
57.50513	0.9
58.81870	0.9
59.01370	3.4
61.13091	0.9
61.36386	0.9
65.00331	1.7
71.01371	3.4
71.53352	1.4
71.53684	1.3
75.20833	1.0
79.95748	1.6
83.01390	1.3
85.02946	3.0
87.00873	1.5
89.02420	3.0
89.79958	1.0
99.00944	1.3
104.90218	0.9
107.01408	3.6
108.02174	1.3
109.02961	1.1
113.02477	1.3
115.00307	1.4
120.99649	4.2
121.02975	1.7
132.99683	1.0
133.01395	2.1
145.02936	6.3
148.01631	1.1
151.00395	16.8
161.02400	2.1
163.00447	1.4
163.03955	1.4
169.01485	1.3
169.19881	1.3
178.99861	9.2
179.05608	1.2
181.01704	1.1
199.04095	1.3
216.98018	1.1
226.02699	2.6
227.03517	2.7
229.05034	1.2
234.81140	1.1
234.83376	1.0
243.02969	13.0
254.02277	4.4
255.02972	18.5
256.03311	1.6
271.02478	63.0
272.02823	6.3
273.04031	1.3
283.02551	2.0
299.01935	4.8
300.02756	100.0
301.03458	43.1
302.03860	3.1
314.04330	1.2
343.04416	1.5
363.75952	1.1
463.08694	3.7
464.09491	1.2
477.06473	1.8
583.84973	1.1
625.14087	50.3
626.14453	13.6
639.11633	1.7
649.19885	1.3
667.14410	1.5
801.17316	25.8
802.17950	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	801.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11185	1.2
59.01379	3.7
61.02909	1.2
65.00334	3.1
67.01898	1.3
67.73486	1.2
68.99801	1.7
71.01376	7.9
71.09480	1.5
71.09795	1.7
77.38551	1.5
78.93169	1.5
79.01875	1.9
83.01399	3.7
85.02941	7.3
87.00890	2.3
95.01401	3.2
99.00891	3.3
107.01411	4.5
110.00111	5.3
111.00883	4.2
113.02448	9.1
116.12025	1.3
118.32364	1.3
125.02484	2.4
135.00826	1.7
137.02417	1.7
137.99545	2.0
139.00389	5.1
143.04965	1.8
151.00377	16.4
152.01094	2.2
157.83235	1.4
163.00383	4.4
165.99103	6.4
166.99800	3.2
175.02509	3.2
175.04041	1.7
178.99887	6.3
183.04480	3.0
187.04030	2.5
193.01357	2.1
199.03963	1.9
201.05466	2.8
206.99469	1.4
209.00938	1.9
211.03995	3.4
226.02573	2.3
227.03476	21.8
228.03923	3.3
229.05009	5.3
239.03557	1.6
243.02986	17.6
244.03439	2.7
245.04504	1.5
254.02185	2.5
255.02972	60.5
256.03363	6.8
257.04556	6.9
265.55106	1.7
271.02472	56.4
272.02969	10.2
273.03848	2.3
283.02463	33.2
284.03204	19.4
285.04007	44.2
286.04333	6.6
299.01956	7.6
300.02737	68.5
301.03488	73.0
302.03891	5.9
307.82327	1.5
314.04437	2.6
315.05099	6.7
343.04575	2.7
416.50885	1.6
447.09189	9.1
461.07214	2.9
466.73679	1.6
509.32462	1.5
609.15015	7.2
609.38708	1.5
610.14563	3.7
625.14056	100.0
626.14362	18.2
639.15356	4.0
785.17560	2.6
801.17096	15.2
802.17499	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	801.1733
Annotation	Quercetin 3-sophoroside-7-glucuronide
Peak:m/z	Relative Intensity
55.74407	0.7
59.01377	1.2
63.02410	1.1
65.00341	1.4
69.16751	0.8
71.01371	1.9
71.31227	1.3
83.01394	1.0
85.02953	1.3
91.95558	1.0
107.01337	3.9
108.02203	1.3
113.02467	1.4
118.82071	0.7
121.03008	0.9
148.01697	1.6
151.00380	10.4
163.00293	1.0
169.01518	1.0
178.99843	6.8
211.03951	0.9
226.02672	2.1
227.03535	2.1
243.03027	8.3
244.03331	1.5
254.02162	2.3
255.02954	16.1
271.02466	46.6
272.03036	5.6
299.01999	4.0
300.02753	100.0
301.03317	22.0
314.04889	1.0
342.85199	0.9
343.04443	1.0
625.14142	50.9
626.14539	10.7
639.92542	0.9
801.17352	16.5
802.18201	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	799.449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.8
58.00603	0.4
59.01380	100.0
60.01722	0.9
61.98830	0.9
69.03446	0.5
71.01385	16.0
72.99341	0.9
73.02947	5.9
83.01402	2.3
85.02953	7.0
85.03442	0.6
87.00895	1.5
89.02452	5.8
95.01406	1.2
99.00871	2.4
101.02445	12.6
113.02449	7.9
114.51831	0.3
116.92959	0.3
119.03526	2.6
125.02432	0.4
129.01945	0.4
143.03543	1.6
145.05145	0.5
149.04584	0.4
159.02969	1.7
161.04567	11.1
161.05847	0.7
179.05663	1.8
272.84943	0.3
335.33917	0.3
387.29184	1.0
413.30685	1.1
431.31647	11.7
432.32031	2.2
533.68439	0.4
577.37378	7.9
578.37866	2.2
593.36908	5.6
594.37268	1.2
621.36871	0.9
739.42743	12.8
740.43213	3.5
799.45129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.9
59.44913	0.3
61.98820	0.9
69.03450	0.4
71.01385	2.4
71.50909	0.5
73.02924	0.4
82.36580	0.3
83.05029	0.4
85.02947	0.5
89.02443	1.6
101.02462	1.7
113.02446	0.9
119.03622	0.4
127.07543	0.4
131.71867	0.3
161.04582	1.0
167.10699	0.4
167.14445	0.5
179.05632	0.6
183.13916	6.7
184.14330	0.4
193.12305	1.3
211.13388	100.0
212.13715	6.1
229.65977	0.3
235.08235	2.4
253.09259	6.9
277.21710	61.6
278.22098	6.6
429.21222	1.6
447.22311	8.0
447.28546	0.4
448.22812	1.0
513.30695	1.0
514.30573	0.3
579.47284	0.3
659.84961	0.3
707.43561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
71.01392	0.8
71.14555	0.1
71.59892	0.1
73.02946	2.0
75.94315	0.1
82.85155	0.1
85.02969	0.2
87.00892	0.2
89.02432	0.6
89.74572	0.1
97.64490	0.1
99.00864	0.3
99.92589	11.9
100.92612	0.6
101.02454	0.4
109.77047	0.1
113.02468	0.4
114.93412	0.4
116.92865	100.0
117.01939	2.4
117.92876	7.0
119.03516	0.3
131.03543	0.2
132.02097	0.6
134.03729	0.3
149.93903	0.1
160.01660	2.1
160.59050	0.1
161.02017	0.4
161.04607	0.2
175.04005	2.5
176.04396	0.5
177.04549	0.1
179.05591	0.8
190.02771	0.3
193.05060	0.7
194.05429	0.2
205.05106	0.3
235.06039	0.2
259.67914	0.1
265.07227	0.2
284.12509	0.1
293.12524	0.2
307.68881	0.1
337.09103	0.1
355.10519	0.3
374.19037	0.1
397.11383	1.1
399.11975	0.3
606.22510	0.1
646.78467	0.1
781.21112	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	797.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73113	0.5
57.03443	0.6
58.81835	0.5
59.01385	4.2
61.47086	0.5
61.98822	3.0
63.02391	1.8
65.00324	2.2
69.90968	2.3
70.02424	0.5
72.99290	0.6
83.01407	2.0
85.02984	1.0
87.00896	0.7
89.02469	1.6
91.21531	0.5
93.03437	2.4
95.00419	0.6
95.01392	0.7
96.70391	0.5
96.96016	0.6
101.02448	2.2
107.01386	3.9
109.02907	0.8
113.02435	1.1
117.03471	19.7
118.03795	0.8
119.03559	0.5
119.05032	7.5
121.02915	1.1
123.00905	1.3
123.04609	0.5
125.02438	1.1
132.02194	2.5
134.03708	0.6
135.00887	2.1
137.02470	1.0
143.05000	1.3
145.02954	45.1
146.03310	2.6
149.02475	0.7
151.00368	6.7
153.01904	1.2
155.04955	0.8
156.05797	1.0
157.06587	0.7
159.04504	1.9
161.04507	0.5
163.00375	4.5
163.04015	4.5
164.01152	1.4
167.05008	1.3
169.01424	1.0
169.06538	1.6
171.04500	1.2
183.04477	1.6
185.02548	0.8
185.06076	3.0
187.04022	4.1
189.05658	1.3
193.05049	0.8
195.04491	1.0
197.06097	1.4
199.04022	1.5
200.04706	0.6
210.30498	0.5
211.03993	4.5
212.04634	0.9
213.02052	0.7
213.05534	1.9
227.03487	52.7
228.03856	4.0
229.05025	11.9
230.05362	0.8
234.75409	0.6
239.03418	3.0
240.04243	1.2
241.05058	2.4
255.02977	91.9
256.03549	14.5
257.04538	7.7
258.04947	0.7
267.02890	0.9
283.02472	5.6
284.03256	100.0
285.04007	91.4
286.04355	8.0
300.02542	0.6
393.05692	0.6
469.13724	0.8
511.14658	2.3
591.13184	0.9
633.14178	1.4
651.15594	8.6
652.16168	2.2
737.17517	1.3
776.04651	0.6
797.19318	78.4
798.19653	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	797.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.9
61.98825	3.1
63.02397	1.4
65.00310	2.1
69.91213	2.0
72.27179	0.5
73.02943	0.8
75.00912	0.5
83.01379	1.0
85.02953	0.9
87.00878	1.2
88.54597	0.4
89.02441	1.3
89.03978	0.6
93.03467	2.3
95.01364	0.5
98.20007	0.5
101.02442	1.4
102.21036	0.5
107.01379	5.6
109.02966	1.1
113.02420	1.0
117.03465	21.3
118.03809	0.9
119.01298	0.5
119.05030	7.2
121.02952	0.7
123.00891	1.0
125.02424	0.9
132.02179	1.5
133.02992	0.5
135.00874	1.7
137.18623	0.4
143.03609	0.4
143.04988	1.8
145.02954	42.8
146.03288	1.8
151.00363	6.9
153.01903	0.7
157.02946	0.5
157.06578	1.1
159.04556	1.7
161.06021	0.6
163.00383	3.4
163.04002	4.9
164.01115	1.1
165.01782	0.5
167.05006	0.8
169.01433	1.2
169.06609	0.9
171.04503	1.5
183.04500	1.9
184.05046	0.5
185.02425	1.0
185.06032	2.5
187.03972	4.5
189.05492	1.1
195.04514	0.8
197.06056	0.9
199.03955	1.2
200.04785	0.7
201.05522	0.7
211.04022	4.8
212.04788	1.3
213.05508	1.7
215.03519	0.9
223.16713	0.5
227.03488	51.3
228.03886	4.5
229.05016	10.8
230.05176	0.5
239.03520	2.5
240.04156	1.3
241.05043	1.4
255.02975	93.1
256.03534	15.4
257.04541	7.3
267.02847	1.0
268.03610	0.7
269.04425	0.8
283.02490	5.0
284.03250	100.0
285.03995	91.9
286.04398	7.0
511.14706	2.2
521.06342	0.5
555.19470	0.5
573.12817	0.6
591.13568	1.0
633.14709	1.4
651.15625	9.2
652.16223	1.8
737.17297	1.5
797.19318	83.3
798.19592	22.2
798.34540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	32.8
58.00581	1.0
59.01381	98.0
60.01709	1.3
61.78132	1.0
61.98830	5.3
62.52744	0.8
69.03457	6.5
69.50471	3.3
69.50893	3.1
71.01383	25.9
72.99293	3.0
73.02948	6.1
75.00859	1.3
81.03462	3.3
83.01391	50.6
83.05019	1.5
84.66980	0.8
85.02953	9.0
85.16165	0.9
87.00896	1.0
89.02447	18.2
95.01381	3.1
97.02956	7.8
98.20596	1.3
99.00865	1.9
99.04520	56.2
100.04832	1.0
101.02444	29.4
111.04504	2.8
113.02446	16.1
116.92889	0.9
119.03513	6.3
123.04519	1.9
125.02449	100.0
126.02782	3.1
127.00355	1.5
127.04060	0.9
131.03430	1.0
134.03671	0.8
137.09709	1.0
139.00354	1.3
143.03523	9.1
143.87219	0.8
149.04591	0.9
155.03513	19.6
161.04549	10.2
165.09210	1.2
167.03487	4.7
168.03992	1.0
173.04501	1.9
179.05611	9.3
181.91429	0.8
185.04536	2.5
193.05022	0.8
203.05626	4.8
205.12325	1.6
221.06654	1.2
223.13327	3.0
245.06508	1.6
263.07770	5.0
286.04636	0.9
445.20703	2.8
465.79736	0.9
487.21927	7.0
513.19281	1.3
527.24432	1.1
529.23083	9.0
530.23340	1.4
543.20868	1.0
545.25977	2.2
589.24982	12.4
590.25067	2.0
657.24225	1.4
795.29626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58607	0.1
59.01382	0.2
62.41769	0.1
65.44938	0.1
68.31907	0.1
71.01385	0.2
71.26129	0.1
73.02949	2.2
75.00871	0.1
77.07908	0.1
89.02431	0.1
98.20728	0.2
99.00893	0.5
99.92586	8.9
100.92617	0.5
101.02463	0.1
114.92669	0.1
114.93410	0.5
116.92863	100.0
117.01936	4.4
117.05626	0.1
117.92873	5.7
118.02302	0.1
173.26961	0.1
175.33540	0.1
187.97429	0.1
208.31787	0.1
230.32689	0.1
257.64352	0.1
317.89825	0.1
390.30240	0.1
475.47702	0.1
626.30750	0.1
783.84283	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	793.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.78986	0.2
61.98834	1.0
69.70280	0.9
73.02949	4.5
75.00851	0.4
85.09599	0.2
90.68195	0.2
98.20083	0.6
99.00891	0.8
99.92583	11.6
100.92556	0.8
103.02325	0.2
114.93446	0.4
116.92860	100.0
116.97240	4.2
117.01938	9.4
117.92868	5.9
117.93729	0.2
312.09268	0.2
397.88263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98832	0.7
71.01388	0.2
73.02948	7.5
74.02446	0.1
75.00860	0.4
81.22787	0.1
83.57231	0.1
83.82357	0.1
87.00877	0.2
97.93164	0.1
99.00874	1.1
99.92583	12.1
100.92593	0.7
114.93412	0.5
115.00382	0.1
116.92861	100.0
116.97231	1.9
117.01938	12.6
117.05602	0.3
117.92870	6.7
118.02271	0.3
159.83514	0.1
160.12068	0.1
276.65439	0.1
277.21762	0.1
335.17493	0.1
608.55670	0.1
675.80463	0.1
806.52435	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	793.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.03352	1.4
80.96532	0.3
86.88062	0.3
94.98082	0.6
107.57914	0.3
122.97597	1.2
149.79131	0.3
287.20645	0.3
341.14804	0.3
358.13754	0.4
391.84180	0.3
611.91724	0.3
662.94531	0.3
717.56696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	1.0
58.74194	0.8
59.01383	17.5
69.79696	3.9
71.01385	20.8
72.99318	2.8
73.02960	2.8
83.01389	1.2
85.02954	5.1
87.00875	2.1
87.17536	1.0
88.98854	1.1
89.02450	21.1
91.98678	0.8
94.84987	0.9
95.01421	1.0
97.93134	2.0
99.00885	0.7
101.02448	11.0
109.02921	1.3
113.02464	9.1
114.93411	17.4
115.00370	0.9
117.03443	1.0
119.03502	8.3
125.02475	1.6
125.53899	0.9
131.03510	2.8
132.02182	20.1
133.02650	1.0
134.03748	19.4
137.02469	0.9
143.03496	2.5
149.04546	0.9
149.06082	2.6
153.01947	4.4
160.01663	82.4
161.02011	4.7
161.04599	8.1
175.04012	100.0
176.04398	6.2
177.01799	1.1
178.02670	3.5
179.05623	25.8
191.07167	2.6
193.05067	30.5
194.05374	1.5
217.05066	3.9
221.06660	3.0
235.06122	12.5
247.06046	1.4
259.06216	1.1
265.07196	2.5
265.63678	0.8
297.06274	1.3
305.08786	1.8
323.09811	1.2
329.54364	0.8
337.09036	1.7
355.10376	10.8
397.11392	42.2
398.11771	4.7
439.12363	3.1
457.13666	2.7
459.11212	1.6
517.15729	9.7
518.15906	1.1
619.17035	1.4
661.19867	2.1
679.20862	10.2
680.20642	1.7
696.21405	0.9
765.72321	0.8
795.22034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.8
61.98814	2.7
62.10183	0.7
71.01382	1.9
71.60848	1.2
72.99274	0.6
73.75833	0.7
74.02439	0.7
75.00883	0.9
85.02967	1.1
87.00887	1.1
88.98862	0.7
89.02438	2.3
93.03474	0.9
101.02451	1.7
105.96919	0.6
121.02941	2.9
126.21626	0.6
133.69728	0.7
134.03851	0.8
135.04512	2.6
149.02441	26.4
149.04541	2.1
150.02805	1.0
151.03987	1.0
152.01135	5.9
163.04019	4.7
164.04799	22.6
165.01907	1.9
165.05159	0.9
169.05074	2.5
175.00374	3.7
175.57980	0.8
179.05698	1.4
179.07126	9.7
190.02716	8.8
193.01421	13.2
205.05037	12.4
206.05423	1.7
208.03757	32.6
209.04105	1.7
223.06104	100.0
224.06433	8.7
227.42505	0.7
232.47614	0.7
247.06151	1.0
284.03119	0.9
285.03964	1.5
300.02628	1.0
301.03094	0.9
385.11395	30.6
386.11670	2.9
418.74985	0.8
533.62720	0.7
609.15173	0.8
666.44458	0.8
789.42004	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.5
61.98837	19.7
64.62364	2.2
69.03426	3.0
70.76758	5.9
71.01383	35.7
79.95736	2.7
85.02960	12.8
87.00871	2.9
89.02444	6.7
91.22548	2.3
96.96006	12.3
98.20580	2.6
101.02426	13.0
106.06600	2.7
113.02454	12.4
122.06068	6.8
134.06119	39.4
141.27003	2.3
152.07205	6.6
161.04567	4.6
194.30687	2.5
211.08748	12.7
223.08778	2.7
225.10342	3.4
236.05887	3.3
237.06644	10.6
251.08156	8.4
252.09160	3.3
263.08261	4.0
264.09103	3.6
265.09775	9.0
265.12457	2.5
277.09921	3.3
279.11322	3.2
296.11426	3.0
358.15747	6.0
369.14914	2.7
384.13422	3.6
396.13208	4.3
398.15186	3.6
400.16599	3.2
412.16391	3.8
472.22217	3.1
511.78619	2.5
574.22333	2.5
633.22479	3.1
638.89783	2.7
665.25916	52.9
666.26263	10.7
755.29266	8.2
787.31866	100.0
788.32037	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.1
59.01381	18.4
61.98826	13.7
67.80001	0.9
69.36758	4.8
69.37186	4.0
71.01383	35.2
72.01703	1.0
72.99300	1.8
73.02935	4.1
75.00881	2.6
77.86101	0.8
79.95711	1.0
83.01382	3.8
85.02956	15.6
87.00866	4.1
89.02431	7.6
94.06631	1.3
95.01389	1.3
96.96052	1.1
97.02909	1.2
98.20648	1.6
99.00854	2.6
101.02441	9.5
106.06617	6.6
113.02441	8.3
115.03043	1.0
116.92847	2.5
119.03502	2.3
122.06123	8.2
122.83534	1.1
125.02423	2.4
134.06123	47.2
135.06474	1.6
136.07605	1.6
143.03523	1.0
143.04594	1.8
148.03912	1.0
150.05621	4.8
152.05376	1.4
152.07188	8.1
161.04565	4.1
177.77956	0.9
209.07121	2.3
210.07924	1.3
211.08736	11.5
215.99757	1.3
223.08722	2.9
225.10283	5.8
227.65274	0.9
236.05899	2.7
237.06688	13.9
237.10313	3.5
238.07086	1.7
238.11052	1.7
239.11838	3.1
241.54805	1.0
249.06621	2.5
249.10397	1.7
250.07381	3.5
251.08243	11.0
251.11838	3.2
252.08806	2.4
253.13554	1.1
262.07507	1.1
263.08194	3.8
263.11823	1.3
264.08994	4.4
265.09821	10.1
266.10175	1.9
269.09119	1.3
277.09750	4.1
278.10419	2.7
279.11481	5.4
280.11935	1.5
281.09351	1.1
281.12845	1.8
283.10458	1.2
285.03967	1.6
285.12476	1.2
291.11377	2.0
296.11490	2.4
305.09296	2.1
306.07602	2.4
307.10748	1.1
314.02695	1.0
314.12454	1.3
323.10278	1.6
328.14554	1.3
330.15790	1.4
337.11929	2.0
339.13071	1.2
350.12503	1.3
356.13998	3.6
357.14636	1.3
358.15527	7.1
370.15488	2.1
371.16470	1.8
372.17056	1.2
376.16745	1.2
381.11050	1.3
382.11856	1.3
384.13428	4.3
385.13983	2.3
396.13486	3.4
398.14865	3.3
399.15726	3.2
411.15726	1.7
412.16678	3.7
416.16132	3.6
430.17560	4.5
431.18405	1.3
442.17496	1.2
472.18533	1.5
574.21674	1.3
592.22699	1.2
605.77643	1.0
618.21167	1.8
633.23303	1.7
655.14758	1.1
664.25037	3.4
665.25873	77.0
666.26263	17.0
755.29639	7.6
756.29889	1.4
787.31903	100.0
788.32269	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
63.02426	0.5
65.00334	0.6
71.01371	0.7
73.41324	0.4
83.01371	0.6
85.02949	0.8
89.02474	0.6
89.03546	0.5
97.41219	0.4
107.01416	1.6
109.02982	0.6
113.02437	1.1
114.77905	0.4
120.01190	0.6
121.02973	0.5
127.61976	0.4
151.00371	6.0
155.04936	0.4
163.04291	1.0
169.01546	0.7
171.04553	0.6
175.00378	0.6
175.04071	0.6
178.99887	1.7
199.03990	3.2
201.01811	0.6
215.03406	2.1
226.02756	0.8
227.03494	3.4
228.03816	0.8
242.02235	0.6
243.02954	4.6
255.02985	4.7
256.03378	1.2
257.03809	0.5
271.02466	58.0
272.02832	4.8
284.03265	1.7
285.03851	3.1
286.04160	1.4
299.01965	100.0
300.02563	21.7
301.03510	14.3
302.03806	1.4
318.15042	0.4
325.09656	2.6
326.09830	0.5
341.05411	0.6
445.07605	0.5
462.08005	18.5
463.08679	7.2
463.73917	0.5
610.14673	1.0
611.15216	2.9
625.14075	29.0
626.14520	4.2
787.19324	38.7
788.19739	10.0
788.32037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
61.98821	1.2
63.02404	1.5
65.00320	3.1
66.61721	0.4
67.34005	0.4
69.47359	0.7
69.98026	0.4
71.01371	0.7
74.20566	0.4
83.01400	2.4
93.03435	0.5
107.01383	5.7
108.02181	1.0
109.02979	1.4
113.02494	0.5
121.02948	5.1
135.00858	0.8
148.01625	0.7
149.02420	0.9
151.00363	28.4
151.52936	0.5
152.00731	0.9
161.02425	0.6
162.04935	0.5
163.00258	2.2
169.01439	1.0
178.99849	13.1
187.04005	1.0
193.01410	0.9
199.03952	0.7
211.03923	0.8
226.02789	0.8
227.03537	2.8
228.04048	0.7
229.05063	0.9
243.02942	6.2
244.03604	0.6
245.04619	0.9
254.02170	1.5
255.02965	20.2
256.03302	2.3
271.02460	43.6
272.02863	4.1
273.03970	1.8
283.02420	1.1
284.03140	0.6
285.03760	1.3
299.02017	4.1
300.02728	81.4
301.03479	71.7
302.03864	6.0
343.04391	0.7
463.02545	0.8
463.08755	11.2
464.08997	1.2
507.01114	0.6
611.16125	0.9
625.14044	100.0
626.14435	17.8
639.70245	0.6
787.18988	3.0
788.19238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.6
59.50270	0.5
63.02399	0.7
64.60995	0.4
65.00312	2.5
68.75209	0.5
69.60182	3.4
71.01373	0.8
73.66244	0.5
76.73075	0.5
83.01395	1.3
89.02464	0.6
93.03468	1.0
98.20593	1.1
104.94891	0.6
107.01372	4.8
109.02946	1.0
121.02965	3.4
125.02397	0.8
137.02460	0.7
149.02388	0.8
151.00372	22.0
152.00862	0.7
161.02408	0.8
163.00371	0.9
164.01231	0.7
169.01428	0.8
175.00381	3.4
178.99850	3.5
187.03972	0.8
190.02628	0.5
199.04012	1.4
211.03943	0.6
212.49617	0.5
215.03452	1.3
226.02672	0.6
227.03383	2.5
228.03941	0.8
243.03030	3.5
254.02206	0.5
255.03029	4.1
256.03381	1.3
271.02469	41.1
272.02811	3.0
273.03955	0.6
283.02353	0.7
284.03336	1.3
285.03860	3.2
286.04083	1.0
287.04611	0.8
299.01968	74.1
300.02643	30.1
301.03525	100.0
302.03848	8.1
313.03528	1.8
343.04510	2.4
442.87021	0.6
462.08026	16.1
463.08777	76.2
464.09088	10.8
465.86328	0.6
479.72519	0.5
505.09778	0.8
537.35516	0.5
610.14288	0.7
611.15216	2.1
625.14063	97.8
626.14484	19.2
787.19147	4.4
788.19519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41872	0.8
59.01368	1.3
60.41128	0.8
65.00329	1.4
68.57186	0.7
70.16611	1.7
73.27576	0.8
83.01351	2.0
84.69458	0.7
85.92427	0.6
93.03469	1.1
107.01383	4.3
109.02937	1.5
109.56016	0.7
118.16571	0.8
121.02938	2.5
136.82104	0.7
137.02373	0.8
148.01773	0.9
151.00366	20.0
152.00789	0.8
153.59148	0.8
164.01013	1.1
169.01434	1.2
175.00317	2.5
178.99811	2.3
199.04054	1.0
205.91188	0.7
227.03455	3.5
228.03804	0.8
228.52611	0.9
243.02962	2.9
255.02812	4.2
256.03342	0.9
271.02463	35.0
272.02921	3.8
273.03906	0.8
283.02612	1.2
284.03241	1.2
285.03818	2.7
286.04001	1.7
299.01968	73.7
300.02689	28.2
301.03531	97.5
302.03851	8.1
310.49506	0.7
313.03470	1.8
315.05170	0.8
315.09995	0.8
343.04532	2.5
364.64120	0.9
462.01602	1.6
462.07974	18.1
463.08792	79.6
464.09158	8.9
608.26056	0.8
611.14929	1.2
625.14069	100.0
626.14343	17.3
752.10138	1.0
787.18823	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	785.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.3
59.01679	1.5
61.98843	3.8
63.02405	1.8
65.00335	1.4
71.01389	5.8
71.18860	0.8
71.19209	0.8
73.02957	1.3
82.92845	0.7
83.01421	1.9
85.02984	3.9
87.00896	1.3
89.02468	3.8
93.03481	2.0
98.28034	0.6
99.00855	0.9
101.02435	4.9
101.97031	0.7
107.01407	3.7
109.02898	1.3
113.02474	2.7
116.92929	0.9
117.03472	2.1
119.03528	1.5
125.02461	1.8
131.03488	1.2
132.02155	8.1
134.03723	7.3
135.00888	1.7
143.05095	0.8
145.02974	2.8
149.06071	1.2
151.00372	7.0
153.01976	0.9
157.03027	0.8
159.04533	1.9
160.01659	22.6
161.02414	4.8
161.04549	2.2
163.00377	3.1
167.04977	1.0
169.06656	0.8
171.04533	1.2
173.06082	0.7
175.02496	1.2
175.04019	20.1
176.04434	1.1
178.02667	0.8
178.99857	1.7
179.05598	1.2
183.04491	1.4
184.05075	0.7
185.02463	0.7
185.06068	2.2
187.04031	4.0
193.05074	5.5
197.06076	1.0
199.04076	1.3
201.05489	1.0
211.04010	2.8
213.05586	2.2
215.03722	0.8
226.94382	0.7
227.03493	41.2
228.03912	3.3
229.05028	11.7
239.03506	2.1
241.05069	1.5
243.02913	1.1
255.02979	74.7
256.03616	9.0
257.04507	8.2
267.02747	0.9
283.02493	3.7
284.03259	81.1
285.04022	100.0
286.04395	8.1
298.05060	0.7
299.02100	1.3
299.05450	1.1
300.02780	1.6
301.03397	0.9
315.05121	3.1
373.26678	0.7
429.08154	0.9
481.57236	0.8
485.13568	0.7
499.14627	4.4
563.36206	1.6
591.13501	9.5
592.13580	1.1
593.37091	1.1
609.14581	17.7
610.15131	4.0
623.15930	2.0
725.41376	3.5
725.52631	0.9
785.19299	54.2
786.19751	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	785.1938
Annotation	Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside)
Peak:m/z	Relative Intensity
58.00588	1.3
59.01377	13.5
61.98834	21.8
63.02377	1.5
65.00310	2.4
69.90486	1.5
69.90880	2.6
71.01384	12.7
72.99285	1.1
73.02942	2.8
77.20132	1.1
78.95879	1.5
83.01387	3.3
84.14511	1.0
85.02949	5.0
87.00874	2.7
88.98832	1.4
89.02453	9.0
93.03458	2.2
95.01373	1.9
97.02874	1.1
98.20506	1.2
99.00869	1.6
101.02444	10.0
107.01407	4.4
109.02966	1.9
111.00840	1.5
113.02461	5.7
114.03844	0.9
116.92855	1.1
117.03438	1.7
119.03504	3.5
121.02957	1.8
125.02419	1.3
128.28902	0.9
131.03513	1.1
132.02193	8.6
134.03738	13.6
135.00870	1.6
135.04099	1.3
137.02457	1.0
143.03520	2.4
143.04872	1.0
149.06091	1.4
151.00362	7.2
159.03004	1.3
159.04475	1.6
160.01654	21.7
161.02332	3.5
161.04539	3.1
163.00371	2.5
165.01849	2.2
169.06540	1.0
171.04538	1.1
173.06049	1.1
175.04001	18.0
178.02667	1.9
179.03401	1.3
179.05597	3.0
183.04436	2.2
185.06070	2.9
187.03998	4.0
192.06754	0.9
193.05060	11.5
195.04396	1.0
211.03987	5.0
213.05525	2.5
221.06718	1.1
227.03502	50.4
228.03951	4.6
229.05064	11.3
239.03458	2.6
241.05029	2.0
255.02985	87.6
256.03577	14.3
257.04532	8.0
267.02945	1.0
283.02515	2.6
284.03265	97.3
285.04025	100.0
286.04330	7.8
299.05472	2.3
327.05157	1.4
367.12439	2.4
392.31717	1.1
485.13098	2.2
499.14642	4.2
537.32495	2.1
591.13599	8.4
592.13855	1.1
609.14777	9.9
610.15167	1.2
623.29095	2.7
703.32330	1.8
717.57843	1.0
785.19464	74.6
785.34033	3.6
786.19611	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	785.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.5
70.08236	3.1
75.00859	1.9
83.01382	1.2
85.02954	6.2
89.02434	1.1
95.01374	1.7
98.19823	0.7
99.00871	2.2
107.01384	2.0
113.02456	9.0
115.00367	0.8
137.75945	0.7
151.00375	5.5
175.02492	1.8
178.99828	2.2
202.48907	0.6
211.03986	1.6
213.05513	0.9
227.03505	35.1
228.03787	3.5
229.05060	2.7
241.05115	0.8
255.02988	56.6
256.03574	9.5
257.04559	3.5
269.04825	1.1
283.02515	4.3
284.03262	100.0
285.03943	36.2
286.04419	2.7
298.04916	0.9
309.03979	1.0
327.05008	0.8
339.04910	1.2
377.92361	0.8
429.07910	1.7
609.14606	59.2
610.14819	10.8
785.17798	13.4
785.31317	1.1
786.18103	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	785.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.6
61.98833	18.0
63.02388	1.6
69.03452	1.3
69.37746	8.5
71.01385	8.8
72.99299	1.2
73.02952	2.5
78.95898	1.9
79.11777	0.9
82.38914	1.0
83.01385	3.1
85.02948	3.4
87.00886	2.8
89.02445	7.5
93.03449	2.1
95.01365	1.3
98.19684	1.2
99.00892	1.5
101.02444	8.9
107.01388	3.9
109.02907	1.4
113.02446	4.8
116.62149	1.0
117.03464	1.5
119.03516	3.9
121.02940	4.2
124.01651	1.1
125.02452	2.6
127.55014	1.1
132.02185	8.9
133.02902	1.6
134.03751	17.4
135.00877	2.6
143.03477	1.0
149.06104	2.6
151.00400	8.8
159.04492	1.2
160.01677	22.9
161.02359	2.5
161.04527	3.6
163.00383	4.0
165.01910	4.9
165.05522	1.2
169.01466	2.4
175.04002	20.5
176.04393	1.4
178.02760	2.6
179.03529	1.5
179.05611	3.5
183.04504	1.9
185.06122	2.5
187.03993	3.0
189.05534	1.5
193.05064	9.3
211.04008	3.1
213.05467	1.6
221.60371	1.0
227.03508	49.2
228.03900	4.3
229.05052	11.6
239.03375	2.6
241.05022	2.2
255.02992	95.2
256.03616	11.5
257.04532	7.8
283.02463	4.0
284.03268	96.8
285.04028	100.0
286.04300	7.6
327.05106	1.8
485.13132	2.9
499.14850	5.1
537.32910	5.5
579.33630	2.6
591.13660	9.8
609.14758	8.1
610.14410	2.0
623.29132	2.2
640.74066	1.1
785.19403	85.0
786.19562	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25396	1.4
57.03451	1.8
59.01380	7.7
61.98845	10.9
65.00325	2.2
66.08652	1.8
71.01377	5.3
71.61388	2.4
73.02927	3.6
83.01373	2.6
85.02940	3.1
87.00895	3.1
89.02455	4.6
96.96046	2.2
96.96941	1.6
99.92552	2.2
101.02449	4.2
107.01338	1.7
113.02492	2.8
116.92870	24.8
117.01951	2.0
128.03474	1.6
132.02182	5.8
133.14214	1.6
134.03740	4.2
145.02963	1.9
151.00385	4.7
160.01666	15.1
161.02487	4.1
163.00415	2.8
175.03987	10.6
177.01926	2.8
178.99889	2.6
183.04521	1.8
187.03925	1.6
193.05072	3.0
211.04066	2.0
227.03490	46.4
228.03981	3.4
229.05035	4.0
246.80455	1.4
255.02989	80.0
256.03522	11.2
257.04419	4.0
283.02435	5.5
284.03262	100.0
285.03958	41.2
286.04391	2.7
347.17078	2.5
458.74619	1.4
591.13525	12.9
609.14606	19.0
610.14813	2.9
623.15588	3.2
785.19092	42.0
786.19867	10.3
786.33197	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	785.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
63.26700	1.1
65.00338	1.3
71.01388	4.1
72.99316	1.1
75.00871	1.8
78.95917	8.1
83.01373	1.4
85.02979	7.4
87.00875	1.4
89.02432	2.1
94.18295	1.2
95.01387	1.4
96.96976	5.2
97.22920	1.2
98.19849	3.4
99.00915	2.8
105.01943	1.4
107.01411	2.3
112.57117	1.0
113.02478	6.5
130.06584	1.0
139.58817	1.0
151.00391	4.8
157.06561	1.7
160.01611	3.0
163.00346	3.8
169.06445	1.6
175.02562	1.9
175.03973	3.0
185.06099	2.0
187.03973	2.5
197.06096	1.3
199.03928	1.2
211.04076	1.9
213.05531	2.6
227.03506	35.2
228.03874	3.4
229.05055	12.1
229.82063	1.1
239.03291	1.3
240.04266	1.2
241.05087	1.8
247.47205	1.2
255.02977	60.7
256.03552	8.0
257.04517	6.1
279.04861	1.4
284.03281	57.3
285.04031	100.0
286.04410	8.4
327.05035	2.8
346.05682	1.5
438.08823	1.9
447.09103	1.4
609.14612	89.2
610.14929	19.2
610.23724	0.8
762.91064	1.4
785.17773	28.9
786.17859	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	785.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
57.03447	0.8
59.01382	2.9
63.02383	0.7
65.00324	0.7
71.01389	6.8
72.99313	1.4
75.00871	2.1
83.01398	0.8
83.34427	0.6
85.02954	8.4
87.00857	0.9
89.02422	1.1
93.03461	1.1
95.01406	2.3
99.00877	2.7
101.02433	1.0
103.00360	1.0
105.01939	0.9
107.01394	2.5
113.02451	10.2
115.00365	1.1
117.01941	1.4
132.02185	0.7
135.00887	1.0
151.00374	7.6
160.01584	0.6
163.00456	1.3
164.60341	0.6
169.01576	0.6
175.02467	3.1
175.03882	1.0
178.99854	2.2
183.04532	1.1
185.06068	1.5
187.03995	1.3
190.99806	0.7
193.87611	0.6
195.04567	0.9
199.04097	0.6
201.84608	0.6
211.04018	1.8
213.05545	1.1
227.03493	48.2
228.03807	3.6
229.05020	5.7
239.03519	1.2
241.05002	1.5
254.53307	0.6
255.02980	76.6
256.03476	10.3
257.04520	4.3
267.03082	0.7
269.04407	0.7
281.04538	0.9
283.02496	8.0
284.03253	100.0
285.03998	69.3
286.04391	6.0
288.01013	0.6
309.04099	0.6
326.04141	0.8
327.05264	1.4
358.96619	0.6
366.02136	0.6
429.08197	1.4
447.09555	1.4
461.07108	0.9
466.97540	0.7
607.02368	0.7
609.14581	99.2
610.14917	18.4
651.16107	1.6
785.17822	22.3
786.18115	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	782.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44246	0.2
56.27324	0.2
61.98832	100.0
63.19192	0.2
70.36382	0.7
75.00880	0.3
76.45796	0.2
80.96512	0.4
98.19907	0.3
110.22318	0.2
116.92889	0.3
135.43857	0.2
145.34200	0.2
160.62004	0.2
221.87801	0.2
224.13741	0.3
277.21686	0.3
278.22083	0.3
343.20294	0.2
682.86127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98825	3.3
74.39592	0.4
91.01933	0.7
98.20737	0.7
99.09124	0.4
103.54005	0.4
108.63853	0.4
108.90192	1.1
110.46761	0.4
120.02183	0.7
121.02958	100.0
122.03303	3.9
136.01640	1.2
165.01933	2.6
181.05168	0.4
181.06606	2.5
191.03485	1.7
209.04546	69.7
210.04878	4.5
225.05588	2.2
308.97717	0.5
313.07141	4.2
314.07410	0.5
357.06262	1.8
401.08762	10.1
402.09119	1.3
422.97446	0.4
549.10272	0.5
575.11902	0.7
642.34949	0.5
785.17151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.6
61.98837	1.7
63.96236	1.7
71.60792	0.4
72.98928	0.6
72.99312	8.2
75.00873	4.5
87.00873	1.3
94.35324	0.4
103.00370	2.4
104.03551	1.3
105.00210	2.1
105.01937	100.0
106.02270	1.9
123.22966	0.4
147.44162	0.4
220.14662	0.4
249.31255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01928	0.9
61.37142	0.8
64.74557	0.8
70.26873	1.6
70.27268	1.7
78.95905	51.9
82.31778	0.8
96.96065	7.0
96.96965	100.0
113.73022	0.9
152.92360	0.9
341.10541	1.0
363.11703	0.8
439.08533	27.1
440.08820	2.1
547.19592	1.2
796.26080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.4
57.03444	10.1
58.00587	2.4
59.01381	76.8
61.98836	7.0
63.91870	2.0
69.03442	11.0
71.01383	91.7
71.61497	2.8
72.01721	2.0
72.99309	4.6
73.02946	17.6
75.00849	2.2
78.95912	1.9
81.03450	2.7
81.50610	1.9
83.01389	30.7
85.02953	34.9
87.00893	7.6
89.02443	60.6
90.02785	2.0
93.03455	2.6
95.01394	57.7
96.96027	4.5
96.96880	1.9
97.02950	4.0
99.00890	10.5
101.02450	73.3
103.00355	3.5
106.65891	2.0
109.19163	1.8
111.00891	11.5
113.02451	66.7
114.02827	2.9
115.03996	2.2
119.03500	17.2
123.00897	2.3
123.04530	3.4
124.01701	2.7
125.02447	25.6
127.00389	14.2
129.01930	2.2
131.03526	3.8
134.03735	22.1
136.01659	2.4
137.02431	6.4
139.00375	44.6
143.03552	11.8
149.02470	4.4
149.04491	2.6
149.06099	4.7
150.03217	5.5
151.00377	5.7
151.04030	8.1
157.01453	5.3
159.02945	4.3
161.04567	22.9
165.05573	6.1
167.03494	2.4
169.01471	9.4
178.02708	11.9
179.05595	11.1
181.05127	3.7
187.02499	3.0
190.40292	2.0
193.05046	24.0
207.06555	2.5
209.15456	16.7
229.03493	7.7
247.04486	4.2
287.09387	2.3
297.21576	2.1
299.01862	1.9
305.08566	2.2
323.09842	4.5
341.10794	29.8
342.11072	2.4
371.20737	19.6
389.12302	3.2
409.09833	49.8
409.15097	3.6
410.10181	7.1
439.19769	17.0
515.24835	5.1
533.26019	44.1
534.26575	9.0
575.27002	5.9
576.27283	2.3
601.25000	6.7
642.05426	2.2
643.26117	100.0
644.26270	21.8
673.27142	45.3
673.37122	1.4
674.27570	11.5
685.27069	4.0
781.27283	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	779.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58713	0.9
59.01380	19.0
61.98827	2.9
69.03455	1.1
71.01373	3.7
71.05010	1.2
71.16034	1.0
71.16376	1.2
73.24699	1.0
87.00882	1.0
89.02452	1.6
101.02409	2.2
116.92921	1.0
161.04509	1.6
161.13451	0.8
163.77213	1.0
167.10764	1.9
179.10796	1.9
179.14377	2.8
195.13895	8.8
197.51364	0.9
205.12360	9.7
223.13388	100.0
224.13763	8.5
235.08185	2.4
239.05164	1.0
245.35106	1.0
253.09285	8.4
277.21722	70.6
278.22113	8.9
306.98868	0.9
409.45657	0.9
416.63797	0.9
441.20901	2.6
459.22372	14.0
460.22223	1.5
701.98065	1.0
719.42871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38145	0.7
59.01350	1.1
61.98844	1.7
79.95731	1.7
96.96009	69.5
98.19875	2.5
126.65329	0.9
137.56137	0.7
175.04057	1.0
177.05614	1.4
186.25473	0.9
255.02647	0.7
265.14764	100.0
266.15088	7.7
377.89063	0.8
398.92599	0.9
473.40625	0.9
720.02344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03451	37.5
58.00586	1.6
59.01380	100.0
60.01698	1.1
61.98827	4.4
69.03465	7.0
71.01383	25.7
72.01705	1.3
72.99323	0.8
73.02946	5.7
74.99103	2.1
81.03452	3.0
83.01387	51.8
83.05047	1.3
84.01714	1.6
85.02957	7.6
87.00848	1.4
89.02451	17.2
95.01382	3.2
97.02959	6.8
99.00892	2.0
99.04520	57.0
100.04861	1.2
101.02451	28.0
102.02832	0.9
109.02917	1.0
111.00905	1.0
111.04518	2.3
113.02455	16.8
119.03474	5.6
120.85507	0.9
121.07383	0.9
123.04514	1.1
123.08221	0.8
125.02449	92.2
126.02788	4.0
127.00359	3.2
128.03476	0.8
131.03526	1.0
136.99155	1.5
139.00333	1.5
143.03517	8.2
151.20453	0.8
153.87910	0.8
155.03510	20.7
157.01428	0.8
161.04547	10.8
167.03522	6.1
169.01404	0.9
173.04535	2.3
174.01688	2.3
179.05632	6.8
185.04567	2.5
189.12865	1.5
203.05717	4.1
203.07231	0.8
207.13858	1.6
221.06561	1.1
221.78134	0.8
225.14993	1.3
229.94855	1.0
245.06598	2.8
263.07678	3.2
291.27548	0.9
297.28986	0.9
305.08701	2.0
369.19080	1.7
370.19217	1.0
387.20044	3.1
411.20071	1.2
412.56732	1.0
429.21286	11.8
430.21545	1.3
471.22363	5.8
489.15524	0.8
497.20496	4.4
511.25620	1.1
513.23364	10.3
527.21979	1.8
529.26611	1.5
530.27203	1.2
536.37158	0.9
539.21149	1.2
557.22180	1.2
573.25543	11.9
574.26007	2.0
779.29041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
56.56334	0.8
57.03449	32.0
58.00589	2.2
59.01381	100.0
60.01707	1.9
61.98828	19.6
62.07993	0.9
66.88758	0.9
69.03451	5.3
69.35254	5.8
69.35670	2.7
70.15205	1.0
71.01382	46.2
72.01752	1.2
72.99307	3.2
73.02944	9.4
74.51027	0.9
81.03453	2.5
83.01388	17.8
83.05003	1.1
83.45816	0.8
85.02953	18.8
87.00870	4.7
89.02440	25.4
90.83656	1.0
93.03490	1.2
95.01404	5.4
97.02953	8.1
98.20585	1.8
99.00900	4.8
99.04520	32.5
101.02446	37.0
102.02730	0.9
103.45193	1.0
111.00856	1.1
113.01686	1.9
113.02454	31.0
114.02812	1.2
119.03496	9.4
123.00936	1.3
123.04560	1.1
125.02445	53.7
126.02806	1.4
127.00311	1.2
128.03580	1.6
131.03479	1.8
134.03740	1.6
137.02478	1.0
137.09705	1.9
143.03511	8.4
151.00436	1.4
151.07632	1.3
152.08388	1.6
153.09271	1.1
155.03493	9.6
159.02963	1.0
161.04532	10.2
164.16974	0.9
167.03499	2.0
173.04683	1.6
175.04030	1.0
178.02728	0.9
179.05611	5.1
193.05031	4.9
197.15459	3.3
203.05559	1.7
205.12337	1.2
205.60379	0.9
207.13911	4.4
225.14963	16.2
226.15292	2.0
238.93843	0.9
245.06544	1.4
249.15173	1.0
263.07791	2.1
264.93546	1.0
271.02438	1.8
289.90225	0.9
300.02646	2.3
301.03506	2.3
369.19171	48.6
370.19626	5.4
387.20224	52.6
388.20563	5.4
411.20215	9.5
412.20392	1.2
424.15033	2.2
429.21237	56.5
430.21689	6.5
438.16760	4.4
471.22214	6.8
497.20322	3.4
513.23291	11.3
514.23694	1.6
529.26276	1.4
531.24414	38.2
532.24786	6.8
549.25586	15.5
550.26056	2.5
573.25488	21.9
574.25775	4.1
591.26520	36.4
592.26782	8.1
622.77777	1.1
633.27411	2.4
735.30634	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	777.42
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	8.2
61.98825	12.3
70.46339	15.7
71.01382	10.7
87.00862	5.2
101.02486	10.0
113.21252	4.9
160.23090	5.1
179.05591	4.5
179.70792	4.1
185.78619	4.1
193.04970	4.4
195.34004	4.3
231.34270	5.1
237.18266	4.5
307.22504	4.2
321.98956	4.5
332.23322	4.6
542.45996	4.9
592.10339	4.9
603.04163	4.7
618.16821	5.4
777.41943	100.0
778.42212	32.3
794.81177	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	779.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.3
55.80342	1.2
57.03452	29.3
59.01382	100.0
61.98830	16.0
69.03455	5.1
71.01388	46.3
71.60822	2.2
72.99306	4.0
73.02955	10.6
75.00860	1.3
81.03436	3.6
83.01395	17.8
83.05034	1.3
85.02946	16.0
87.00861	4.8
89.02450	21.6
95.01378	4.4
96.96021	2.4
97.02971	6.7
99.00874	2.8
99.04520	34.5
100.04908	1.4
101.02439	37.9
102.02789	1.8
111.00871	1.9
113.02444	32.5
119.03508	10.5
123.04546	1.6
125.02451	58.6
126.02755	3.3
127.00349	2.0
127.05098	1.3
128.03537	1.4
134.03741	2.8
137.09804	1.9
143.03537	10.3
149.04579	2.5
151.00362	2.3
152.08456	1.6
155.03534	9.5
159.57292	1.3
161.04558	10.0
167.03474	2.5
175.04015	2.5
178.02632	1.7
179.05600	5.3
193.05072	2.0
207.13901	5.0
225.14980	12.3
255.03006	1.6
285.03955	1.7
300.02658	2.5
301.03531	3.4
315.23242	1.5
316.10721	1.9
369.19156	35.8
370.19470	4.9
387.14990	2.2
387.20224	40.3
388.20505	5.6
406.14124	1.7
411.20322	7.4
424.15067	3.0
429.21274	52.7
430.21609	6.9
438.16611	4.0
471.22467	6.1
497.20322	4.2
513.23267	9.6
527.21112	2.1
529.27032	1.5
531.24390	35.3
532.24713	4.6
539.20923	2.3
549.25494	12.1
550.25879	2.0
573.25464	22.2
574.25928	3.4
591.26605	30.5
592.26788	6.5
633.27411	3.8
667.50018	1.6
675.30377	1.5
680.20551	2.3
735.30890	8.8
736.31018	3.9
779.27875	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	775.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81031	17.9
61.84933	13.8
61.98836	100.0
71.65628	16.8
111.58997	15.3
136.01672	14.8
189.08586	15.2
189.10573	14.7
211.13292	29.4
219.15152	15.4
276.80322	16.0
277.21582	24.7
339.42892	14.3
534.40082	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	775.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98533	0.3
70.35590	0.4
85.85928	0.1
86.05357	0.1
94.16669	0.1
114.37785	0.1
125.26000	0.1
145.05481	0.1
171.31830	0.1
171.33588	0.1
174.12416	0.1
369.43149	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98542	0.2
70.35196	0.2
70.35582	0.3
219.22166	0.1
258.92630	0.1
502.84668	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	777.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46076	0.2
59.01394	1.1
59.01640	0.2
61.98831	1.4
70.26603	0.3
71.01386	1.2
71.60490	0.2
72.93013	0.2
73.02948	0.3
78.63224	0.2
78.95908	13.1
79.95738	3.7
85.02967	0.3
88.98742	0.3
89.02457	1.4
93.51110	0.2
96.96015	100.0
96.96926	13.0
97.95956	0.5
101.02455	0.7
113.02456	0.7
114.93355	0.3
119.03503	0.6
128.03540	0.5
132.02203	1.0
134.03775	0.5
143.04651	0.7
160.00420	0.4
160.01662	4.9
161.04544	0.5
175.02452	0.5
175.04001	5.8
176.04445	0.3
179.05690	1.4
191.07094	0.3
193.05098	1.5
210.08774	0.2
217.05127	0.3
218.11996	0.2
235.06099	0.6
255.03162	0.2
257.30719	0.3
259.06140	0.3
272.08878	0.3
297.08313	0.4
300.02728	0.3
306.07666	0.9
308.07373	0.3
355.10318	0.8
397.11490	2.4
398.11862	0.4
439.12787	0.4
486.18372	0.2
661.19702	0.3
679.21362	0.8
762.57605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	4.1
59.01376	1.2
61.98832	5.4
64.95233	1.1
66.03478	0.6
66.31433	0.5
69.28249	1.0
69.28662	3.6
70.02974	0.5
70.99622	0.4
71.01380	1.7
72.00922	0.6
74.02480	11.6
79.93964	1.5
81.04581	0.6
82.02984	1.4
85.04066	0.6
86.02476	5.8
86.99088	0.9
87.05651	2.3
88.04048	0.8
90.00204	0.7
92.49512	0.4
97.04081	1.4
98.20692	0.8
99.05643	8.6
101.07220	2.0
102.05592	1.2
107.06118	0.6
109.04060	1.3
109.07719	0.6
112.04002	0.9
113.03513	0.6
116.01746	0.7
120.01276	0.8
120.97876	2.0
121.03003	0.4
123.05659	1.1
125.03565	0.9
126.01979	0.5
127.05167	2.5
128.03543	34.7
129.03905	1.0
135.05666	2.6
141.06679	2.1
143.04626	40.9
144.04941	1.1
145.06177	2.6
146.04564	4.0
149.07217	0.5
153.06760	2.5
155.08286	0.7
160.00740	8.3
166.09831	1.7
167.04675	2.6
167.08244	1.5
171.04080	1.0
171.07707	1.8
176.07028	0.5
177.03398	3.0
179.04630	7.7
181.06198	1.5
184.10951	0.5
185.05705	2.9
195.06558	0.6
197.05696	0.8
199.07236	1.0
210.08836	9.1
223.06030	0.8
228.09805	0.5
242.07782	1.2
249.05591	0.7
254.07814	10.9
255.08205	0.6
272.08871	25.8
273.09174	1.8
285.03983	0.5
288.06595	4.0
304.06201	0.7
306.07642	100.0
307.07941	7.2
346.10629	2.9
347.11002	0.6
356.65259	0.6
378.07944	14.7
379.08139	1.0
394.07529	2.9
428.06244	6.2
429.06470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
59.48478	0.4
61.98828	1.0
63.02400	1.0
64.49099	0.4
65.00321	0.5
65.42081	0.4
69.49433	1.9
69.49860	1.3
71.01376	1.4
73.02953	0.6
75.00854	0.5
78.38807	0.4
83.01382	0.6
85.02964	0.7
89.02455	1.0
93.03474	1.6
95.01412	0.4
96.90182	0.4
101.02426	0.7
106.07337	0.4
107.01381	2.5
109.02951	0.9
113.02458	0.8
117.03428	0.4
117.42084	0.4
129.31242	0.4
131.05031	0.4
135.00912	1.5
143.05034	1.0
145.02975	0.4
151.00327	2.4
153.01958	0.8
156.05855	0.5
157.06548	0.7
159.04536	1.6
161.02365	0.6
161.04607	0.5
163.00362	2.1
165.01852	0.4
165.98964	0.4
167.04974	0.7
169.01440	0.5
169.06528	0.9
173.06026	0.5
179.05580	1.0
183.04552	0.7
185.06139	2.4
187.03941	3.2
189.05531	0.8
195.04529	0.8
197.06021	0.8
199.04022	1.4
201.05583	1.1
211.04008	2.1
213.05544	2.1
215.03560	0.4
223.73628	0.4
227.03494	12.2
228.03841	0.7
229.05022	11.2
230.05373	0.6
239.03424	1.3
240.04245	0.7
241.05028	1.6
243.03119	0.4
255.02972	16.2
256.03601	3.1
256.92752	0.4
257.04526	7.5
267.03012	1.0
271.02502	0.6
284.03268	14.6
285.04041	100.0
286.01474	0.7
286.04410	7.7
300.02921	0.7
301.03470	1.6
329.13068	0.4
345.35028	0.5
353.10312	1.0
420.97076	0.4
447.10294	0.5
609.12769	1.4
728.56909	0.4
729.41492	0.5
742.95300	0.5
771.19843	24.1
772.20050	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	771.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18311	0.1
59.01371	0.5
61.98829	0.8
71.10192	0.3
73.02948	3.6
75.00872	0.2
95.40594	0.2
96.96012	0.6
99.00896	0.7
99.92586	10.7
100.92578	0.4
114.93417	0.5
116.03593	0.2
116.92863	100.0
116.97240	2.4
117.01940	6.5
117.05637	0.2
117.92868	5.2
144.22328	0.2
177.29474	0.2
255.23375	0.2
265.14804	0.7
409.93948	0.2
410.20740	0.2
473.09866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38217	0.1
59.01386	0.2
61.98828	0.6
70.82394	0.3
73.02949	2.0
78.95908	0.2
99.92589	11.5
100.92621	0.7
114.93416	0.6
116.92864	100.0
116.97216	1.6
117.01941	3.4
117.92876	5.8
161.74522	0.2
181.00110	0.1
275.96472	0.2
358.90479	0.2
458.47427	0.1
493.15350	0.2
549.38855	0.2
767.36938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
61.98827	1.8
71.01366	0.3
71.09549	0.7
74.33762	0.2
74.35892	0.2
78.95905	21.0
79.95744	3.4
94.92566	0.3
94.98083	0.7
96.96021	100.0
96.96964	27.0
97.95950	0.5
98.02471	0.3
125.02503	0.2
145.20900	0.2
172.00177	0.3
198.74167	0.3
277.21707	0.7
397.13586	0.6
453.09436	0.4
713.30933	0.5
773.42456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	4.1
68.12132	0.3
69.31848	0.4
69.32246	2.8
78.95905	22.6
79.95746	3.2
82.17451	0.3
94.98071	1.5
96.96014	100.0
96.96962	28.6
98.02484	1.2
98.20075	1.6
98.90680	0.7
106.40948	0.4
139.85899	0.4
145.74353	0.3
153.69028	0.3
169.73543	0.4
275.54443	0.3
292.69662	0.3
341.15979	0.3
360.56076	0.4
362.34595	0.3
734.89233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45144	0.6
58.02972	5.1
59.01385	0.9
61.98825	2.8
64.95246	1.4
66.03465	0.6
70.02966	0.8
71.01382	1.6
72.00912	1.6
72.07900	0.6
73.01183	0.6
74.02477	13.5
79.93986	2.8
81.04588	0.7
82.02987	1.6
85.02935	0.6
86.02480	7.5
86.99116	0.6
87.05652	3.2
87.06116	0.6
89.00691	0.9
89.02404	0.7
90.00193	1.0
96.04550	1.0
97.04055	1.3
99.05648	11.6
100.00375	1.2
101.02436	0.6
101.07182	1.7
101.07861	0.6
102.05618	1.3
104.73491	0.6
104.98445	0.6
107.06152	0.8
109.04059	2.1
111.05624	0.6
112.04102	0.9
113.02421	0.9
116.01781	0.7
120.97884	3.3
121.02950	0.9
123.05603	1.1
124.03996	1.0
125.03557	1.8
125.07178	0.6
127.05156	2.0
127.15996	0.5
128.03540	41.5
129.03857	1.6
131.41100	0.5
132.04573	1.0
135.05630	2.9
137.07217	1.1
141.06703	1.9
143.04620	49.6
144.05026	1.1
145.06209	3.2
146.04614	5.0
149.07190	0.7
153.06656	2.8
155.08263	0.9
158.06102	1.2
160.00731	8.6
166.05647	0.6
166.09856	2.1
167.04604	2.6
167.08250	2.3
169.06239	0.7
170.03363	0.7
171.07733	5.1
177.03418	3.0
179.04630	11.7
181.06161	1.9
184.10924	1.0
185.05666	2.6
192.07768	0.8
193.05016	0.6
197.05653	1.6
199.07220	2.1
201.05154	0.7
210.08832	10.3
211.09302	0.8
217.08379	0.6
220.06136	4.9
228.09914	0.7
242.07837	0.7
244.09288	0.7
249.05461	1.2
254.07808	13.8
255.03075	1.0
256.03372	0.7
272.08862	38.9
273.09146	2.7
284.03030	0.7
285.03802	1.9
286.04224	2.2
287.04510	0.7
288.06741	4.8
304.06046	1.4
305.08676	1.0
306.07645	100.0
307.07935	7.3
328.09793	0.8
335.41943	0.5
346.10757	12.3
347.10892	0.7
376.06561	0.7
378.07983	12.8
379.08240	1.3
380.10229	0.6
394.07455	6.6
410.05014	0.9
428.06247	24.0
429.06442	1.8
586.29291	0.7
611.15173	0.8
612.15472	1.3
613.15546	0.8
625.35504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	6.4
61.98832	4.9
63.02389	2.5
65.00330	1.8
71.01366	4.9
71.60686	1.0
73.02949	1.3
75.00876	0.9
79.37283	0.8
83.01378	2.4
83.06831	0.8
85.02943	2.2
87.00880	1.3
89.02425	4.8
93.03451	2.7
95.01344	1.2
101.02441	2.8
107.01390	5.7
109.02950	1.2
111.20129	0.9
113.02441	1.8
119.03484	1.6
125.02486	1.3
132.02164	1.7
137.06068	1.1
138.22662	0.8
141.59602	0.9
147.04478	0.9
151.00365	12.3
159.04510	1.4
161.04489	1.1
163.00392	2.4
164.01015	0.9
165.02080	0.9
169.01428	1.8
178.99864	1.1
179.05579	2.5
183.04462	2.0
185.06067	2.7
187.04001	2.2
199.03981	2.1
211.04019	3.7
213.05617	2.2
227.03500	33.0
228.03865	2.2
229.05020	9.1
239.03534	2.2
241.05020	2.4
255.02972	73.2
256.03479	10.5
257.04510	8.4
283.02469	34.0
284.03238	83.9
285.04013	100.0
286.04343	9.2
385.18613	1.5
387.10745	3.7
429.08350	1.1
446.08173	1.0
447.09317	15.4
448.09564	1.4
555.74677	0.9
609.14600	69.1
610.14819	14.8
771.19855	37.1
772.20435	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	771.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
60.99292	0.9
61.98827	1.2
63.02411	0.9
65.00339	0.8
70.35068	1.3
72.99307	1.1
78.42004	0.5
81.28279	0.5
83.01404	1.3
88.98796	4.9
89.02434	1.1
90.99231	0.6
93.03448	0.8
101.02441	0.6
107.01389	2.0
113.02431	0.6
117.03466	0.9
132.02173	1.1
151.00362	5.7
159.04539	0.8
160.01671	3.1
163.00394	0.8
169.01436	0.5
173.02629	0.5
175.03969	3.4
178.99849	1.4
179.05618	1.4
179.33882	0.4
183.04480	2.5
185.06102	0.6
187.04053	0.8
193.05002	0.8
199.03954	0.8
211.03967	2.1
213.01898	0.5
213.05632	0.7
217.05057	0.5
227.03496	13.8
228.03955	1.0
229.05028	1.6
239.03410	1.0
243.61795	0.5
255.02977	55.3
256.03397	6.4
257.04538	2.8
271.02374	1.2
283.02469	67.9
284.03210	55.9
285.03992	38.7
286.01590	0.6
286.04398	3.8
298.04532	0.7
299.01923	2.4
309.04047	0.6
326.04196	0.7
327.05099	1.7
397.11322	1.5
406.28754	0.5
429.08124	2.0
446.08524	7.0
447.09296	15.0
448.09555	1.6
462.07935	0.7
543.26892	0.6
551.04303	0.5
609.14569	100.0
610.14862	19.6
610.24854	0.7
618.60309	0.6
651.15540	1.3
771.20129	3.5
772.20361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1987
Annotation	LMPK12111744
Peak:m/z	Relative Intensity
57.75483	0.4
59.01395	0.4
63.02404	0.5
68.01654	0.4
69.96452	2.4
76.83224	0.4
77.94444	0.4
83.01418	0.5
93.03490	1.0
95.47997	0.5
96.74863	0.6
97.47318	0.4
107.01409	1.2
117.03448	1.0
125.02480	0.6
143.05003	0.7
151.00395	3.3
154.04263	0.7
155.05034	0.7
158.41910	0.4
159.04520	0.9
161.99316	0.5
163.00343	0.8
165.01863	0.5
169.01512	0.5
169.06584	1.0
171.22949	0.5
183.04471	1.6
184.84007	0.6
185.06091	1.6
187.04085	1.1
211.04001	1.2
213.05621	0.6
224.88240	0.6
227.03516	7.0
228.03864	0.6
229.05075	2.2
239.03529	0.5
241.05042	0.6
253.05009	0.6
255.02988	27.2
256.03397	3.0
257.04517	1.7
269.04419	0.8
281.04623	1.0
283.02475	37.8
284.03204	15.9
285.04034	100.0
286.04376	9.2
297.04086	0.6
307.06281	0.6
325.81088	0.5
327.05051	3.0
446.08405	3.7
447.09247	13.0
448.09555	1.2
508.07144	0.5
609.14575	41.8
610.14923	7.3
651.15765	1.3
771.19830	18.0
772.20404	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	769.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.9
59.01382	16.7
62.37573	0.6
69.32342	0.6
69.46804	5.5
71.01383	9.5
72.99311	0.7
73.02943	0.7
83.01409	1.2
85.02945	1.8
85.57693	0.6
87.00877	1.3
89.02438	7.4
95.01357	1.2
99.00891	0.9
101.02454	7.3
107.51443	0.7
113.02473	4.2
113.03097	0.8
119.03503	4.0
125.02420	0.8
127.11275	2.1
139.11176	0.8
143.03499	0.6
155.10719	0.7
157.12355	9.7
158.12636	0.7
161.04524	1.1
179.05681	1.5
185.11819	1.4
187.13374	1.0
199.13297	1.0
203.12877	34.3
204.13222	2.0
245.14000	1.0
365.18149	100.0
366.18491	10.0
488.93814	0.7
574.31293	0.7
699.03015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.64842	0.4
66.91769	0.3
72.77673	0.3
75.20692	0.3
78.95933	1.0
79.10567	0.3
83.20132	0.3
86.31503	0.4
89.86655	0.3
98.19800	0.5
152.99619	0.4
156.05150	0.4
195.13933	0.5
211.13394	0.5
275.23322	0.3
277.21918	0.8
283.91537	0.3
295.22745	2.9
420.70007	0.4
586.39050	0.4
770.49158	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	771.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82436	1.1
59.01373	2.2
59.11252	1.0
61.98823	1.1
71.61317	1.7
76.48077	1.0
81.10429	1.0
83.01374	1.0
87.00909	1.0
88.89481	1.1
89.02436	1.3
93.03489	1.3
101.02414	1.0
107.01391	4.4
110.99226	1.0
113.02483	2.0
132.02223	1.3
135.00783	1.2
143.05090	1.2
151.00381	5.6
159.04494	1.6
163.00351	4.2
164.28462	1.2
178.99902	1.7
183.04517	1.5
185.06079	1.6
187.04015	3.0
199.04054	1.6
201.05721	1.4
211.04001	3.1
213.05574	3.3
227.03497	33.1
228.03877	3.8
229.05058	12.1
239.03471	1.4
240.04214	1.5
241.04973	1.6
255.02985	57.1
256.03549	7.1
257.04526	10.6
267.02969	1.5
283.02496	2.3
284.03271	68.5
285.04034	100.0
286.04413	9.0
454.62366	1.3
490.55460	1.0
540.57147	1.1
654.65735	1.2
771.19928	62.9
772.20184	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	767.492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
60.99307	15.0
65.40414	0.2
68.72097	0.2
70.42887	0.2
71.01385	0.2
71.61478	0.3
87.00879	5.6
88.00399	1.6
88.01227	0.8
88.98809	100.0
89.02445	4.3
89.99145	1.3
91.27850	0.2
118.61996	0.2
155.04173	0.2
193.05066	0.3
466.12964	0.2
593.18170	0.2
624.20355	0.2
677.49524	1.2
678.49402	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.8
59.01379	4.3
59.36899	0.9
67.20516	0.7
70.43560	2.2
70.43893	1.0
71.01389	5.0
75.00889	1.1
82.89461	0.8
85.02961	7.3
87.00895	2.1
88.98808	6.6
89.02431	1.2
95.01400	1.9
95.62446	0.8
98.20486	1.2
99.00882	3.4
103.00346	1.0
107.01401	2.4
113.02456	11.2
116.92862	2.5
117.01959	1.7
151.00331	2.0
163.00409	1.1
175.02547	4.7
175.03793	0.8
178.99805	1.7
195.17856	0.9
211.03999	2.0
222.09857	0.8
227.03503	39.5
228.03928	2.7
229.05119	1.4
239.03377	1.8
255.02980	65.3
256.03503	8.4
257.04578	1.8
283.02383	1.8
284.03256	100.0
285.03842	21.2
286.04288	1.0
312.04205	1.0
327.05249	1.0
423.88391	0.9
429.08313	1.1
468.71509	0.8
593.15070	80.6
594.15430	14.5
599.61798	0.9
769.18250	14.2
770.18701	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	769.204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04732	0.3
59.01397	1.5
60.99309	16.4
68.31988	0.4
71.01382	1.4
71.37355	0.7
83.56438	0.3
84.20773	0.3
85.02958	0.7
87.00876	1.0
88.98808	100.0
89.02463	1.0
89.99140	1.0
100.87766	0.4
101.02422	0.7
113.02485	0.9
132.02156	0.9
133.02507	0.4
134.03722	1.2
160.01671	4.2
161.01990	1.6
161.04626	0.4
175.02516	0.8
175.03981	5.7
176.04355	1.2
177.04515	0.5
179.05614	1.3
193.05084	1.2
202.61676	0.4
227.03549	0.5
235.06137	0.5
284.03424	0.4
355.10052	0.5
397.11386	1.6
398.11945	0.4
399.11850	0.6
479.23779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
60.99311	17.8
61.65697	0.3
69.32946	0.3
71.00288	0.3
71.01383	0.8
75.00867	0.3
85.02959	0.5
87.00897	0.4
88.98812	100.0
89.02440	0.7
89.99150	1.4
90.27796	0.3
95.01369	0.3
113.02439	0.6
132.02184	0.6
134.03757	0.6
142.03560	0.3
160.01631	2.4
161.02042	0.4
161.04459	0.3
175.04027	3.2
176.04364	0.6
177.04390	0.4
179.05591	0.9
193.05125	0.9
227.03442	0.9
235.06050	0.8
255.02995	1.1
256.03363	0.4
284.03381	1.7
285.03894	0.6
321.91345	0.3
357.11118	0.4
397.11310	1.2
398.11874	0.4
479.73303	0.3
593.15393	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	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
60.99309	17.7
61.55045	0.2
61.98832	0.5
68.93094	0.2
70.17878	0.6
70.18293	0.5
87.00877	4.8
88.00398	3.2
88.01221	0.7
88.98809	100.0
89.02444	10.8
89.99133	0.9
90.02789	0.4
101.02460	0.3
113.86133	0.2
193.59119	0.2
206.04680	0.2
222.32045	0.2
277.21729	0.6
309.38272	0.2
366.03989	0.2
379.66907	0.2
397.13425	1.1
415.14349	0.5
583.26538	0.2
666.42706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.4
61.67547	0.6
69.87099	3.6
71.01382	17.3
71.89526	0.6
72.99331	0.6
73.02950	2.4
83.01402	1.4
85.02943	4.0
87.00866	8.0
87.93619	0.6
89.02445	19.0
93.38561	0.7
95.01401	2.0
96.04616	0.6
97.02946	0.7
98.19874	0.7
99.00882	1.2
99.92569	0.8
101.02451	9.1
103.09187	0.6
113.02457	8.8
116.92867	2.5
117.03491	1.2
119.03495	6.6
125.02440	1.4
131.03511	2.8
132.02165	21.4
133.02632	0.9
134.03741	10.3
140.52505	0.7
143.03497	2.6
145.02861	0.7
149.04478	1.0
149.06091	1.7
160.01656	82.3
161.02020	4.0
161.04538	6.7
175.03999	100.0
176.04367	6.2
178.02776	0.8
179.05595	22.9
191.07117	2.1
192.99640	1.1
193.05037	20.7
194.05444	1.3
207.06662	1.9
217.05048	6.1
218.05478	0.7
221.06659	1.9
235.06114	12.2
236.06516	1.5
247.06088	0.9
259.06174	1.3
263.07712	0.9
265.07117	2.5
284.03226	0.8
295.08221	1.3
305.08804	2.4
323.09961	0.8
337.09158	1.5
355.10309	10.0
356.10590	1.1
390.24182	0.7
397.11368	42.7
398.11780	5.9
439.12354	3.0
457.13528	1.4
536.11511	0.7
661.19910	2.3
679.20850	4.7
709.83020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
60.99306	19.1
61.98827	5.7
66.64748	0.5
71.61304	0.9
74.24087	0.6
74.65572	0.5
80.93997	0.6
82.19020	0.6
87.00882	2.9
88.00413	3.3
88.98808	100.0
89.02444	9.9
89.99129	1.1
104.40163	0.6
163.55139	0.6
167.69829	0.5
216.22237	0.6
397.13217	0.6
494.07758	0.6
598.60339	0.7
787.28278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20132	0.7
57.27192	0.7
59.01387	13.0
61.98843	1.4
64.64335	0.8
70.09691	3.2
71.01385	2.5
76.76259	0.8
89.02441	1.2
101.02483	1.6
113.02438	0.9
114.71116	0.9
183.13911	5.2
193.12361	1.8
196.08458	0.7
211.13390	100.0
212.13730	7.0
235.08194	1.7
253.09331	5.0
277.21713	56.7
278.22137	6.2
429.21289	1.4
447.22379	7.1
448.22543	1.2
546.13898	0.9
562.19836	0.8
662.59436	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.1
61.79598	0.3
69.55998	0.7
69.56391	1.6
71.01385	2.7
73.02958	0.5
78.95889	0.8
79.95743	3.7
81.04699	0.3
82.37330	0.3
85.02955	0.7
87.00845	0.5
89.02444	3.5
95.01410	0.5
96.96014	100.0
101.02426	2.5
105.03455	0.5
113.02442	1.4
117.03472	0.4
119.03504	1.2
128.57831	0.3
131.03441	0.3
132.02177	0.9
133.02957	16.7
134.03310	0.9
135.04547	1.7
135.52385	0.3
143.03554	0.5
161.02448	62.9
162.02766	2.9
179.03468	3.2
179.05614	3.6
183.09686	0.3
203.03511	1.1
221.06732	0.6
341.08713	0.6
383.09805	3.1
443.11932	0.4
448.81543	0.3
647.18433	1.4
665.19391	14.3
666.19330	1.8
787.51373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63260	1.0
55.01889	1.5
57.03448	63.1
58.00594	2.2
59.01380	100.0
61.98830	17.0
65.86253	1.0
69.03443	2.0
71.01386	49.1
71.61284	1.6
72.99293	3.2
73.02946	28.8
75.00884	1.7
81.03456	7.4
83.01389	8.9
85.02957	11.4
87.00861	1.2
89.02445	29.4
95.01395	3.4
97.02948	1.8
99.00883	2.0
99.04522	72.7
100.04875	1.9
101.02446	55.0
102.02711	1.3
113.01687	2.2
113.02449	29.6
119.03500	15.1
123.04504	2.9
125.02447	71.4
126.02757	1.5
131.03522	5.4
132.43233	1.3
143.03496	16.5
144.03802	1.2
149.04541	6.8
155.03481	3.7
161.04553	19.3
168.00633	1.2
175.02399	1.0
175.04047	1.0
177.88899	1.2
179.05602	15.5
193.05132	1.9
197.46077	1.2
203.05617	8.5
221.06625	4.9
221.73683	1.1
224.52727	1.2
255.02782	1.1
263.07605	1.5
285.04037	1.7
285.09000	1.1
300.02789	1.4
308.29092	1.1
515.25079	1.8
575.26978	3.6
719.31262	5.6
731.78479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92919	0.3
59.01385	0.8
60.99307	19.3
61.98829	0.5
70.03156	1.0
71.01397	0.4
81.29740	0.4
87.00881	4.0
88.00394	3.3
88.01226	0.7
88.98807	100.0
89.02442	10.3
89.99142	1.0
154.65819	0.3
166.67505	0.3
277.21667	0.8
367.65790	0.4
397.13367	1.2
520.68256	0.4
695.05170	0.4
738.67303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79848	1.4
55.01865	3.0
57.03442	3.7
58.00581	3.9
59.01381	68.2
61.98521	2.3
61.98830	41.7
69.03434	2.4
71.00988	3.5
71.01383	71.3
71.61053	1.7
71.61436	1.8
72.01703	2.6
72.99300	6.0
73.02953	19.0
75.00875	4.4
75.85098	1.5
78.95901	5.6
83.01395	12.0
85.02954	28.8
87.00883	11.7
89.02442	41.9
95.01379	5.3
97.02931	4.8
99.00871	5.5
99.04495	2.4
99.71052	1.6
101.02441	60.0
103.03997	2.6
111.15843	1.7
113.02448	29.1
115.03997	2.5
119.03503	16.6
121.03064	1.9
125.02473	9.9
127.03973	2.6
128.03499	1.4
131.03522	8.6
134.03749	2.7
137.02406	1.6
143.03526	8.7
143.04440	2.0
145.05046	6.2
149.04451	2.5
150.03137	1.9
159.02934	1.8
161.04553	16.1
162.04854	1.8
163.06091	4.5
165.05487	2.9
177.01833	1.7
179.05598	16.3
193.05168	2.8
205.07143	8.8
211.06163	2.3
221.06587	7.1
222.10724	1.4
244.71423	1.7
301.03308	1.8
306.07718	3.3
367.12381	29.1
368.12665	1.9
372.14307	4.6
435.22305	8.0
451.21872	3.5
493.82895	1.5
524.63812	1.7
528.47394	1.6
579.26550	4.8
597.27545	66.8
598.27966	8.3
598.95996	1.8
759.32825	100.0
760.33026	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	7.0
59.01366	3.1
61.98830	2.8
62.79950	0.7
65.15107	0.7
66.03471	1.5
69.55441	4.4
70.02982	1.1
71.01377	2.3
72.00911	1.1
74.02069	1.1
74.02473	14.3
78.95899	0.8
81.04557	0.9
82.02979	2.6
84.97573	0.7
85.02929	0.7
85.04055	1.1
86.02482	4.6
86.99101	1.9
87.05630	3.6
89.02474	1.1
90.00184	1.5
97.04050	2.1
99.05637	10.7
100.06001	0.9
101.02419	1.1
101.07195	1.6
102.05608	1.2
107.06103	0.9
109.04074	3.0
109.07672	0.7
112.04035	1.3
113.02416	1.5
113.03527	1.0
116.01754	1.0
116.92846	1.9
123.05635	1.6
124.04051	0.7
125.02587	0.8
125.03567	2.6
127.00352	0.7
127.05116	3.8
128.03539	37.8
129.03874	2.2
129.99687	1.0
131.04665	0.9
135.05608	3.6
135.94809	0.7
137.07242	1.0
141.06694	2.9
143.04622	45.9
144.04967	0.9
145.06148	1.6
146.04581	4.2
153.06721	3.6
160.00725	13.9
161.09795	0.7
166.09811	2.4
167.04607	3.9
167.08316	1.9
170.03250	1.1
177.03343	4.0
179.04591	8.9
181.06181	1.4
185.05627	1.5
192.07820	1.1
197.05670	1.6
198.08755	0.9
199.43143	0.7
210.08820	10.0
211.09329	0.6
228.09976	0.8
242.07808	1.1
254.07791	13.8
272.08871	21.0
273.09268	1.4
288.06570	9.1
289.06580	0.7
306.07642	100.0
307.07904	5.9
348.08536	0.8
468.12839	2.7
469.23962	1.1
537.76379	0.8
580.26904	1.6
598.28149	9.9
599.28064	2.7
678.83984	0.9
725.51038	0.8
760.33313	10.0
761.33765	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	759.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
57.03432	4.3
58.00596	2.1
59.01377	69.5
60.71201	1.7
61.98828	54.4
62.26880	1.7
67.54021	1.7
69.03449	2.5
69.35523	4.2
69.35919	15.5
70.09671	1.6
71.01382	70.3
72.99301	4.4
73.02942	21.0
75.00854	3.7
78.95898	3.6
81.03429	3.0
83.01370	7.7
85.02953	29.0
87.00869	12.5
89.01907	3.2
89.02441	42.7
91.38007	2.2
95.01375	6.1
96.96961	2.4
97.02935	8.5
98.20718	2.0
99.00858	5.7
99.04526	2.2
101.02441	60.6
103.04011	4.2
113.02444	25.2
119.03490	20.1
125.02463	10.8
127.03983	3.4
129.01907	2.9
131.03532	10.1
131.04388	2.7
134.03732	3.1
143.03520	10.5
143.04546	3.0
145.05043	6.0
149.04494	2.0
150.03223	2.5
159.02904	2.7
161.02388	2.6
161.04565	16.4
163.04083	1.9
163.06110	6.1
166.65121	2.0
175.03986	2.3
177.05603	2.1
179.05618	12.0
195.06528	1.6
205.07153	7.7
211.06064	2.2
221.06625	6.9
222.07379	1.9
285.04031	3.5
306.07562	3.0
358.25934	2.0
367.12439	23.6
367.20309	2.3
368.12640	2.9
372.14429	5.7
430.52325	2.0
435.22144	8.8
451.21890	3.7
499.67325	2.1
564.82721	2.1
579.26349	3.8
597.27606	64.0
598.28186	10.8
759.32794	100.0
760.33325	24.6
782.32397	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	759.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04257	0.2
56.93481	0.3
58.56419	0.3
59.14783	0.3
61.98822	1.4
63.82866	0.2
69.71812	0.2
73.02940	4.1
78.95918	1.8
79.95741	0.3
99.00848	0.6
99.92578	10.1
100.92593	0.6
114.93407	1.2
116.92858	100.0
117.01933	6.9
117.92872	5.1
137.21039	0.2
152.99561	0.8
180.98392	0.3
195.87598	0.3
474.53818	0.3
677.19714	0.8
759.44318	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	759.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	6.1
59.01361	1.0
60.74246	0.8
61.98820	2.4
69.25840	9.1
71.01383	1.3
72.00884	1.5
74.02471	16.3
78.95876	0.9
82.02970	1.8
85.02921	1.0
86.02469	6.6
86.06095	1.3
86.86289	0.8
86.99098	1.0
87.05628	3.4
90.00180	0.9
97.04086	2.4
99.05632	13.5
100.00420	0.9
101.02500	0.8
101.07224	2.4
102.05592	1.9
104.98416	1.8
107.06143	1.5
109.04089	1.6
111.05609	1.0
112.04041	1.6
114.62907	0.8
116.01755	1.1
116.92828	1.3
125.03551	2.1
127.05110	2.2
128.03539	46.5
128.14725	0.9
129.03867	1.1
135.05637	3.7
137.07152	0.9
141.06668	3.5
143.04620	55.8
144.04968	1.8
145.06177	2.4
146.04584	5.6
151.00177	0.7
153.06694	4.4
160.00729	13.9
164.08379	0.9
166.09810	2.2
167.04596	5.7
167.08205	1.6
170.03302	1.2
171.07648	1.7
177.03426	4.1
179.04634	15.3
180.04976	1.0
181.06142	1.4
184.10805	1.2
185.05655	2.0
192.07826	1.8
197.05658	2.3
210.08836	15.3
210.68739	0.8
211.09300	1.3
242.07753	1.6
254.07799	14.8
272.08868	28.4
273.09225	2.0
288.06613	3.7
306.07645	100.0
307.07935	8.1
312.50595	0.9
346.10712	1.0
378.07904	11.8
380.09720	1.5
412.06757	14.2
413.07114	1.5
416.85730	0.9
604.40253	1.1
630.13831	4.6
651.44177	0.9
741.16644	2.6
742.18231	1.3
759.18225	24.0
760.18427	5.8
762.49353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49497	0.4
58.02975	6.0
59.01382	1.2
61.98825	2.9
64.95258	0.4
66.03490	0.5
69.27811	3.5
70.02988	0.9
71.01385	1.1
72.00915	1.3
74.02475	14.9
75.00800	0.4
81.04585	1.0
82.02987	1.6
84.04553	0.6
85.02935	0.4
86.02473	6.0
86.06136	0.9
86.99105	0.7
87.05649	3.5
88.04063	0.5
89.02422	0.6
90.00189	1.3
96.04559	0.5
97.04095	1.1
99.05639	12.1
100.00415	1.4
100.04093	0.4
101.02439	0.4
101.07187	1.8
102.05602	1.6
104.98356	0.9
107.06173	0.8
109.04045	2.2
109.07760	0.5
111.05635	1.2
112.04041	1.4
113.03590	0.5
113.07260	0.5
116.01819	0.5
123.05658	1.2
125.03573	1.4
126.01997	0.5
127.04261	0.5
127.05146	2.6
128.03542	40.1
129.03908	0.8
129.99683	0.6
131.04622	0.4
135.05643	3.1
136.06053	0.4
137.07222	0.7
141.06697	3.0
143.04623	51.4
144.04961	1.3
145.06160	2.0
146.04591	5.3
153.06703	3.4
155.08253	0.8
160.00734	11.6
165.06879	0.4
166.09889	2.7
167.04613	3.3
167.08258	1.5
169.06168	0.5
170.03317	0.9
171.04134	0.9
171.07765	1.7
175.01839	0.7
177.03400	3.8
179.04610	12.9
181.06158	1.3
184.10899	0.5
185.05666	2.1
192.07773	0.6
197.05676	1.5
198.08730	0.4
199.07233	0.7
203.04950	0.4
210.08833	11.9
211.09143	0.5
213.03307	0.6
228.09911	1.0
231.04507	0.5
242.07866	1.2
249.05507	0.5
254.07825	12.1
255.08334	0.8
272.08871	27.4
273.09235	1.7
288.06570	4.1
304.06104	2.2
306.07645	100.0
307.07925	6.8
338.04828	2.5
346.10773	1.4
360.07190	0.5
378.08014	8.1
379.07709	0.5
380.09598	1.8
412.06741	7.5
413.07214	0.7
528.52393	0.4
630.13843	2.5
631.14410	0.7
741.17450	1.2
742.17816	0.6
747.70032	0.4
759.18237	17.4
760.18384	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	755.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66898	0.8
55.01874	2.0
57.03428	1.0
58.00581	2.3
59.01384	49.1
60.97821	1.0
61.98841	11.6
63.02394	2.3
63.47041	0.9
65.00337	1.7
69.36835	7.9
71.01381	39.8
72.99293	4.7
73.02940	5.8
75.00875	1.4
83.01395	5.9
85.02951	10.3
87.00874	3.8
89.02443	29.1
93.03462	2.9
94.75092	0.9
95.01410	3.8
97.02944	1.6
99.00876	1.4
101.02444	31.2
107.01398	4.6
108.15838	1.1
111.00890	0.9
113.02461	11.7
117.03468	18.9
119.03503	9.2
119.05017	13.9
125.02444	1.3
131.03505	1.4
133.53168	1.1
135.00865	2.1
143.03468	2.3
143.05127	1.3
145.02954	36.1
146.03297	1.8
151.00369	8.0
152.99591	1.0
159.04443	2.5
161.04556	2.1
163.00381	3.5
163.04041	12.0
169.06509	1.1
179.05615	1.7
183.04517	1.7
185.06096	2.6
187.03989	3.2
199.03983	1.1
211.04008	4.1
213.05617	1.9
227.03494	46.5
227.74660	1.0
228.03838	3.4
229.05081	11.8
230.05377	1.4
239.03557	1.8
241.04883	2.3
255.02985	87.8
256.03577	13.6
257.04449	7.8
283.02518	2.3
284.03244	92.6
285.03998	88.5
286.04330	6.0
327.05188	2.1
469.13611	3.9
473.15546	1.3
517.14374	1.5
575.35950	1.9
591.13495	7.6
592.13910	1.5
593.37091	3.5
609.14685	9.5
704.33105	1.1
737.46954	1.1
755.18518	100.0
755.41974	91.1
756.18542	26.7
756.40594	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	755.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
58.00588	2.5
59.01380	57.0
61.98826	12.6
63.02427	1.4
65.00311	1.7
67.12878	1.3
70.36926	3.7
71.01385	42.2
72.99300	5.9
73.02959	5.0
83.01390	4.7
85.02946	11.2
87.00889	4.4
87.42674	1.2
89.02447	29.1
93.03477	1.8
95.01391	4.8
99.00857	1.6
101.02441	28.8
107.01391	5.5
111.00860	2.0
113.02456	12.5
113.37046	1.2
116.71027	1.2
117.03467	18.5
118.81680	1.0
119.02784	1.4
119.03516	9.3
119.05016	13.5
121.02977	1.7
125.02431	1.8
131.03505	2.0
132.02167	1.4
135.00926	2.2
135.04504	1.2
143.03453	1.4
143.22511	1.2
145.02948	42.1
146.03305	1.9
151.00388	7.1
153.01909	1.3
159.04518	1.8
161.04591	2.6
163.00381	2.9
163.03992	9.6
171.04590	1.4
179.05605	2.2
183.04492	1.6
185.06071	2.9
187.03986	4.1
199.04105	1.8
211.03986	4.2
219.06898	1.1
227.03488	49.8
228.03973	4.0
229.05008	12.7
233.94199	1.2
239.03491	2.0
241.04965	1.4
250.80208	1.6
255.02992	83.9
256.03488	13.0
257.04584	8.3
267.11353	1.6
283.02618	2.2
284.03259	94.8
285.04013	100.0
286.04282	8.7
319.14383	1.4
327.04996	1.5
355.26736	1.3
387.68146	1.5
469.13684	5.1
591.13330	7.2
593.37122	1.9
609.14777	9.3
610.15009	1.7
755.18433	97.7
755.41949	77.5
756.18561	28.4
756.41370	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	755.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
60.99311	12.2
70.89662	1.4
71.01385	4.4
72.99313	0.5
73.02947	1.0
85.02941	1.1
87.00886	1.1
88.98809	60.2
89.02458	4.8
89.10165	0.4
89.99192	0.6
101.02444	2.4
113.02445	2.1
115.26923	0.4
119.03510	1.3
125.02369	0.5
131.03493	1.1
131.76942	0.5
132.02153	1.1
133.02962	24.7
134.03336	1.0
135.04558	2.9
161.02448	100.0
162.02792	6.0
179.03522	5.8
179.05623	6.6
203.03513	2.2
205.12984	0.5
221.06686	0.7
222.05103	0.4
242.20270	0.5
323.07843	1.3
341.08728	1.0
379.64392	0.5
383.09818	4.4
388.06583	0.5
443.12134	0.9
647.18677	2.4
665.19354	20.4
666.19714	4.6
667.20093	0.6
751.55255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82064	0.1
58.00577	0.2
59.01381	1.1
59.79539	0.2
61.98836	0.8
69.64799	1.0
71.01377	1.1
72.99307	3.0
73.02953	0.2
75.00875	100.0
75.24709	0.2
76.01206	0.9
85.02966	0.2
87.00877	0.2
89.02449	1.1
97.02897	0.2
101.02445	0.9
113.02441	0.4
119.03511	0.4
125.02458	0.5
143.03590	0.2
161.04584	0.3
179.05695	0.3
183.20479	0.2
194.15364	0.2
201.96854	0.1
235.08296	0.5
253.09308	0.2
277.21707	3.2
278.22131	0.3
306.03500	0.2
346.91370	0.2
397.13495	5.8
398.13654	0.8
415.14456	2.1
586.00928	0.2
675.37183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13806	0.2
59.01392	1.4
60.50354	0.2
61.98822	0.9
71.01376	1.1
72.99305	2.4
73.02940	0.4
75.00873	100.0
76.01216	1.1
79.34373	0.2
81.03480	0.3
83.01398	0.3
84.13461	0.2
85.02909	0.3
89.02460	1.3
95.14842	0.2
97.02991	0.2
98.19878	0.4
101.02447	1.0
108.48637	0.2
113.02434	0.5
119.03456	0.4
125.02373	0.3
130.88809	0.3
137.38173	0.2
148.70952	0.2
179.05609	0.4
192.75130	0.2
223.13397	0.3
235.08217	0.5
277.21729	3.4
278.22314	0.3
287.07806	0.4
305.08777	0.2
306.75046	0.3
322.85165	0.2
397.13516	7.0
398.13760	0.7
415.14542	2.1
416.15009	0.5
600.05322	0.2
637.37823	0.3
637.48285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35193	0.9
59.01370	2.8
59.78035	1.0
68.63136	1.0
71.01382	4.0
71.60677	1.5
72.99309	2.4
73.01161	1.8
79.95743	5.0
80.96545	1.1
87.00887	1.1
89.02429	2.1
96.96014	17.1
98.95602	11.5
98.96241	1.5
99.00856	1.4
99.86653	1.1
99.92589	41.7
99.93243	2.2
100.92616	2.1
100.93347	2.6
101.02465	2.3
113.02405	1.9
115.92084	69.0
116.92863	100.0
117.92912	5.5
119.03460	1.1
121.02963	2.4
126.05643	1.0
142.94456	7.3
143.94252	1.0
151.00267	1.4
152.04768	1.3
152.96858	2.4
158.93866	1.4
160.01515	1.3
161.04544	0.9
170.93953	4.8
175.03928	1.2
184.95456	3.9
186.93369	2.9
198.93462	1.6
209.04541	1.8
212.94966	4.5
230.95955	4.5
242.98409	1.3
243.17355	1.4
255.02937	1.3
256.93973	10.9
257.94543	1.4
274.95026	14.5
275.95206	1.4
284.03214	1.4
285.04102	1.6
314.04251	3.7
315.05057	1.2
396.96317	2.1
447.09073	1.3
477.10513	1.2
531.28088	7.8
543.02039	1.1
753.05890	13.1
754.06726	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	743.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88049	0.3
60.99308	17.5
61.98830	1.8
62.39562	0.4
69.73357	0.8
69.73771	1.3
87.00880	3.6
88.00396	4.3
88.00925	0.4
88.01193	0.6
88.98808	100.0
89.02447	13.5
89.99145	1.0
90.02807	0.4
98.20571	0.4
114.94897	0.5
119.03333	0.4
148.91031	0.6
157.88129	0.4
182.11256	0.3
211.11581	0.4
240.53906	0.4
255.23283	0.8
352.14545	0.3
397.13458	1.1
743.27667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93685	0.2
57.76939	0.2
59.01374	0.7
61.98832	100.0
66.44824	0.2
71.01402	0.9
71.61430	0.3
75.00877	0.3
83.01370	0.2
87.00901	0.3
88.98810	0.3
89.01351	0.2
89.02457	0.5
101.02462	0.5
113.02471	0.5
133.02924	0.2
164.07190	0.2
165.05640	0.3
175.04021	0.6
184.20447	0.2
191.83540	0.2
193.05043	0.3
223.06078	0.2
254.07452	0.3
372.47412	0.2
681.37421	0.4
744.38092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01379	1.9
61.98834	100.0
62.98535	0.2
69.54092	1.1
71.01395	2.1
72.99306	0.3
73.02970	0.3
81.92941	0.2
83.87460	0.2
84.80148	0.2
85.02975	0.5
86.03250	0.2
87.00903	0.2
88.40399	0.2
89.02448	1.5
95.01373	0.2
95.64655	0.2
99.00864	0.2
101.02454	1.6
112.98772	0.2
113.02428	0.8
116.92899	0.2
119.03525	0.6
129.41844	0.2
131.03584	0.2
135.04526	0.5
143.03513	0.2
149.04576	0.4
150.03232	0.4
161.04562	0.3
162.03232	0.2
165.05525	0.5
179.03563	0.6
179.05673	0.3
186.25793	0.2
193.05121	0.3
255.57805	0.2
284.03394	0.2
300.02771	0.3
301.03494	0.3
665.78467	0.2
683.39026	0.7
746.38708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	4.2
66.35078	1.7
68.70791	1.7
71.10388	3.7
78.95458	3.7
78.95904	48.2
95.20652	1.6
98.39977	1.7
98.57593	1.6
122.00154	3.6
128.09543	1.8
140.01202	14.6
152.99582	6.0
167.14435	4.2
196.03862	9.9
223.20558	2.6
249.18613	9.9
255.23314	33.7
256.23611	4.3
267.19650	90.1
268.20004	7.6
275.16467	10.1
293.17581	46.7
294.17859	2.8
298.28546	1.9
311.18640	38.9
312.18985	4.3
429.16391	1.9
452.28146	4.2
490.22186	6.6
746.46130	100.0
747.46271	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79089	2.5
59.01382	22.2
61.98810	3.4
68.32138	2.9
71.01384	19.2
71.23653	3.8
71.24009	2.9
89.02438	19.2
101.02435	16.8
113.02450	13.0
119.03520	15.2
129.38051	2.8
135.33356	2.8
138.68523	2.6
143.03503	2.8
149.01862	2.8
154.60558	2.6
167.55190	3.3
179.05635	10.3
225.22202	6.5
486.64355	3.1
532.47229	19.9
533.48041	4.6
550.49023	7.3
712.53662	100.0
713.53906	31.0
748.51544	24.8
749.52246	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	748.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99488	2.3
59.01376	25.3
61.98822	2.5
70.11649	8.9
70.56851	2.1
71.01378	22.1
81.58364	2.5
87.00905	3.0
89.02448	25.6
94.84034	2.0
97.14632	2.3
101.02457	13.2
113.02442	8.5
119.03500	14.7
161.04492	2.6
175.22734	2.2
179.05588	9.9
223.07011	2.5
225.22171	4.5
271.22733	4.0
278.24872	5.2
296.26093	2.7
331.20734	2.3
393.08011	2.4
476.87564	2.3
532.47247	18.1
533.47644	5.0
550.47992	10.2
551.48218	2.4
619.84644	2.3
712.53662	100.0
713.53918	29.4
748.51324	21.4
749.51563	6.7
762.01648	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	750.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35919	0.5
59.01394	0.6
60.12235	0.5
61.98830	100.0
71.27781	1.0
82.09142	0.5
123.97031	0.5
173.46512	0.5
211.13417	0.5
217.13910	0.6
227.63660	0.5
262.95773	0.5
368.90933	0.6
380.00195	0.5
406.01340	0.6
687.50934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03449	0.7
59.01382	100.0
60.01724	1.4
61.98830	0.8
69.52377	1.1
69.52805	1.6
71.01387	15.3
72.99323	1.3
73.02954	3.9
83.01397	1.4
85.02960	6.5
87.00899	1.2
89.02438	2.2
95.01391	1.0
98.19901	0.9
99.00889	1.6
101.02450	8.7
101.03085	0.6
101.58166	0.4
113.02444	5.5
115.00383	8.8
119.03516	0.7
133.01436	19.2
134.01816	0.6
143.03532	0.8
147.64757	0.4
149.02440	0.6
150.03239	0.7
154.36488	0.4
159.02985	1.2
161.04585	5.2
179.05649	0.5
191.36443	0.4
192.04367	0.8
193.05070	0.5
197.15457	0.7
207.13841	0.5
208.03928	0.5
213.09271	0.8
222.64612	0.4
223.06319	0.6
225.14972	7.4
225.17065	0.6
226.15236	0.5
237.14806	0.4
255.03021	0.7
269.10312	12.7
270.10709	0.9
284.03439	1.4
285.03983	0.8
311.11365	8.7
312.11826	0.8
355.10471	0.7
387.20270	4.5
388.20663	0.8
401.18253	1.0
419.13525	1.4
609.14648	1.7
610.15833	0.5
729.82294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31666	0.4
55.14873	0.4
56.49160	0.3
60.99306	17.0
61.98829	9.2
87.00874	2.4
88.00390	2.7
88.98805	100.0
89.02440	10.1
89.99119	0.8
117.78485	0.4
122.89462	0.5
142.26265	0.4
148.80980	0.4
152.02791	0.4
183.01254	0.9
209.11823	0.6
255.23152	0.5
311.16946	2.8
397.13596	0.9
743.27271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64990	0.2
57.74987	0.2
59.01380	1.5
61.98836	100.0
62.98546	0.3
69.67941	1.1
71.01389	2.1
73.02955	0.5
81.32651	0.2
83.01409	0.3
85.02967	0.7
87.00883	0.4
88.98826	0.3
89.02456	1.4
89.04048	0.2
97.02969	0.5
98.20643	0.2
99.48826	0.2
101.02454	1.8
113.02473	1.0
119.03542	0.6
127.68010	0.2
131.03519	0.3
132.02197	1.8
134.03741	1.4
143.03528	0.5
160.01665	8.0
161.02071	0.6
161.04555	1.6
175.04018	13.7
176.04434	0.7
178.02736	0.2
179.05630	1.7
191.07123	0.3
193.05075	3.1
194.05293	0.2
217.05058	1.3
221.06734	0.5
235.06117	1.5
243.03011	1.0
244.93326	0.2
257.04657	0.2
263.07822	0.3
270.02078	0.2
271.02512	0.8
280.34369	0.2
285.04160	0.5
286.04498	0.2
300.02890	0.2
314.04401	1.6
314.07587	0.3
315.05121	0.3
319.08243	0.3
334.26422	0.2
337.09427	0.3
341.10950	0.5
355.10513	0.3
383.11905	0.2
401.12469	0.3
457.13684	0.4
477.10437	4.4
499.14969	0.5
517.15790	1.4
519.11151	0.2
559.16681	4.7
560.17273	0.9
653.14233	0.7
679.20929	5.8
680.21130	1.3
681.63831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.98832	100.0
71.01390	1.0
78.97063	0.3
80.51092	0.3
84.96627	0.3
85.02939	0.4
85.60189	0.3
89.02464	1.5
98.19855	0.9
99.16505	0.3
101.02438	0.5
113.02473	0.8
118.60632	0.4
132.02179	0.8
134.03749	0.5
160.01643	3.9
161.02092	0.4
161.04584	0.6
169.67978	0.4
175.03979	7.4
176.04366	0.7
179.05608	2.1
184.18291	0.3
193.05042	2.0
217.05048	0.7
221.06696	0.5
235.06189	1.2
245.63475	0.4
337.09323	0.4
355.10403	0.8
397.11301	3.9
397.15207	0.3
398.11456	0.5
427.20084	0.4
661.20105	0.6
679.21155	1.1
714.09253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82217	1.1
57.73676	1.1
59.01373	3.1
61.98825	13.3
71.01371	3.7
71.32348	2.2
72.99286	1.2
79.46693	1.0
79.92514	1.0
89.02447	1.4
96.95995	1.9
101.02507	1.0
116.92862	1.7
121.02962	2.6
123.00861	3.3
123.04521	2.4
124.01657	4.2
125.02480	1.1
137.75623	1.1
138.03207	3.9
139.03975	3.0
145.02972	2.8
153.05545	2.1
159.04494	1.3
173.02435	2.7
174.03232	17.2
175.03976	8.0
178.05063	2.0
187.03958	1.2
188.04745	4.2
188.06264	1.2
189.05577	33.6
190.05861	2.5
200.03502	2.2
201.04260	4.5
202.05048	1.9
214.05161	1.4
217.03766	1.4
218.04623	2.4
219.35837	1.1
229.03841	5.4
230.04590	21.2
231.05124	2.8
232.06023	1.5
244.06128	12.2
253.04956	1.4
283.05923	1.2
288.66379	1.3
295.06146	1.2
297.03952	3.8
311.05569	3.1
312.06302	4.2
324.08801	1.4
326.07889	5.7
327.08679	9.3
338.10278	7.3
341.10300	8.9
342.10767	2.5
350.10413	1.4
352.08209	2.8
366.05664	2.0
366.09845	20.4
367.10483	25.0
368.10840	4.3
380.11426	1.8
381.12146	13.5
382.12976	35.5
383.13269	4.1
393.08484	1.7
396.14468	4.7
504.12613	2.2
519.15350	7.3
520.15778	3.6
534.17511	10.5
535.18335	4.1
550.20801	48.1
551.21057	8.2
589.21899	1.8
659.01971	1.4
743.28180	100.0
744.28571	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	741.4067
Annotation	Pentandroside C
Peak:m/z	Relative Intensity
55.01875	1.5
56.84154	0.4
57.03450	1.3
58.00593	0.9
59.01382	17.8
60.61762	0.4
61.98831	100.0
62.98524	0.6
71.01382	15.2
72.99324	1.9
73.02940	3.8
74.66616	0.4
75.00867	0.4
78.95908	1.0
83.01386	2.8
85.02960	7.4
87.00895	1.9
89.02441	6.1
95.01413	1.4
97.02937	0.5
99.00888	1.8
101.02446	12.4
105.70586	0.5
109.02965	0.7
109.40261	0.4
111.00890	2.0
113.02451	5.5
116.92850	0.5
119.03490	0.9
121.02988	0.8
122.03758	1.4
123.04545	1.3
125.02437	0.7
129.01961	0.5
131.03528	1.3
133.22847	0.4
137.02441	0.5
149.02446	1.4
159.03003	0.9
160.01642	0.5
161.04530	0.9
167.03499	0.6
175.04001	0.5
179.05685	0.5
205.12320	0.5
266.65216	0.4
285.04114	0.5
403.28574	1.9
429.30200	1.0
447.31250	5.1
448.31348	0.7
579.20935	1.0
579.34906	0.6
609.36157	4.1
610.36438	0.6
741.40613	59.2
742.40839	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	741.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.9
61.98834	18.6
71.01388	25.7
73.02967	3.2
73.15897	2.1
78.95902	21.7
79.29495	2.1
83.01401	3.1
85.02940	5.1
87.00890	5.9
87.19176	2.0
87.48310	2.5
89.02455	23.5
97.02958	5.9
99.48709	2.1
101.02436	19.4
113.02457	7.6
119.03535	6.9
125.02430	8.1
143.03496	4.1
152.99579	18.5
179.05701	4.2
218.89780	2.2
235.08195	8.3
245.06778	2.1
253.09270	3.5
253.21696	8.0
255.01529	2.2
255.23260	2.7
277.21652	27.6
278.22098	3.6
283.26431	74.9
284.26709	10.0
305.08838	3.3
397.08304	5.2
397.13504	100.0
398.13684	10.5
410.59180	2.2
415.14609	32.1
466.02383	2.2
480.38318	2.3
505.25751	36.2
506.26212	3.8
681.40656	4.1
741.46094	11.6
742.48029	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	741.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69930	0.5
57.15981	0.5
59.01375	6.4
61.98833	2.1
64.85556	0.5
70.05303	1.1
70.05723	1.7
70.27287	0.5
78.95902	36.1
96.96964	3.5
98.19974	0.5
141.01672	3.2
148.66530	0.5
150.89484	0.5
150.98055	0.6
152.99585	45.3
153.99947	1.0
171.00629	4.4
227.03262	5.7
232.97539	2.4
245.04199	1.3
253.21716	29.9
254.22050	2.0
255.23283	2.7
256.23331	0.5
277.21707	81.5
278.22061	8.0
280.23605	0.9
281.23978	0.5
298.11844	0.6
314.98019	0.7
358.41275	0.5
396.98477	0.6
413.20969	2.6
463.24713	1.1
483.27213	2.3
487.24713	2.1
505.25708	100.0
506.26001	13.9
559.15564	0.6
741.47131	24.7
742.47595	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	742.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98831	100.0
62.98524	0.3
71.01396	0.4
75.70587	0.2
86.37297	0.2
89.02467	0.7
94.41173	0.3
113.02496	0.4
132.02211	0.4
134.03770	0.5
138.23911	0.2
160.01656	2.5
161.02147	0.3
175.04007	3.4
176.04376	0.5
178.32260	0.2
179.05630	1.5
179.87047	0.2
193.05151	0.7
200.64063	0.2
208.68863	0.3
235.06181	0.5
355.10541	0.5
397.11249	1.9
503.81274	0.3
679.21411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.3
57.03439	7.5
58.00591	3.5
59.01381	68.3
61.98830	4.3
69.03459	3.8
69.59803	7.6
69.60239	5.1
69.70032	1.5
71.01384	100.0
72.01711	2.4
72.99300	6.6
73.02953	17.7
75.00853	1.9
76.45869	1.6
81.03474	2.0
83.01392	12.9
84.02183	2.3
85.02954	53.3
86.03284	1.9
87.00887	15.2
89.02449	47.6
93.03468	2.8
95.01373	9.1
97.02953	10.9
98.19815	1.6
99.00891	28.8
101.02444	66.2
102.02742	2.3
109.02940	7.1
111.00874	4.2
113.01685	3.8
113.02452	59.2
115.00298	1.8
119.03507	25.3
121.02944	2.4
122.03736	11.0
123.00874	2.2
123.04531	11.4
125.02453	17.3
127.69473	1.6
131.03499	6.2
134.03735	2.9
137.02487	10.5
141.01849	1.9
143.03502	27.1
149.02414	17.1
149.04504	4.0
149.05965	2.5
151.00369	12.1
155.03499	2.1
159.02953	4.0
161.04550	62.0
162.04897	2.3
166.02724	34.3
167.03346	4.4
179.05617	18.3
181.05086	27.6
193.05135	2.4
203.05579	7.0
207.10295	2.6
221.06644	25.0
222.11348	1.6
235.08307	1.9
245.06683	20.7
263.07791	16.4
267.08719	3.3
305.08652	2.7
323.09836	81.6
324.10043	5.5
359.10834	1.7
387.10944	4.3
402.13190	2.3
417.15512	16.2
418.15555	2.2
452.01019	2.0
535.21295	2.3
554.03387	2.0
561.19873	3.0
579.20715	8.3
647.67450	1.9
663.53009	1.7
741.26105	5.7
742.26703	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	740.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65971	0.1
61.98830	100.0
62.98535	0.2
98.19823	0.2
140.13841	0.1
175.69823	0.1
177.35071	0.1
229.14801	0.1
323.69681	0.1
679.50775	0.1
680.50360	0.6
740.49170	1.3
741.50037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14484	0.3
52.17467	0.3
58.61814	0.4
59.01369	1.1
59.93368	0.3
61.98829	3.6
67.36317	0.3
71.53208	0.6
77.03970	3.2
78.95905	1.3
93.03440	0.5
121.02957	100.0
122.03288	3.6
137.02434	0.6
152.99594	1.4
162.66539	0.3
165.01927	77.6
166.02260	3.6
167.43300	0.3
168.49825	0.3
180.05806	0.5
181.06583	2.3
191.03464	1.8
197.06075	0.6
197.11876	0.4
209.11867	0.4
211.13399	0.7
213.14961	0.6
225.05528	1.2
253.09306	0.4
253.21672	0.9
277.21780	2.3
313.07050	2.3
315.26520	0.3
354.68985	0.3
357.01694	0.5
357.06131	9.6
358.06613	1.5
505.25763	3.5
549.10394	0.5
622.10736	0.4
685.12854	0.3
741.14740	4.5
741.47205	1.1
742.14282	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	741.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.8
57.03442	3.9
58.00595	2.1
59.01091	2.6
59.01381	41.7
61.98832	100.0
62.56938	1.3
68.74135	1.0
69.03471	2.9
69.29989	11.9
71.01383	97.1
71.64831	1.2
72.01743	1.1
72.99306	10.3
73.02945	14.2
75.00876	3.5
78.06273	1.1
81.03460	2.6
83.01393	8.9
85.02953	35.4
87.00869	12.5
87.46360	1.2
89.02443	34.2
95.01392	6.2
96.95992	1.8
97.02979	8.0
98.19870	1.8
98.92657	1.1
99.00887	18.8
99.04543	1.8
101.02444	50.9
111.00881	5.0
113.02449	35.1
114.02866	1.7
115.00367	8.5
115.03947	1.2
119.03513	14.4
121.02943	2.2
125.02435	16.3
131.03508	7.0
132.02231	1.5
134.03752	1.5
135.04529	2.1
137.06090	11.3
141.01941	1.5
143.03506	21.0
145.05028	1.9
149.04552	2.8
155.03455	1.6
159.03014	4.5
160.01666	2.4
161.04573	38.9
162.04889	1.4
167.03549	3.9
174.01648	1.6
175.03973	2.1
179.05608	15.6
181.05060	7.2
185.04575	1.3
199.01224	1.1
203.05583	3.5
221.06660	29.7
222.07030	1.7
235.08115	1.4
245.06665	22.6
255.02995	1.3
263.04907	1.5
263.07700	26.0
264.07999	3.2
287.07831	3.2
301.10773	3.9
305.08826	7.7
323.09824	65.9
324.10178	4.1
432.26340	1.4
463.15988	2.2
625.21301	25.7
626.21686	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	739.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34243	2.8
59.01385	40.8
61.98835	13.7
68.96516	2.8
70.21552	3.5
71.01388	32.9
72.99319	3.8
73.02943	5.9
73.55793	2.8
78.95891	3.4
83.01368	5.1
85.02949	8.0
87.00887	4.9
89.02451	26.6
97.02965	4.8
101.02442	29.8
113.02457	14.3
119.03526	6.2
125.02444	11.8
143.03471	3.7
152.15010	3.7
152.99617	4.6
161.04559	5.3
170.88968	3.0
171.10287	7.1
179.05560	7.7
225.11246	4.3
235.08218	16.1
253.09233	4.6
261.64478	3.3
277.21671	13.6
279.23315	12.2
280.23352	4.1
281.24850	89.0
282.25156	12.0
293.21155	4.4
368.37640	3.4
397.13492	100.0
398.13773	8.8
415.14618	38.0
428.11740	4.0
732.85815	3.7
739.41290	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	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
61.98831	100.0
62.98564	0.2
68.40658	0.2
70.99714	0.4
74.06687	0.2
78.95937	0.3
81.32153	0.2
87.37673	0.2
117.78619	0.2
143.73056	0.2
148.94296	0.2
152.99614	0.3
157.42560	0.2
211.13463	0.3
277.21811	0.6
279.23431	0.3
280.23718	0.3
398.14343	0.2
399.13858	0.2
400.14188	0.2
443.62518	0.2
445.25076	0.2
505.25687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98830	100.0
62.98524	0.1
71.01383	0.1
74.07011	0.1
78.95935	0.1
89.02472	0.1
90.24274	0.1
116.92841	0.1
152.99609	0.1
159.47208	0.1
167.19745	0.1
185.66370	0.1
197.11932	0.1
203.05124	0.1
205.64403	0.1
211.13313	0.3
212.13795	0.1
227.97469	0.1
277.21722	0.2
279.23358	0.2
280.23648	0.2
281.24155	0.1
310.21109	0.1
352.76694	0.1
398.13889	0.1
399.14163	0.1
505.25778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79101	0.1
59.01383	0.2
61.98831	100.0
62.98522	0.2
62.99254	0.1
71.01386	0.2
77.73946	0.1
84.76906	0.1
89.02446	0.1
170.75810	0.1
224.35719	0.1
275.64850	0.1
277.21921	0.1
278.22144	0.2
279.23175	0.2
282.83487	0.1
293.21365	0.1
397.13501	0.1
398.13858	0.2
398.88196	0.1
399.14203	0.2
400.14453	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74120	0.3
59.76542	0.2
61.98829	100.0
71.37799	0.4
89.02454	0.3
99.88687	0.2
128.66551	0.2
135.53571	0.3
174.08621	0.3
333.79425	0.2
398.13150	0.3
445.04306	0.3
499.43259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5076
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
53.77726	0.4
59.01379	3.1
61.32445	0.3
61.50430	0.3
61.98836	0.8
69.71627	0.4
70.83257	1.1
76.67156	0.4
78.95905	14.1
80.00482	0.3
83.05003	0.4
96.96980	1.3
107.65291	0.4
122.97632	0.5
141.01736	1.8
152.99586	13.0
168.74127	0.4
169.49586	0.4
171.00610	0.7
189.89043	0.4
261.22333	0.6
277.21600	0.7
279.23279	100.0
280.23630	11.1
306.64471	0.4
324.13690	0.4
403.74234	0.4
422.37698	0.5
458.26987	2.1
476.27805	1.6
678.50458	0.9
738.50800	29.8
739.51276	7.8
745.36322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79870	0.8
59.01376	4.7
64.29024	0.9
71.01387	7.0
75.00883	2.4
83.01424	1.2
84.24158	0.8
85.02958	8.1
87.00865	1.7
89.02438	2.2
95.01374	2.0
98.49519	0.9
99.00895	2.3
101.02422	0.8
103.00404	1.2
105.86090	1.1
113.02451	13.5
115.00398	1.1
117.01952	1.5
125.02475	1.4
137.03059	1.2
141.14236	1.0
145.02943	2.5
151.00385	3.0
152.05396	11.6
153.05742	2.3
175.02483	2.9
196.96548	0.9
199.04005	2.1
215.03474	1.6
227.03517	2.9
241.08759	1.3
242.02225	4.2
243.02960	25.8
244.03336	2.1
255.03014	2.9
257.04605	6.9
270.01675	7.3
271.02460	24.5
271.09766	2.6
272.02853	2.3
284.03232	3.6
285.04047	18.3
286.04770	4.6
299.02017	6.8
300.02774	5.5
314.04306	37.5
315.04965	14.2
473.11533	1.1
519.11401	100.0
520.11774	14.6
561.12122	1.7
695.14526	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	731.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.3
60.99312	17.7
61.98833	11.8
65.61768	1.3
67.52835	1.1
71.51344	1.3
71.51720	1.5
87.00880	12.9
88.00404	2.3
88.98809	100.0
89.01910	1.6
89.02441	25.7
98.25708	1.1
116.92860	1.5
124.31416	1.4
247.31311	1.4
467.13480	3.9
481.15192	16.0
482.15805	8.4
497.18161	3.4
514.14868	7.4
540.16663	4.2
555.10193	2.2
555.18878	39.4
556.19208	10.5
572.15674	7.4
573.15576	1.8
641.22638	2.7
659.23572	23.4
660.24243	7.6
731.25916	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	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93706	1.7
55.85165	1.5
59.01369	9.4
60.48979	1.7
61.98834	8.6
69.03442	4.5
70.06032	7.5
71.00969	1.4
71.01369	6.7
71.04991	2.0
76.66676	1.8
78.12478	1.6
78.95889	2.4
85.71073	1.7
89.02409	2.7
98.20589	2.0
101.02445	4.5
113.02443	1.8
146.96640	2.2
151.11273	2.6
152.99570	2.4
161.09721	5.3
176.06636	1.7
179.10753	6.6
197.11826	43.9
223.09717	1.9
227.43886	2.1
234.66124	1.8
235.08365	2.2
241.10858	3.1
253.09259	2.5
277.18820	3.5
277.21735	52.3
278.22021	7.9
291.19485	2.4
405.04565	1.9
641.11908	2.1
737.41144	100.0
738.41644	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	737.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56643	0.7
54.10947	0.5
59.01380	13.1
64.77888	0.6
69.41063	4.8
81.03460	4.8
83.05026	12.5
98.20641	1.5
111.34694	0.6
115.47458	0.6
125.07160	0.7
152.21643	0.6
207.15042	0.7
209.43361	0.6
224.17635	2.7
225.16084	12.2
226.16409	1.2
299.51151	0.8
309.21729	1.4
324.26331	0.8
331.21118	0.6
341.29056	1.1
367.26947	1.0
385.27890	0.8
450.34448	0.8
451.32874	6.8
550.43353	1.1
659.48450	1.7
677.49670	100.0
678.49994	31.5
711.13660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.4
61.98835	8.4
63.78227	0.5
70.39468	0.4
71.01395	4.6
71.14915	0.9
73.02952	1.2
82.04119	0.4
83.01395	0.4
85.02964	1.5
87.00870	0.7
89.02453	6.7
101.02448	3.1
107.09825	0.4
113.01794	0.4
113.02460	2.4
117.03477	0.6
119.03493	2.0
131.03485	1.0
131.63713	0.4
132.02164	1.9
133.02963	29.6
134.03337	1.6
135.04523	3.6
161.02451	100.0
162.02789	5.9
175.04041	0.4
178.44203	0.4
179.03522	4.7
179.05609	6.0
197.04198	0.4
203.03481	1.5
215.81339	0.4
217.85977	0.4
221.06740	0.6
237.36903	0.4
305.08716	0.5
313.04852	0.5
323.07794	0.9
341.08676	1.0
383.09796	4.4
440.11993	0.4
443.11847	0.7
586.84393	0.4
647.18481	1.8
665.19397	19.2
665.30988	1.0
666.19867	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	729.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11369	1.4
61.98834	12.4
67.57871	1.5
71.01392	1.8
71.60835	2.5
72.99309	2.4
75.00875	100.0
75.67027	1.3
79.95731	1.3
85.02931	1.4
96.95963	2.0
116.92838	1.7
144.41513	1.6
255.23341	2.8
336.67026	1.3
397.13498	5.1
415.14658	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	730.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98833	100.0
70.63438	1.2
80.96540	0.5
82.49843	0.4
103.81330	0.4
147.42944	0.4
155.09897	0.3
171.10344	0.7
235.29179	0.5
277.21866	0.5
278.22086	0.6
316.46121	0.4
731.37061	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98831	100.0
62.98562	0.3
68.01060	0.3
68.45846	0.3
69.43034	2.8
80.96518	0.5
89.14561	0.3
89.27284	0.3
114.72312	0.3
127.46266	0.3
142.31451	0.3
152.99567	0.3
171.10286	0.7
172.10667	0.5
360.39047	0.3
436.23166	0.3
731.37219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58735	0.4
56.60808	0.4
59.01392	0.6
64.95244	4.1
69.35861	1.5
69.36286	2.5
71.01388	0.8
72.90416	0.4
74.75967	0.4
79.93953	1.0
79.95737	42.4
80.94728	0.8
80.96514	11.1
80.96988	0.7
95.93446	0.6
96.96059	0.4
112.93733	100.0
113.02441	0.8
113.93655	0.6
127.02252	0.6
129.03806	10.6
143.90150	21.1
143.91295	1.0
144.90935	10.5
161.00995	1.7
192.12004	0.4
193.05089	0.8
194.99756	1.2
274.95453	68.6
275.95673	3.5
283.10663	0.6
347.36362	0.5
394.04169	0.5
451.32764	0.5
452.96930	0.5
651.72717	0.5
727.21912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.4
61.98822	2.0
65.01856	0.5
71.01366	1.3
73.02946	0.5
75.37112	0.5
79.81576	0.4
79.95702	0.7
85.02988	0.5
89.02452	1.0
98.19861	1.3
101.02448	1.1
125.09766	0.7
127.11302	1.9
143.03682	0.5
153.09250	0.5
153.55728	0.5
161.04610	0.6
171.10268	100.0
172.10597	4.5
235.08167	1.2
253.09297	5.8
277.21716	50.2
278.22018	4.9
407.19186	2.5
439.64731	0.6
493.03851	0.6
629.33569	0.6
727.45258	0.8
733.92383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.7
61.98818	2.3
63.47009	0.8
71.01383	2.1
71.97803	0.7
79.95728	1.9
87.00858	0.9
89.02413	1.5
98.19897	2.3
101.02460	2.0
113.02411	1.0
125.09707	0.8
127.11289	1.3
137.63617	0.8
150.52589	0.7
156.40761	0.8
161.04568	1.0
171.10274	89.6
172.10620	4.2
179.05594	0.8
193.95634	0.8
214.65714	0.7
235.08229	4.5
253.09320	7.3
260.41422	0.7
277.21722	100.0
278.22067	11.7
294.60071	0.8
407.19336	1.4
407.87646	0.8
727.44073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30111	0.5
58.13657	0.5
59.01376	1.0
61.98817	2.0
71.01373	1.9
74.99094	0.6
78.95902	100.0
79.80090	0.5
83.01408	0.6
89.02442	1.3
96.96962	11.7
98.19753	1.0
101.02435	1.5
102.56297	0.5
105.26267	0.5
107.03593	0.6
113.02448	1.1
122.06091	1.1
133.02959	9.8
133.03877	0.9
134.04724	9.3
135.04466	0.5
158.92528	9.9
161.02446	30.1
161.04482	1.3
162.02773	1.5
163.01643	2.3
174.98003	1.1
179.03429	1.0
181.02756	0.9
191.01152	2.1
208.03783	2.4
260.99286	0.8
271.10849	1.9
272.95572	2.9
305.09222	0.7
315.09857	1.2
328.04459	1.2
328.50388	0.5
333.10791	0.7
339.07828	5.8
340.08258	0.8
346.05496	6.8
357.08966	1.1
381.08878	7.6
399.10034	1.9
408.01089	5.7
461.05484	7.4
481.54892	0.6
503.14151	1.0
545.14612	1.3
657.21594	0.6
665.19318	10.0
666.19757	1.5
728.15228	31.8
729.15576	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	727.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46296	2.6
59.01376	29.4
60.71885	3.2
61.98827	6.8
68.35043	3.8
71.01380	24.1
71.61348	2.9
72.99277	3.3
73.02960	3.7
77.59765	2.6
78.95905	3.7
78.98562	2.8
80.50024	2.8
85.02959	7.9
89.02448	14.0
101.02445	13.1
108.04611	2.9
113.02428	7.2
116.92896	5.3
122.06087	8.9
132.04546	8.6
134.03740	3.5
149.02403	4.0
150.05533	4.4
158.02467	3.5
160.04022	8.0
161.04593	3.8
162.05615	5.1
165.00548	3.3
174.05573	3.9
176.03505	6.2
179.05685	5.0
184.07642	3.1
188.29460	2.6
190.05109	15.5
211.08740	3.9
212.05733	3.7
213.06631	6.8
215.11916	3.1
224.09541	4.2
226.07401	4.4
227.08150	11.1
230.80812	3.1
238.08670	3.5
239.08141	5.2
239.11852	15.9
241.09805	11.5
252.05508	3.6
253.06201	19.2
253.09874	7.8
254.03497	3.4
254.06567	4.7
255.07657	14.2
255.11418	7.1
263.08350	3.0
265.09741	8.2
266.06662	3.1
267.07776	18.8
268.08521	12.0
281.09363	24.1
282.09525	3.2
283.10864	81.7
284.11292	5.8
287.10361	12.3
299.10361	8.6
307.10834	3.1
309.08798	69.6
327.09857	46.0
328.10144	4.5
331.09387	5.0
336.06985	3.8
341.11340	36.5
342.11639	3.5
351.09637	3.3
353.07632	14.0
359.12302	4.6
367.09262	3.8
369.11011	4.5
371.08801	40.7
372.09189	5.7
385.10303	6.7
403.11453	65.6
404.11615	7.4
445.12521	13.1
475.13254	3.6
505.14636	13.1
515.13086	20.0
533.14203	19.4
547.15302	15.3
565.16675	99.8
566.17230	17.5
607.17712	36.4
608.18127	5.2
611.25470	4.0
637.18848	14.1
638.18982	4.1
667.19861	52.6
668.19940	8.1
677.60486	3.3
695.19324	9.0
727.22009	100.0
728.22363	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	727.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02865	1.1
57.03434	2.1
59.01377	11.3
61.98819	3.8
62.30758	1.1
67.56769	1.0
71.01379	14.8
71.60879	1.5
72.99298	2.1
73.02944	2.7
73.04077	1.2
78.95886	1.8
83.01370	3.7
85.02934	4.5
87.00860	2.6
89.02437	9.1
89.50416	1.3
92.34307	1.3
96.96003	3.2
99.04484	1.7
99.92572	2.7
101.02425	7.8
109.93441	1.1
113.02458	5.8
116.92068	2.6
116.92863	37.9
117.92855	3.7
119.03448	3.2
120.99628	1.5
122.06104	3.1
125.02461	2.9
126.10592	1.1
132.04539	5.2
134.03670	1.7
143.03534	2.1
143.04614	1.6
149.02411	1.2
156.00676	11.6
158.02461	3.0
160.04034	4.2
161.04588	3.5
162.05672	2.2
176.03513	3.9
178.84068	1.2
179.03619	1.4
179.05623	3.0
183.09250	1.2
184.07614	2.2
190.05096	11.5
193.05150	2.0
196.06116	1.2
196.11340	1.2
198.04337	3.5
202.05251	1.3
210.09222	1.9
211.05092	2.1
211.12358	1.9
212.07236	2.2
212.10670	1.3
213.06773	1.8
219.03236	1.2
224.09499	5.3
225.06465	1.8
226.07423	2.3
227.08305	5.7
238.08640	1.3
239.04637	1.4
239.08311	1.7
239.11909	10.1
240.10443	2.8
241.09900	6.0
250.07332	2.8
252.05367	2.7
253.06198	11.1
253.09810	2.9
254.03378	2.8
254.06741	2.1
255.07710	5.4
255.11324	4.4
265.09781	5.3
266.08121	2.2
267.07718	6.7
268.08524	7.9
281.09372	6.7
282.09546	1.6
283.10858	51.9
284.11185	5.1
287.10287	4.0
299.10431	1.8
309.08820	27.6
310.08990	2.2
327.09927	17.1
336.06909	9.3
337.07590	1.3
341.11346	11.4
353.07809	2.4
359.12064	1.7
371.08871	10.9
385.10342	13.7
401.13635	1.7
403.11285	20.1
404.11588	1.8
413.09567	1.5
430.04333	1.4
445.12598	2.6
491.58740	1.3
505.14835	2.3
565.16864	5.6
565.25598	1.2
695.19562	3.3
727.22003	100.0
728.22382	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17280	1.6
58.00578	1.7
59.01389	17.1
61.98826	4.3
69.59299	12.2
71.01382	13.2
73.02942	2.4
83.01376	2.1
83.20476	1.7
85.02942	5.3
87.00870	2.2
89.02435	4.9
95.01387	2.7
96.01437	1.8
99.92573	6.7
101.02453	5.1
102.56516	1.6
113.02476	5.6
116.92860	53.2
117.92826	2.3
122.06123	4.4
132.04567	7.7
135.04530	2.0
145.66116	1.7
147.03207	3.1
150.05638	3.3
158.02470	3.6
160.04005	7.3
162.05615	2.2
176.03494	3.7
176.07095	3.4
184.07671	2.8
190.05089	18.8
191.05707	3.0
192.06700	2.1
198.04340	3.6
199.08775	2.0
209.07184	2.4
211.08682	3.4
211.12401	3.8
212.05696	3.8
212.07439	2.6
212.10738	2.3
213.06619	3.0
215.11748	2.8
224.09494	6.4
225.06664	1.8
226.07414	2.4
227.08275	9.1
228.08664	1.7
234.04028	2.9
235.70026	1.8
237.10260	3.3
238.08749	5.4
239.04677	2.5
239.08249	3.9
239.11876	16.9
240.10413	3.5
241.09766	9.9
252.05482	2.6
252.09532	1.9
253.06161	14.4
253.09831	7.6
254.03276	5.0
254.06726	2.2
255.07635	12.6
255.11307	4.8
255.36346	1.9
265.09787	6.4
266.07184	3.0
267.07745	16.9
268.08545	9.6
281.09296	16.4
283.10880	78.2
284.11230	6.9
285.08902	3.0
287.10397	11.7
291.07825	2.1
294.06461	3.0
299.10300	5.1
309.08817	49.5
310.09125	5.2
315.13580	2.1
323.10266	3.4
327.09845	48.4
328.10147	5.3
331.09329	4.5
335.06650	1.9
339.09732	1.9
341.11368	22.7
353.07700	4.7
359.12415	5.0
369.11017	3.7
371.08865	32.9
372.09299	3.7
385.10300	18.8
403.11417	52.1
404.11691	5.2
445.12354	16.6
446.12375	2.5
475.13260	1.8
487.13507	2.9
505.14801	12.0
515.12244	2.6
533.14478	8.4
547.15662	38.3
548.16046	4.0
565.16754	100.0
566.16992	14.7
607.17957	22.1
608.18201	4.2
637.18933	14.4
667.19928	62.3
668.20038	10.7
691.19531	2.5
695.19598	4.3
696.19287	2.0
705.07544	2.0
708.65875	2.0
727.21967	88.6
728.22498	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	727.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03450	5.4
59.01382	37.9
61.98828	6.6
63.44175	1.2
65.03963	1.4
67.01893	3.2
68.99828	1.6
69.03458	9.9
71.01384	24.7
71.08632	1.8
71.08955	1.3
72.99309	2.2
73.02956	14.1
74.93546	1.2
77.14216	1.0
81.03470	5.3
83.01390	5.9
83.05043	2.0
84.02182	1.2
85.02955	58.1
86.03271	1.5
87.00880	100.0
88.01227	2.9
89.02453	5.1
93.03464	6.5
95.01398	21.4
97.02954	28.3
99.00885	3.0
99.04528	3.5
101.02444	3.5
103.04027	8.2
109.02984	8.3
111.00876	8.0
113.02448	18.9
115.00377	11.0
115.03999	2.6
125.02448	3.3
127.04030	16.3
129.01883	2.3
132.02231	1.9
133.02959	20.7
135.04520	3.1
137.02438	3.7
139.00388	15.3
141.05559	2.1
145.05060	8.9
155.03484	3.4
157.01416	8.4
161.02448	76.2
165.70581	1.1
167.03590	1.3
169.05080	3.5
171.02983	1.3
173.04495	4.8
175.02472	61.2
176.02826	1.5
179.03506	4.0
179.05608	4.2
199.02478	37.8
200.02925	2.3
203.03560	1.8
207.98320	11.1
213.04117	1.5
217.03517	21.9
223.00681	3.2
247.54579	1.2
285.06134	2.6
303.07227	18.3
321.08148	6.7
341.08807	1.2
344.93283	1.1
345.08191	10.7
346.08823	1.5
383.09784	4.2
387.09250	15.9
388.09854	1.8
405.10376	6.3
551.15320	1.2
563.12347	2.3
623.14441	9.3
624.14288	1.4
665.19305	17.5
671.56158	1.3
685.18518	2.3
709.18408	14.3
710.18115	2.5
727.18994	24.8
728.19354	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	725.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.8
61.98826	5.9
63.52507	1.0
65.00323	1.4
71.01389	4.9
73.02928	1.5
83.01408	1.6
85.02963	2.9
88.98785	1.0
89.02454	2.8
94.22338	1.0
96.95956	1.0
101.02441	3.0
107.01365	2.5
108.02188	1.8
113.02382	1.6
116.92867	1.0
119.47544	1.0
121.02956	1.6
125.02477	1.3
128.03485	1.3
133.02960	1.1
134.03741	1.6
137.84966	0.9
142.99796	1.4
143.03528	1.6
151.00386	8.6
160.01617	3.7
161.02409	1.9
163.00354	2.2
173.00984	1.8
174.01634	1.7
175.03975	3.3
178.99821	4.6
179.03453	1.6
179.05478	1.0
193.05057	1.2
199.04013	2.2
211.04008	1.7
216.15335	1.0
226.02715	2.2
227.03426	3.8
229.05038	1.2
243.02988	13.5
244.03471	1.6
254.02081	2.5
255.02983	31.8
256.03323	3.4
271.02469	63.7
272.02957	9.1
299.01813	2.7
300.02753	100.0
301.03436	31.1
302.03641	1.3
306.07648	2.2
315.05051	2.2
477.30893	1.6
482.11505	1.0
487.09079	1.2
505.10034	7.2
506.10037	1.2
557.84979	1.0
579.36871	1.0
621.12708	1.4
622.81299	1.0
639.13983	1.9
681.14563	58.2
682.15198	15.9
724.42981	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	727.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81161	0.1
51.86373	0.1
59.01380	0.5
61.98832	0.3
64.34778	0.1
65.45706	0.1
71.01385	0.4
74.02523	0.1
77.61530	0.1
85.02929	0.2
89.02460	0.1
99.92590	10.7
100.92625	0.6
101.02469	0.2
113.02437	0.2
114.93427	0.3
115.16820	0.1
116.92864	100.0
117.92872	5.8
125.02506	0.1
128.03531	0.1
169.06186	0.1
187.62241	0.1
227.03465	0.3
230.31721	0.2
255.02957	0.3
263.75839	0.1
284.03293	0.4
285.04239	0.6
296.24948	0.1
315.96695	0.1
370.34976	0.1
417.43619	0.1
461.11929	0.1
609.14771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40537	0.1
59.01380	0.4
60.15307	0.1
61.49430	0.1
61.98848	0.2
62.01609	0.1
71.01386	0.4
72.31509	0.1
72.35410	0.1
73.02943	0.1
85.92074	0.2
89.02460	0.2
99.92586	10.5
100.92596	0.7
101.02436	0.2
113.02412	0.2
114.93430	0.5
116.92863	100.0
117.01902	0.2
117.92875	6.0
149.02435	0.2
152.78424	0.1
177.47437	0.1
191.03477	0.1
227.03534	0.4
227.08253	0.2
241.09926	0.2
255.02992	0.8
255.07678	0.2
265.09915	0.1
267.07813	0.2
281.09341	0.3
283.10898	1.1
284.03214	1.1
285.03934	0.5
287.10342	0.3
309.08771	0.9
327.09991	0.4
338.72473	0.1
341.11371	0.6
371.09122	0.3
385.10413	0.2
403.11093	0.7
505.14850	0.2
565.16711	0.7
607.18018	0.6
609.14624	1.3
610.14386	0.2
637.18726	0.3
667.19836	1.1
727.22180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62844	0.4
55.01877	0.5
57.03435	1.6
59.01378	5.1
61.98827	1.8
68.58824	0.4
71.01382	3.8
73.02932	1.2
74.79622	0.4
79.95766	2.1
80.96511	3.6
83.01384	0.8
85.02952	1.7
87.00921	0.4
89.02461	2.2
96.96011	44.0
99.00854	0.7
99.04514	0.5
101.02431	1.5
112.62805	0.4
112.83340	0.4
113.02457	1.7
119.03474	0.5
125.02428	0.9
134.03722	0.7
137.75316	0.4
161.04630	0.6
193.05040	1.1
231.25822	0.5
235.71729	0.5
289.93866	0.5
309.89792	0.4
401.16650	0.5
475.21872	0.9
490.05087	0.5
492.55212	0.6
493.22958	0.8
535.23456	0.6
723.32666	100.0
724.32983	22.5
724.45947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10834	0.4
57.03439	0.5
59.01377	1.8
61.98817	0.4
63.02386	0.7
65.00326	1.0
71.01389	3.4
72.99294	0.7
73.02940	0.4
83.01430	0.5
85.02964	2.6
87.00872	0.7
89.02444	0.4
95.01372	0.8
96.29262	0.4
98.01228	0.4
99.00879	1.1
101.02446	1.1
107.01388	1.5
108.02169	0.6
109.02923	1.2
111.01006	0.4
113.02443	2.7
116.92912	0.5
121.02934	0.6
125.02437	0.9
130.27802	0.4
133.01463	0.5
135.00903	0.8
145.02930	1.0
151.00377	5.4
161.02609	0.4
163.00359	1.7
174.03218	0.5
175.02419	0.8
178.99803	3.2
179.05634	0.6
188.04823	0.6
190.02702	0.7
191.03452	0.6
198.03244	0.6
199.03961	1.0
215.03461	0.6
215.13957	1.8
216.04291	0.6
223.76079	0.4
226.02678	5.6
227.03464	2.5
243.02966	12.3
244.03357	0.8
254.02203	5.4
255.02946	7.8
256.03378	0.7
257.04611	0.5
271.02475	60.5
272.02939	6.1
283.02643	0.8
284.03308	1.0
285.04065	1.3
299.01978	1.8
300.02744	65.6
301.03430	17.7
302.03806	0.9
342.03531	0.5
343.04602	0.7
463.08789	1.7
505.09885	100.0
506.10239	11.9
547.10754	2.1
575.10266	0.7
577.11969	1.7
589.11945	0.5
601.12115	0.5
639.12408	0.7
681.13031	8.4
682.13574	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	716.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98831	100.0
62.98539	0.2
65.69019	0.1
89.02449	0.1
95.85242	0.1
122.14242	0.1
128.61790	0.1
224.23593	0.1
237.08963	0.1
255.23306	0.1
256.23697	0.2
257.23929	0.1
263.91946	0.1
272.57602	0.1
398.13852	0.1
399.14206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80183	0.1
56.02264	0.1
59.01373	0.1
61.98832	100.0
62.98540	0.2
66.30875	0.1
71.01393	0.1
84.98689	0.1
101.02493	0.1
117.22678	0.1
235.30365	0.1
255.23454	0.1
256.23575	0.1
256.91043	0.1
381.57529	0.1
399.14203	0.2
543.67303	0.1
646.84546	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	719.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	7.2
66.20264	3.8
70.27639	15.1
71.01403	5.6
72.58477	3.5
77.59926	3.7
89.02436	10.1
95.73136	4.1
101.02420	3.4
107.37930	4.0
135.80716	3.9
179.05583	5.3
229.86124	3.9
263.71368	3.8
296.47455	3.9
301.83511	4.7
310.28580	4.3
341.10913	24.0
342.11490	4.5
376.47076	4.2
377.08560	100.0
378.08798	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	720.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62668	0.3
61.98830	100.0
69.39198	0.3
69.63325	0.9
69.63737	0.9
91.94783	0.3
96.96027	0.3
98.00591	0.3
116.92871	0.4
147.33784	0.2
166.10225	0.3
181.40111	0.3
201.71037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.0
71.01392	18.0
71.60342	5.4
72.47736	3.3
72.61974	3.1
87.00886	6.8
89.02440	13.0
95.01334	4.4
97.20838	3.8
99.00877	12.7
105.03493	6.5
113.02425	9.0
119.03558	6.1
121.02950	4.2
123.04539	27.7
133.02026	7.1
133.02965	100.0
135.04506	5.6
139.04033	8.1
140.30254	3.2
147.00876	3.7
147.04504	5.6
149.02451	14.8
149.06070	3.7
151.03996	6.7
157.03119	3.8
161.02437	42.8
161.04462	5.8
175.04005	10.0
176.01140	5.7
177.01921	26.8
179.05583	10.1
195.03001	24.7
201.01982	8.9
219.02940	9.7
255.87491	3.7
279.02698	6.7
288.49881	4.2
339.07166	13.5
381.08356	46.3
383.09808	4.2
423.87558	4.2
447.34308	3.6
663.17682	30.2
664.17896	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	716.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47249	0.6
58.02980	6.0
59.01388	0.5
61.98823	1.7
63.96239	0.8
64.95242	0.7
69.60412	4.3
71.01390	1.0
72.00911	2.6
73.01174	2.3
74.02474	17.2
81.02222	0.9
81.04569	0.7
82.02990	1.4
84.04502	1.0
86.02480	7.7
86.06106	0.8
87.05640	2.9
88.04042	1.4
90.00188	0.9
96.04563	0.8
97.04107	1.5
98.20628	1.2
99.05649	12.1
100.00391	1.2
101.07200	1.9
102.05602	1.7
109.04063	1.8
109.07703	0.7
111.05655	0.8
112.04063	1.1
112.98798	1.9
114.00197	1.0
116.92841	1.7
120.97859	1.5
123.05659	1.0
124.04072	1.2
125.03568	1.8
127.05145	3.2
127.08797	1.8
128.03545	41.0
130.05013	0.7
131.04643	1.2
131.41241	0.6
133.20915	0.6
135.05673	3.7
137.07208	0.9
141.06685	2.2
142.99886	2.0
143.04628	49.1
144.04941	1.2
145.06204	4.9
146.04620	4.9
153.06711	3.1
155.08215	1.0
160.00749	6.8
166.09796	2.0
167.04630	3.0
167.08243	2.0
170.03334	0.8
171.04143	1.5
171.07755	6.5
173.00908	0.9
175.01927	0.7
177.03394	2.2
179.04607	11.6
179.06056	1.0
181.06230	1.8
185.05647	3.8
192.07797	1.4
197.05681	1.4
199.07217	3.1
201.05203	0.7
210.08882	10.0
217.08386	1.0
242.07907	0.7
244.09355	1.6
253.36028	0.7
254.07841	12.3
272.08875	32.0
273.09488	2.5
288.03830	0.6
288.06497	3.7
304.06137	5.2
305.08548	2.1
306.07660	100.0
307.07974	4.9
328.09561	3.1
346.10754	53.1
347.10895	4.3
378.08023	3.9
395.08176	2.1
396.08923	1.2
687.97595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98043	1.1
57.03446	1.5
57.38093	0.8
58.02978	8.8
59.01380	6.3
61.98842	6.1
64.95235	1.2
66.91864	0.8
67.72489	0.9
69.03458	1.1
70.02992	1.0
71.01388	8.5
71.60876	1.2
72.00922	3.1
73.01169	5.3
73.02939	2.0
73.98324	1.1
74.02477	20.1
75.00883	1.2
81.02215	1.2
82.02983	2.7
83.01402	1.7
85.02959	3.6
86.02477	13.4
86.06124	1.4
87.00906	1.9
87.05653	3.5
88.04046	3.4
88.98829	1.8
89.02454	3.9
95.00753	0.8
95.01418	0.9
96.04581	1.0
97.04065	2.2
98.02512	1.1
99.00884	2.3
99.05651	14.8
100.00418	4.1
101.02428	4.4
101.07162	2.1
102.05592	3.2
106.06607	2.3
109.02910	1.0
109.04078	2.5
111.02029	0.9
111.05628	1.3
112.04075	2.1
112.98814	1.8
113.02475	4.5
113.03543	1.0
115.83377	0.9
116.92890	4.0
117.92902	2.3
119.03484	1.0
120.97889	2.4
124.04032	1.0
124.07740	1.2
125.02454	1.5
125.03581	3.1
126.01859	0.9
127.05141	5.6
127.08772	1.7
128.03543	63.7
130.05112	1.4
134.03763	2.5
135.05647	4.0
137.07237	1.2
139.00322	0.9
141.06740	2.9
142.99916	2.2
143.04628	66.4
144.04964	1.6
145.06219	6.1
146.04596	6.6
150.05620	1.1
151.00447	1.2
153.06667	4.8
155.08311	2.4
157.06212	1.3
160.00702	8.5
160.01659	0.9
161.04532	1.2
166.09868	4.0
167.04659	2.8
167.08246	3.8
167.28670	1.0
171.04135	2.0
171.07787	6.3
173.00900	1.8
174.01700	1.3
175.03923	1.8
177.03476	1.8
179.03128	1.9
179.04553	14.1
181.06216	2.8
184.10960	1.4
185.05685	3.7
193.04996	2.0
197.05721	1.2
199.07288	4.4
210.08818	14.4
211.09259	1.2
217.06526	1.3
217.08359	1.7
227.03360	1.7
242.07898	1.8
244.09445	2.5
254.05360	1.7
254.07828	20.0
255.03165	2.4
255.08148	1.5
272.08878	47.7
273.09116	2.7
284.03320	1.9
285.03989	1.7
288.06656	4.6
304.06012	7.7
305.08807	2.0
306.07657	85.5
307.07925	4.6
315.26346	0.9
328.09860	6.1
346.10764	100.0
347.11075	7.2
347.37601	0.9
378.07941	7.0
394.07462	3.7
395.08304	3.4
396.08997	1.0
437.12512	1.0
518.15228	2.2
553.32452	2.1
715.37585	3.2
716.23932	1.3
716.36658	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	716.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01697	1.3
61.98848	4.7
66.33296	0.8
71.61231	1.7
77.71177	0.9
98.20262	1.2
153.42181	0.9
161.89391	0.9
168.57500	0.8
174.01700	1.1
256.91501	1.0
287.04980	0.9
317.63055	1.0
345.09583	0.9
469.42963	0.9
584.03772	1.0
676.83551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33285	0.9
58.02979	5.3
59.01368	4.0
61.26132	0.8
61.98815	1.5
69.39944	8.4
70.02990	1.0
71.01380	3.2
72.00919	2.3
73.01172	3.2
73.02934	1.0
73.98331	1.1
74.02480	15.3
79.04378	0.9
81.04571	1.4
82.02979	1.7
85.02946	1.2
86.02491	8.9
86.99117	1.2
87.05629	3.7
88.04041	2.4
89.02473	1.4
97.04066	1.5
99.00877	1.0
99.05643	13.2
100.00394	2.2
101.02430	1.9
101.07191	1.5
101.49683	1.0
102.05605	1.9
102.21118	1.0
107.06113	1.2
109.04105	2.2
112.04028	1.2
112.98792	2.0
113.02422	2.1
116.92847	2.2
125.03537	2.6
127.05115	3.2
127.08775	1.2
128.03542	43.4
129.03888	1.2
134.03748	2.3
134.16496	1.0
135.05635	3.2
141.06691	1.6
142.99876	1.8
143.04623	51.0
144.04932	1.1
145.06169	4.3
146.04572	4.4
153.06660	3.0
160.00804	6.5
161.04431	1.1
166.09866	2.1
167.04610	2.3
167.08186	2.3
171.07767	7.3
173.00890	1.9
174.01630	1.2
176.44070	1.0
177.03194	1.9
178.02730	1.0
179.04591	11.3
181.06187	1.4
185.05641	3.7
192.07671	1.5
193.04970	2.0
197.05565	1.5
199.07193	4.3
210.08853	10.5
242.07768	1.1
244.09290	1.7
254.05338	1.6
254.07808	17.0
272.08875	40.6
273.09399	1.3
288.06567	3.8
301.70981	1.0
304.05988	7.8
305.08649	2.7
306.07639	100.0
307.07843	4.9
328.09711	5.0
334.63394	1.1
346.10757	79.0
347.10986	6.9
378.08044	3.8
394.07336	1.5
395.08090	2.7
396.09015	1.2
486.03101	1.0
627.65698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.8
69.39024	7.2
71.01371	1.2
77.55163	0.7
80.15026	0.7
86.52386	0.7
124.46889	0.7
136.17656	0.9
185.82327	0.9
195.09209	0.8
209.62624	0.7
275.27951	0.8
430.24863	0.9
493.13806	0.8
530.08771	0.9
671.29816	0.8
677.49335	2.6
690.08801	0.8
712.36212	0.8
713.47357	100.0
714.47601	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.2
59.01387	20.1
61.98819	1.0
70.05321	3.1
71.01387	18.7
73.02950	2.2
83.01371	1.1
84.43474	0.8
85.02959	4.0
87.00893	1.8
89.02449	20.0
95.01458	1.6
99.00880	1.1
101.02448	9.8
113.02457	9.1
119.03530	7.4
125.02451	1.3
131.03471	1.9
132.02187	22.0
134.03748	13.2
143.03540	2.6
149.06091	2.5
160.01675	96.1
161.01961	4.9
161.04544	7.7
175.04018	100.0
176.04344	6.3
178.02631	1.0
179.05626	27.8
179.07190	1.6
191.07150	1.8
193.05066	23.1
207.06691	1.4
217.05110	6.0
221.06664	3.1
235.06119	12.7
259.05994	0.8
263.07764	1.5
265.07236	2.1
295.08258	1.5
305.08786	1.8
323.09360	0.8
337.09232	1.6
355.10379	10.8
397.11398	39.7
398.11755	4.1
401.06262	0.7
401.12448	1.0
426.81656	0.8
439.12451	3.4
457.13516	1.9
564.89850	0.8
572.91003	0.9
648.32092	0.9
651.50439	0.8
655.64191	0.8
661.20441	2.5
679.20892	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	713.2603
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
59.01371	0.7
61.98838	5.3
66.18035	0.8
74.30231	0.7
79.95739	2.0
86.99100	3.3
89.03952	1.7
93.03497	0.8
105.03497	1.0
106.04154	0.7
117.03474	4.3
119.05018	3.5
119.08614	0.7
121.02931	2.0
132.02171	8.0
133.02963	12.4
134.03743	72.3
135.04552	27.0
136.04823	1.3
137.02426	7.2
137.17093	0.6
139.04002	2.7
147.04482	3.8
148.05257	2.0
149.06082	7.1
149.86449	0.7
150.03238	1.1
155.18422	0.8
160.01669	23.6
161.02448	16.6
162.02835	0.6
175.04012	17.7
176.04276	1.0
178.02722	5.2
179.03497	19.5
180.03784	0.9
185.11777	0.7
191.03677	0.7
193.05057	27.4
194.05273	1.3
201.11169	0.8
207.06683	3.7
234.75639	0.8
262.22974	0.8
272.07285	0.7
369.13361	1.0
383.14966	1.3
428.81842	0.6
505.18710	2.1
519.20050	2.4
537.21405	3.7
625.26367	0.9
698.23395	1.6
713.26001	100.0
714.26385	24.6
714.36023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
59.42157	1.2
61.98827	15.0
63.94456	1.2
70.74569	1.7
70.74905	2.7
79.95744	5.8
89.03937	1.6
92.92709	1.2
98.20274	1.7
117.03443	4.7
119.05029	3.0
121.02966	2.1
122.60999	1.5
128.93736	1.6
132.02176	10.1
133.02974	14.2
134.03741	75.2
135.04561	28.1
137.02467	5.9
139.04018	2.2
147.04466	3.0
148.05298	2.7
149.06076	7.9
150.02991	1.2
160.01648	22.4
161.02463	13.8
161.06116	1.5
174.43074	1.2
175.04008	20.1
178.02676	5.5
179.03505	18.7
193.05069	27.2
207.06532	2.6
369.13428	2.2
380.05777	1.4
505.18997	1.8
519.20001	3.1
537.21509	3.4
713.26056	100.0
713.36462	3.5
714.26416	21.9
714.38190	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	713.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
58.00603	0.7
59.01380	18.1
61.98837	4.6
63.75685	0.7
64.58875	0.6
69.03449	0.9
69.43870	5.5
71.01385	24.9
72.99305	1.6
73.02946	9.4
79.95724	0.8
81.03489	0.7
83.01389	4.2
85.02950	6.7
87.00868	3.9
89.02453	17.7
93.03454	1.0
95.01389	3.3
97.02960	6.7
99.00893	0.8
101.02448	26.4
101.48280	0.7
108.02148	0.7
113.02457	12.5
115.03986	1.5
116.92839	1.7
117.74753	0.7
119.03516	7.2
119.05023	1.3
121.02948	5.0
122.03780	1.6
123.04533	2.0
125.02399	1.6
131.03496	2.3
133.02946	2.2
134.03748	57.5
135.04155	2.6
137.02461	11.6
139.04013	4.1
143.03531	6.3
145.02940	1.0
147.04510	1.3
149.02467	4.2
149.06082	18.2
150.03201	1.8
151.04021	0.9
160.05383	0.7
161.02478	1.4
161.04564	25.2
162.03244	7.9
162.04684	1.1
171.08919	0.7
177.05632	5.3
178.02728	35.4
179.03070	2.0
179.05615	16.4
180.04163	0.7
191.03448	1.1
192.04141	0.9
193.05066	100.0
194.05453	5.8
209.04587	1.5
221.06723	3.9
229.08672	1.0
263.07748	6.9
285.03967	0.6
307.14029	1.8
353.10318	3.3
357.11893	1.0
389.16348	0.8
519.17035	3.1
551.21179	2.7
597.18250	1.4
598.18671	0.9
713.22998	16.1
713.35217	2.0
714.23407	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	713.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97073	1.2
58.19745	0.9
59.01386	3.4
59.97296	1.0
61.98835	73.3
62.98539	1.2
70.36549	3.3
71.01394	4.2
80.01342	1.2
80.95849	1.0
86.17902	1.2
89.02447	2.2
93.03469	2.0
96.29135	1.2
101.02451	3.7
103.85664	1.0
109.65064	1.1
111.00919	1.2
113.02447	2.3
117.03471	3.3
119.05043	1.6
121.02946	8.6
122.03721	3.1
132.02139	1.8
133.02982	2.3
134.03745	45.2
135.04111	1.5
137.02440	5.2
139.03996	3.0
141.55257	1.1
145.02954	17.2
146.03285	8.4
147.04536	2.3
148.05339	1.3
149.02463	12.1
149.06096	14.8
150.01390	1.3
150.03233	31.3
155.21803	1.1
160.01645	6.6
161.04559	2.3
162.04834	1.2
163.03998	4.1
164.04645	2.6
165.05569	38.6
166.06021	1.6
175.04016	8.9
176.04776	5.5
177.01910	1.4
178.02710	24.4
179.05612	2.2
180.04224	2.5
191.07124	5.2
193.05077	100.0
194.05423	4.6
195.06619	22.5
220.03671	1.7
235.06087	11.5
250.06250	2.0
282.09076	6.5
312.97009	1.2
341.10281	24.2
342.10681	3.4
355.10403	1.8
389.12408	70.9
390.12625	8.6
427.32507	1.2
431.13583	3.2
488.14798	2.0
530.15771	4.9
551.17761	16.7
552.18176	3.3
574.91302	1.2
618.53424	1.5
650.19958	7.6
651.20813	1.5
713.23041	1.7
732.47876	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	713.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
57.03421	0.3
58.00580	0.4
58.13220	0.3
59.01093	0.6
59.01382	10.1
59.92434	0.3
61.98826	0.3
71.01385	10.1
71.60549	0.4
72.99316	0.5
73.02949	3.1
75.00878	0.4
81.03462	0.4
83.01381	1.2
85.02945	1.9
87.00890	1.2
89.01904	0.7
89.02444	9.5
93.03467	0.6
95.01364	1.2
97.02972	1.6
99.00913	0.4
101.02449	9.2
106.04274	0.5
108.51301	0.3
113.02458	4.4
118.37862	0.3
119.03504	4.0
119.04999	0.6
120.05209	0.3
121.02965	1.2
125.02440	0.5
131.03481	0.8
132.02144	2.0
133.02975	1.8
134.03745	38.3
135.04399	1.2
136.01691	0.7
137.02448	6.9
138.02756	0.5
139.04018	2.4
143.03508	2.3
145.02982	1.0
147.04523	1.2
149.02463	0.8
149.04446	0.6
149.06082	12.6
150.03242	1.4
150.06314	0.8
151.03949	0.4
158.03632	0.4
160.00417	0.6
160.01671	9.6
161.02444	0.7
161.04558	7.8
162.03238	6.8
165.01945	0.5
170.35089	0.3
175.02487	0.6
175.04008	11.2
176.04533	1.2
177.05597	4.2
178.02719	26.4
179.03183	1.6
179.05602	7.8
191.07179	0.4
192.04279	0.8
193.05060	100.0
194.05400	6.4
195.06709	0.4
217.05064	1.1
221.06599	2.0
235.06114	0.9
263.07733	2.1
264.08035	0.4
266.05789	0.3
294.09030	0.6
309.11438	0.4
353.10284	6.8
354.10498	0.8
355.10300	3.0
357.11923	1.2
389.12698	0.3
436.78204	0.3
519.17322	0.8
534.52045	0.4
551.17682	2.1
557.02936	0.4
713.22638	4.4
714.23444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55238	0.3
59.01376	2.8
61.98831	100.0
69.75435	1.2
69.75861	0.5
71.01383	3.0
73.02954	0.8
75.57059	0.3
83.01400	0.6
85.02952	1.1
87.00889	0.3
89.02449	2.4
93.03493	0.4
97.02960	0.5
101.02441	3.0
101.43077	0.3
105.03461	1.1
113.02442	2.1
117.03456	7.5
119.03538	0.8
119.05012	1.6
121.02962	1.6
122.03795	0.5
132.46277	0.3
133.02954	0.8
134.03738	5.0
136.01678	0.4
137.02455	0.8
145.02954	29.9
146.03285	1.6
147.04514	0.7
149.02466	1.7
149.06071	1.6
150.03253	3.0
160.01674	1.1
161.04604	3.1
161.05943	0.5
163.04022	4.1
164.04700	0.5
165.05568	5.4
175.04015	1.2
176.04854	0.6
178.02707	2.8
179.05646	2.7
181.04977	0.5
187.03995	2.7
191.07191	1.0
193.05048	11.1
195.06677	2.2
205.05061	1.0
207.02962	0.3
211.16016	0.3
221.06656	0.9
223.16690	0.3
225.04158	0.9
226.04405	0.4
227.03555	0.4
235.06039	1.4
239.07045	0.3
250.06332	0.6
255.03015	0.6
263.07700	0.3
282.09012	1.1
284.03479	0.5
341.10458	3.7
374.10770	0.3
383.11777	0.7
389.12439	9.5
409.38620	0.3
430.10910	0.4
448.09085	0.3
469.13498	1.0
487.14548	2.4
488.14639	0.5
529.15698	6.1
530.15997	0.7
551.17737	3.4
605.11096	0.3
631.18951	0.4
649.08899	0.5
649.19836	10.6
650.20343	1.9
681.57050	0.3
712.20319	1.1
712.31610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87544	0.9
57.03441	1.5
58.19793	0.7
58.42628	0.7
59.01373	7.4
61.98839	1.2
65.00334	2.0
69.88347	0.9
70.42764	0.9
71.01381	6.4
71.60932	1.4
73.02953	1.2
83.01379	1.4
85.02951	2.5
89.02454	4.0
94.33094	0.8
97.02890	1.0
97.59865	0.9
99.04500	1.4
101.02457	3.5
107.01382	4.1
108.02159	1.0
109.02929	1.4
113.02442	4.0
116.92872	2.4
119.03517	1.5
119.04916	0.9
121.02959	2.2
125.02492	1.7
128.03542	1.0
131.70583	0.7
134.03706	2.4
135.00826	1.0
148.01616	1.6
151.00381	13.3
160.01662	1.6
161.04634	1.0
163.00333	2.5
164.01195	1.0
169.01457	1.0
175.04028	2.3
178.99863	7.9
188.43929	0.9
193.05070	2.6
199.03900	1.5
211.03996	1.1
226.02707	2.0
227.03455	2.9
243.02972	13.0
245.04530	1.3
254.02188	2.0
255.02988	29.2
256.03351	1.8
259.15521	1.4
271.02487	58.5
272.02945	5.3
299.02075	1.6
300.02771	100.0
301.03445	33.9
302.03793	2.4
306.07565	0.9
311.10681	1.4
331.98779	1.0
369.10406	0.9
463.21976	2.2
478.46036	0.8
478.53885	0.9
523.23993	1.8
625.14056	5.0
667.15161	76.6
668.15558	13.9
711.21606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.1
70.92020	8.6
70.92369	11.7
71.01380	11.8
72.32775	5.6
89.02454	17.5
98.20082	8.6
101.02422	12.0
125.02455	7.5
132.88756	5.2
143.10744	5.9
163.67201	5.0
211.81290	6.5
235.08186	7.9
277.21725	46.2
397.13516	100.0
398.13687	8.7
415.14490	29.3
711.33905	41.3
712.33612	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	712.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
61.98833	100.0
66.92903	0.1
70.91030	0.2
70.91384	0.3
71.01390	0.9
72.07124	0.1
73.54032	0.2
77.37816	0.2
89.02448	1.3
89.09856	0.2
101.02463	1.0
105.90862	0.2
109.88067	0.2
113.02480	0.7
117.03471	3.3
119.03525	0.5
119.05002	0.8
125.02418	0.2
131.03519	0.2
134.03810	0.3
143.03465	0.3
145.02960	15.3
146.03290	0.8
161.04601	0.6
163.04007	1.2
179.05618	3.5
180.06015	0.2
187.03996	1.0
193.05074	0.7
205.05098	0.8
217.05003	0.2
221.06679	0.2
235.06187	0.2
288.16324	0.1
305.08948	0.4
305.58401	0.2
307.08395	0.4
308.91833	0.2
325.09344	1.8
367.10327	4.2
368.10791	0.5
409.11545	0.5
427.12366	0.3
515.97229	0.2
529.15259	0.3
631.18567	0.8
649.19751	3.0
650.20428	0.6
687.62897	0.2
712.20514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68217	0.5
61.98833	100.0
64.58430	0.4
71.60627	0.5
87.31223	0.4
93.84863	0.4
174.79515	0.4
341.80133	0.4
487.70441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1413
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
58.59742	1.5
59.01379	5.3
63.02385	2.5
63.48690	1.5
65.00320	4.5
66.91508	1.6
69.72891	8.5
71.01389	5.0
83.01399	3.2
85.02963	1.7
89.02444	6.0
101.02454	3.5
107.01414	8.0
121.02953	5.1
136.77661	1.8
151.00371	38.1
163.00351	2.0
178.99825	16.6
179.05688	1.9
183.04622	2.0
183.63921	1.5
187.03850	1.6
193.05112	1.8
227.03485	3.9
243.02956	10.8
255.02957	23.8
256.03403	3.1
271.02484	43.4
272.02863	4.1
299.01971	31.9
300.02740	97.1
301.03500	92.8
302.03854	5.6
386.94131	1.9
462.07922	5.5
463.08807	48.4
464.09076	5.5
505.09854	100.0
506.10156	13.2
531.07904	1.8
607.13293	1.9
667.14990	42.6
668.15857	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	711.1418
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
51.02175	0.7
52.29239	0.7
53.37025	0.8
55.53544	0.7
56.53423	0.7
59.01381	3.0
61.98844	1.0
62.77259	0.9
65.00321	1.1
71.01398	2.3
83.01411	1.9
83.21915	0.8
85.02950	1.5
87.00893	0.7
88.27405	0.7
89.02459	2.1
101.02456	1.6
107.01403	2.2
109.02966	1.2
113.02443	1.8
121.02930	1.4
133.02982	1.3
145.02933	0.9
147.00893	1.4
151.00381	9.9
161.04504	1.5
163.00436	1.0
163.04050	0.9
165.01871	0.8
171.04486	1.3
174.03186	0.8
175.00388	1.3
175.04002	1.3
178.99919	1.7
179.05664	1.9
190.29492	0.8
199.03979	4.3
201.01929	1.8
215.03468	1.8
226.02689	1.1
227.03477	4.9
241.04950	1.2
243.02968	5.6
254.02293	0.9
255.02917	4.1
271.02475	60.4
271.09613	2.5
272.02853	6.2
284.03247	1.6
285.03860	1.5
299.01962	100.0
300.02551	17.8
301.03534	45.9
302.03912	3.8
387.10754	2.1
462.08069	23.5
463.08743	21.9
464.09085	3.0
491.10901	1.8
505.09811	12.3
506.09952	1.4
625.13672	1.9
667.15149	82.1
668.15356	15.4
711.32220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70609	0.8
59.01381	12.2
64.14551	0.7
66.61412	0.8
68.83757	0.8
70.51498	0.7
71.01384	16.5
71.60314	1.0
73.02956	8.6
75.00861	1.4
77.47016	0.7
80.72339	0.7
82.53959	0.7
83.01411	2.0
85.02959	6.5
87.00884	3.5
89.02441	12.2
91.01891	1.1
95.01398	1.8
97.02966	3.4
99.00880	1.3
101.02450	16.6
101.03072	1.1
113.02456	11.2
119.01376	7.2
119.03509	3.9
119.26157	0.8
120.01845	0.8
121.02972	1.0
125.02467	1.8
131.03510	3.0
134.86792	0.8
143.03519	3.6
147.00867	4.4
149.02467	6.4
161.02467	1.1
161.04564	22.5
162.04956	1.0
164.04759	6.4
165.01929	1.7
175.00369	34.1
176.00677	2.2
179.05618	11.1
179.07149	1.6
190.02721	83.6
191.03110	3.8
205.05055	100.0
206.05397	6.3
208.03719	1.6
221.06503	5.2
223.06113	20.6
224.06490	1.5
227.03505	5.3
247.06079	8.7
255.02962	7.8
263.07721	3.6
265.07135	8.2
283.02740	1.0
284.03256	7.6
285.03955	4.2
289.06818	1.1
341.10965	3.7
383.11853	6.2
487.14743	1.6
489.10333	11.1
490.10614	2.3
529.15485	2.6
547.16559	1.4
589.17743	20.4
590.18231	3.6
659.05054	1.3
707.01563	0.9
709.21405	4.7
710.22449	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	709.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98814	2.1
66.03493	0.7
69.53347	1.1
69.53755	2.7
71.01355	0.9
73.04077	9.3
74.02473	10.8
82.02996	0.8
82.06590	0.8
83.02497	1.3
85.02892	0.6
87.05641	4.5
89.02452	1.0
92.47105	0.5
95.02524	2.6
97.04064	1.5
98.02476	0.5
99.01990	2.1
101.02419	0.8
101.07201	1.0
109.04078	2.5
112.02770	0.6
112.05154	2.4
113.03574	2.1
126.09176	0.8
127.05148	11.5
128.03600	0.5
129.10338	4.8
130.06232	7.7
130.08701	1.2
136.06454	0.6
139.08775	1.2
140.07156	2.0
143.11894	5.5
144.07784	1.2
153.10309	2.1
155.11848	1.1
158.09381	1.0
161.04488	0.7
166.08676	0.8
167.08235	0.5
169.09833	4.5
179.11891	1.5
180.10278	1.9
183.08920	0.7
183.11363	2.6
184.07278	1.6
186.12448	3.9
187.10892	1.8
190.39543	0.6
192.01839	0.6
195.11354	1.1
196.14534	1.0
200.13898	0.9
207.15021	2.3
214.15607	13.7
215.15924	0.6
218.19539	0.5
222.12477	4.9
223.10846	3.6
223.12794	0.7
225.13594	6.9
240.13506	4.3
241.09471	0.9
243.14612	7.5
247.14381	0.7
253.16710	0.8
258.14566	1.4
271.17746	6.1
272.18048	0.7
292.20279	0.7
297.15698	1.7
299.20795	0.7
315.16638	2.3
321.19354	1.8
328.19809	1.9
335.20825	1.8
353.21973	2.0
354.17831	0.5
372.18884	3.6
410.23911	1.8
467.26297	5.7
468.26416	1.1
485.27414	1.6
486.27994	0.7
593.32733	0.6
709.38885	100.0
710.39185	20.4
710.51746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15668	0.6
57.03442	1.4
59.01382	7.7
66.92970	0.7
69.42136	2.8
69.42563	2.2
71.01389	8.2
72.99307	1.5
73.02962	1.2
75.00864	2.6
81.69936	0.6
83.01406	1.3
83.37274	0.5
85.02955	11.9
87.00873	2.7
89.02454	2.8
93.03486	0.7
95.01403	3.9
99.00896	4.2
101.02448	1.6
103.00385	2.2
107.01365	0.8
111.00819	0.6
113.02455	24.9
115.00365	1.1
117.01953	1.6
117.03493	0.8
119.01340	0.9
129.01942	1.4
131.03488	0.6
134.54893	0.6
147.00861	1.0
149.02457	0.7
151.00415	2.2
157.01460	0.8
161.04550	1.3
175.00363	1.7
175.02486	7.6
178.99767	1.0
179.05609	1.2
180.85808	0.6
183.04483	1.4
185.06058	0.7
189.01978	0.6
190.02707	4.3
197.06053	0.7
205.05078	6.7
211.03932	2.2
213.05524	0.9
223.06123	1.6
227.03496	38.3
228.03886	3.1
239.03470	0.7
241.04958	1.0
255.02986	52.0
256.03540	8.3
260.48981	0.6
269.04529	4.8
281.04526	0.7
283.02493	6.5
284.03253	49.0
285.04019	35.9
286.04382	2.5
297.03876	0.9
309.04230	0.7
337.38037	0.6
429.08191	7.2
430.08572	0.7
432.80484	0.7
447.09039	2.2
489.10379	100.0
490.10724	14.5
531.11664	0.7
589.17114	0.8
665.13794	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46281	0.6
53.05287	0.6
57.03448	1.2
58.00597	1.4
59.01385	23.7
61.98825	0.8
65.00323	0.7
69.72951	3.2
71.01387	23.4
72.99313	2.2
73.02953	4.1
76.68669	0.7
83.01389	1.6
85.02964	8.6
87.00896	4.5
89.02450	27.3
91.01892	1.4
93.03476	0.9
95.01389	1.9
99.00889	1.8
101.02448	15.9
113.02460	13.6
115.00430	0.6
119.01405	7.8
119.03510	8.9
121.02979	1.6
125.02442	2.6
131.03548	3.3
131.04425	0.7
134.03679	0.7
135.04527	0.8
143.03514	4.2
145.03003	0.7
147.00858	4.0
149.02460	9.1
149.04494	1.0
161.02420	1.0
161.04538	8.2
162.03230	0.7
163.03986	1.2
164.04816	7.8
165.01935	1.7
175.00369	37.0
175.03928	1.2
176.00732	1.4
177.16959	0.6
179.05626	35.5
179.07043	1.6
180.05965	0.8
190.02725	83.6
191.03113	5.0
193.01491	0.6
205.05064	100.0
206.05420	6.6
208.03767	1.0
221.06573	5.0
221.08345	0.7
223.06123	20.9
224.06471	1.7
227.03542	10.2
237.07750	1.0
247.06102	5.6
255.02985	13.1
256.03625	2.6
265.07120	12.6
266.07364	0.9
277.07034	1.0
284.03259	11.7
285.04016	5.1
289.07379	0.9
295.08243	2.2
305.08838	1.4
323.09827	1.0
367.10202	1.1
385.11343	4.5
427.06631	1.5
427.12439	31.0
428.13071	3.9
489.10422	22.9
490.10406	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	708.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	0.3
59.01375	2.3
61.98847	0.4
63.70684	0.2
67.61832	0.2
69.68463	0.9
69.68871	0.7
71.01379	1.9
73.02956	0.6
83.01374	0.4
83.28582	0.3
85.02957	1.2
87.00886	0.4
89.02441	1.1
95.01405	0.4
96.99906	0.3
97.02978	0.4
99.00878	0.4
99.92506	0.2
101.02451	1.8
113.02451	1.5
114.47183	0.2
119.03516	0.5
123.01468	0.5
137.03044	8.8
152.05399	100.0
153.05766	4.5
161.04561	1.6
172.14699	0.2
175.02460	0.6
179.05617	1.0
179.58180	0.2
205.12262	0.4
213.96523	0.3
227.03528	2.9
228.66298	0.2
255.03001	4.3
256.03748	0.4
259.00629	0.3
259.03406	5.7
260.03671	0.4
284.03241	4.1
285.04028	1.3
322.02457	0.3
489.10397	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	707.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.98837	6.1
71.01384	2.5
72.99325	0.4
73.02931	0.6
78.42294	0.4
79.95727	2.9
80.96523	2.2
83.01379	0.5
85.02940	0.6
87.00874	0.5
89.02430	1.3
96.96017	52.6
101.02430	1.4
113.02416	1.3
142.99736	0.6
144.53294	0.5
161.04524	0.8
171.10219	1.1
173.00948	1.2
174.01715	0.9
177.01913	0.8
219.19510	0.5
236.48125	0.5
258.85468	0.5
272.14090	0.4
275.48541	0.5
310.72528	0.6
345.13638	1.0
352.89563	0.6
645.29407	0.5
707.33160	100.0
708.33496	20.6
708.46021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77184	1.3
55.01882	1.7
57.03452	6.0
58.02966	2.9
59.01094	1.9
59.01381	31.2
61.98829	16.6
63.78462	1.0
69.03455	1.3
71.01382	17.9
71.38324	2.4
72.99321	1.7
73.01175	1.5
73.02934	4.0
74.02489	3.8
74.81561	1.1
83.01392	10.6
85.02957	5.6
86.02480	2.4
87.00875	2.3
88.24667	1.1
89.02445	21.4
96.96025	2.2
97.02956	4.2
99.00903	1.6
99.04524	5.4
99.05666	3.3
101.02450	17.9
111.08165	6.8
113.02452	9.7
115.23627	1.1
118.45763	1.1
119.03499	7.4
125.02455	17.3
127.07648	1.4
128.03539	9.3
143.03468	4.3
143.04611	9.6
145.06190	2.0
155.03545	2.4
161.04546	5.3
167.03453	1.6
169.12338	2.8
171.07726	2.5
178.02802	1.4
179.05609	4.3
183.13940	1.2
185.05791	1.2
197.11824	36.3
198.12248	1.4
199.07295	1.6
199.13423	1.8
209.15483	8.0
211.13382	4.6
212.05289	1.4
221.06616	1.3
221.15437	1.6
223.17010	4.4
233.15408	2.1
235.08180	3.8
251.16614	7.8
253.09296	3.3
254.07851	2.2
263.20145	2.3
272.08896	5.0
291.19644	14.3
304.06143	2.8
306.07635	19.8
307.07910	4.5
309.20718	100.0
310.21100	12.2
346.10861	4.6
347.11102	1.9
397.13443	21.0
398.13632	1.9
415.14542	35.0
416.14871	2.1
429.15851	1.7
462.26978	1.3
468.46561	1.5
707.33838	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	703.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21478	4.2
59.01376	4.5
61.98833	100.0
64.95232	7.7
69.61478	23.4
71.01363	6.8
73.01170	24.1
83.01391	5.5
94.70035	2.9
99.00863	3.5
102.96842	3.7
112.98804	9.5
136.01666	3.7
136.95561	4.9
142.99863	7.7
151.03986	4.5
153.73943	3.0
173.00948	8.2
174.01697	93.4
196.07219	3.8
197.11906	5.9
245.01283	27.3
279.00024	12.6
436.98288	3.6
468.99139	4.0
598.47906	3.8
671.32312	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	703.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03423	2.3
59.01101	1.3
59.01382	22.9
60.01702	0.6
60.38169	0.7
61.98832	5.0
69.03468	1.5
69.60103	0.6
71.01389	14.7
72.29041	0.6
72.99290	1.5
73.02950	5.9
75.00845	0.7
78.95864	0.6
83.01386	4.3
85.02954	7.7
87.00864	2.3
88.98819	0.9
89.02453	7.8
95.01384	3.1
97.02968	1.2
99.00892	1.6
101.02440	11.2
108.02155	0.9
111.00893	2.9
112.13747	0.6
113.02454	7.1
119.03499	2.4
125.02460	6.0
128.03543	1.5
129.01921	0.8
139.00363	2.7
151.00392	3.1
152.01140	1.3
153.01923	0.8
159.02995	0.7
161.04559	1.4
169.01382	2.1
174.06270	0.6
175.02457	0.6
193.05115	1.4
250.98492	0.6
371.20190	0.6
386.21881	0.6
445.29645	1.4
463.30469	2.5
481.31723	30.6
482.31952	5.5
511.82913	0.7
533.26038	1.6
541.19373	0.8
643.36963	100.0
644.37225	21.2
703.38354	3.4
704.37616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03423	2.3
59.01101	1.3
59.01382	22.9
60.01702	0.6
60.38169	0.7
61.98832	5.0
69.03468	1.5
69.60103	0.6
71.01389	14.7
72.29041	0.6
72.99290	1.5
73.02950	5.9
75.00845	0.7
78.95864	0.6
83.01386	4.3
85.02954	7.7
87.00864	2.3
88.98819	0.9
89.02453	7.8
95.01384	3.1
97.02968	1.2
99.00892	1.6
101.02440	11.2
108.02155	0.9
111.00893	2.9
112.13747	0.6
113.02454	7.1
119.03499	2.4
125.02460	6.0
128.03543	1.5
129.01921	0.8
139.00363	2.7
151.00392	3.1
152.01140	1.3
153.01923	0.8
159.02995	0.7
161.04559	1.4
169.01382	2.1
174.06270	0.6
175.02457	0.6
193.05115	1.4
250.98492	0.6
371.20190	0.6
386.21881	0.6
445.29645	1.4
463.30469	2.5
481.31723	30.6
482.31952	5.5
511.82913	0.7
533.26038	1.6
541.19373	0.8
643.36963	100.0
644.37225	21.2
703.38354	3.4
704.37616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16177	0.1
57.34993	0.1
59.01382	3.1
60.01713	0.3
61.01811	0.1
61.55421	0.1
61.98833	100.0
62.98553	0.2
62.99274	0.1
75.95262	0.1
78.95925	0.1
92.54871	0.1
98.19871	0.2
106.58181	0.1
162.40996	0.1
299.76666	0.1
483.15353	0.4
484.15320	0.7
497.17117	0.2
498.17166	0.3
556.19086	0.2
557.18811	0.6
558.19147	1.5
574.15704	0.2
575.16174	0.4
589.17908	0.2
643.23407	0.1
644.22595	0.8
703.25745	0.3
704.23981	2.9
705.22736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94254	1.4
56.65131	1.2
59.01377	6.5
61.98828	14.9
64.08913	1.4
71.01376	4.6
71.05022	3.5
71.61916	1.7
85.02915	1.8
87.00893	2.5
89.02448	4.7
96.95961	1.2
97.02942	5.2
97.06570	3.1
99.00874	28.7
101.02431	4.9
109.06597	1.9
113.02413	2.1
116.40712	1.7
116.92837	1.6
119.03491	1.5
123.08128	1.9
125.09728	7.2
128.03508	2.1
142.02699	1.9
143.04608	2.2
151.67830	1.5
152.11980	1.6
152.95958	1.5
161.04591	1.7
163.11261	6.4
175.02444	1.4
181.12363	17.3
199.13440	8.7
207.10275	31.2
208.10614	2.1
214.93201	1.4
225.11311	51.5
226.11711	3.5
234.90640	1.5
243.12387	30.8
244.12743	3.1
306.07462	4.5
479.21457	9.0
621.76843	1.8
687.32489	3.4
705.33362	100.0
706.33746	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73626	0.8
55.01857	1.1
55.83625	0.7
57.03427	2.1
59.01382	8.2
61.98568	0.8
61.98833	8.5
64.50367	0.8
69.40320	6.7
71.01376	7.8
71.05004	2.8
72.99303	0.9
73.02943	1.3
83.01377	1.5
83.05029	1.2
85.02927	2.7
87.00853	2.8
88.94293	0.8
88.98797	1.2
89.02425	3.2
95.05023	1.0
96.95998	3.0
97.02977	4.8
97.06572	2.6
99.00884	24.5
101.02454	5.7
109.06596	1.0
113.02427	3.0
115.00336	1.0
116.92875	1.1
119.03473	1.6
123.08155	1.5
125.09729	7.5
127.11259	0.9
128.03526	0.9
135.08142	0.8
138.01918	1.4
142.02678	1.5
143.04579	1.0
161.04544	1.0
163.11285	9.2
174.01656	1.1
177.03384	0.8
181.12360	16.4
182.12677	1.0
197.11865	2.4
199.11688	1.0
199.13405	11.7
207.10272	30.3
208.10526	2.3
209.11792	0.9
210.08997	0.9
225.11316	48.7
226.11592	2.6
243.12361	28.1
243.14131	0.5
244.12639	1.8
306.07620	1.3
317.15973	1.0
318.51910	0.8
461.20261	1.3
479.21304	11.2
543.27551	1.1
661.31982	1.1
667.39581	4.2
687.32104	2.3
705.33344	100.0
706.33722	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	701.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02486	0.5
59.01382	100.0
67.72950	0.5
69.65167	0.5
69.65529	0.7
75.88610	0.4
88.97025	0.5
106.91882	0.5
107.72514	0.5
326.73285	0.5
363.47412	0.6
437.12378	0.6
438.13220	3.4
439.13873	0.8
451.14075	1.0
452.15054	2.4
453.15613	0.7
455.09888	0.7
467.13470	0.7
480.14526	1.2
481.15225	31.7
482.15549	7.1
495.16812	10.7
496.17062	1.2
497.18408	5.3
498.18594	1.3
514.14856	3.0
515.15405	0.6
523.16382	0.8
539.15601	2.0
540.16528	7.7
541.17218	1.3
552.89813	0.5
553.18030	0.8
554.17883	2.4
555.18854	58.3
556.19049	13.2
567.18640	0.8
572.15503	16.7
573.15729	2.9
586.17047	6.9
587.16840	1.1
609.19653	0.7
627.21106	1.2
641.11688	1.0
641.22620	25.8
642.22791	7.1
701.24658	62.0
702.24963	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	702.116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.9
61.98833	15.9
70.44073	4.6
85.02965	3.4
89.02438	2.3
96.63622	1.2
97.88320	1.6
98.66473	1.4
113.02450	3.1
151.00397	7.7
160.01747	1.2
161.02446	3.1
175.03941	1.6
178.99828	3.3
226.02763	3.5
227.03526	1.6
242.34782	1.3
243.03018	7.8
244.03391	1.5
251.09180	1.3
254.02229	5.2
255.02873	5.0
271.02469	53.1
272.03104	4.7
282.90280	1.3
300.02747	68.4
301.03455	25.8
302.03668	1.9
313.03549	2.4
455.73419	1.4
463.08832	100.0
464.09158	10.9
505.09677	2.7
535.10815	2.2
547.10980	1.7
578.07709	1.3
639.12012	41.2
640.12415	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	702.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85872	0.4
59.01384	0.8
61.98833	100.0
66.46888	0.3
70.96037	0.5
71.01387	1.3
72.27156	0.4
74.88818	0.3
85.02955	0.4
86.66675	0.3
89.02473	1.3
96.96031	0.7
101.02466	0.6
128.03612	0.8
131.58545	0.4
151.00568	0.6
153.63297	0.3
161.04611	0.4
170.49498	0.3
183.83919	0.3
242.02298	0.9
243.02977	0.9
257.04691	0.4
270.01669	2.3
271.02478	1.2
285.04150	1.3
286.04126	0.3
298.01468	0.5
299.02094	0.5
300.02737	2.2
313.03506	7.6
314.04199	2.1
315.05054	5.7
315.08368	0.5
316.05414	0.4
392.57040	0.4
476.10056	1.3
477.10391	7.2
477.17004	0.5
478.10907	0.8
519.11731	0.6
539.64874	0.5
639.15643	12.4
640.15790	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	699.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	27.7
62.95539	3.1
65.30409	3.1
70.52435	7.8
70.52792	5.2
77.90311	3.7
79.95731	4.5
84.88992	3.0
85.02950	3.8
85.05012	3.3
94.34351	3.5
121.76838	3.5
131.64867	3.1
171.10246	16.5
180.75169	3.4
197.11801	3.9
334.63257	3.8
423.61938	3.5
423.70938	3.8
433.16571	8.9
447.18427	5.8
461.16058	8.3
475.17410	17.1
476.18210	12.6
489.19165	10.2
490.19897	7.4
517.19440	4.2
520.17297	4.8
521.18365	10.7
534.19208	10.8
535.19781	37.1
536.20087	8.0
549.21344	23.4
550.21991	7.6
613.21228	46.7
614.21362	8.5
622.24200	12.0
623.25879	4.0
635.25000	33.5
636.25842	34.9
637.26349	4.7
699.24969	100.0
699.37579	6.8
700.25043	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	700.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.9
58.02972	6.4
59.01375	11.3
60.15203	1.9
61.98831	26.1
69.71444	11.3
71.01376	14.1
73.02942	2.6
74.02474	22.1
82.02983	3.3
83.01381	3.8
85.02956	4.3
86.02480	8.2
87.05644	3.4
88.98784	1.8
89.02442	7.8
96.96014	2.2
97.04066	2.3
99.00884	5.7
99.05645	16.3
101.02444	7.5
101.07167	2.2
102.05593	2.5
104.98353	2.0
109.04114	3.1
111.00866	2.1
112.04005	2.1
112.98822	19.0
113.02440	2.9
121.63235	2.5
127.05173	3.5
128.03539	55.5
129.03874	2.1
134.03719	2.0
135.05653	5.1
140.43637	1.8
141.06697	2.7
142.99890	18.7
143.04622	75.9
144.84433	1.8
145.06177	4.0
146.04584	7.1
153.06667	3.5
160.00751	15.1
166.09882	3.7
167.04613	3.5
167.08232	2.5
173.00941	13.6
174.01723	16.0
177.03384	6.7
179.04588	17.2
185.05664	3.9
197.05739	2.2
210.08823	19.3
254.07831	33.8
255.08078	2.2
272.08881	80.0
273.09296	4.8
279.00015	6.5
288.06696	14.7
306.07669	100.0
307.07883	7.4
354.39505	2.6
378.07736	4.4
380.09140	2.5
452.09958	14.4
557.14917	2.0
682.12488	2.9
700.13440	28.9
700.25464	3.5
701.13446	4.6
701.31262	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	700.152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96292	0.4
59.01384	3.6
60.01734	0.4
61.01796	0.4
61.98830	100.0
65.52713	0.4
70.80614	1.2
78.95910	0.4
80.25055	0.5
81.24661	0.4
95.23196	0.4
96.96037	1.1
143.89883	0.4
241.05112	1.0
256.07242	0.5
271.09869	1.3
293.82220	0.4
299.75632	0.5
333.24628	0.4
454.71036	0.5
706.14038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28373	0.3
52.20834	0.4
57.10934	0.4
58.00620	0.4
59.01389	5.5
59.25067	0.3
60.35514	0.4
69.76955	1.0
69.77365	1.1
71.01383	5.1
73.02934	0.6
85.02946	0.9
87.00859	0.7
89.02444	6.8
89.67084	0.3
90.02858	0.4
95.01378	0.5
98.19943	0.6
101.02466	3.0
104.99841	0.4
105.03430	0.6
112.04772	0.4
113.02476	2.2
117.03457	0.9
119.03510	2.5
125.02449	0.9
131.03493	1.1
132.02153	1.2
133.02959	28.3
134.03313	1.1
135.04541	3.6
161.02448	100.0
162.02777	4.6
179.03511	4.8
179.05618	6.3
180.03911	0.4
185.28067	0.4
203.03488	2.1
221.06575	0.6
242.93919	0.4
263.07721	0.5
323.07614	1.1
341.08929	0.9
383.09839	4.3
384.10266	0.5
443.11926	0.7
593.42493	0.4
647.17950	2.3
665.19348	22.6
666.19495	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	697.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74862	1.5
56.06345	1.4
58.00584	1.8
59.01379	46.9
60.25211	1.3
62.91787	1.4
70.06451	6.5
71.01382	34.9
71.82839	1.6
72.99297	2.5
73.02934	5.7
80.57018	1.4
81.79992	1.5
83.01379	3.0
85.02947	10.0
87.00871	2.6
89.02444	34.6
95.01382	4.8
97.02974	2.1
101.02441	27.3
108.02169	2.8
111.28220	1.4
113.02456	30.4
119.02899	1.3
119.03520	15.6
125.02434	4.6
131.03503	4.8
133.56418	1.3
134.03714	4.3
136.01666	93.2
137.01993	1.9
143.03500	6.6
149.04546	8.5
149.05988	2.4
150.64665	1.3
151.04002	100.0
152.04320	3.8
160.01656	3.4
161.04575	15.9
165.05412	1.4
175.03996	4.5
179.05602	44.4
189.93393	1.5
193.05040	5.5
203.05533	1.6
211.06122	20.6
221.06630	11.1
251.62172	1.6
251.82184	1.4
253.07170	3.1
265.06934	1.6
283.08371	1.8
355.10535	1.7
387.13644	1.7
397.11429	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	698.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.2
60.01725	0.5
61.98834	100.0
68.95143	0.5
78.95913	0.7
87.25282	0.4
91.18418	0.5
98.19880	1.0
197.32240	0.4
201.52341	0.6
260.73596	0.5
395.92786	0.5
698.32355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06079	0.4
59.01397	2.2
59.01637	0.4
59.01986	0.4
60.99310	18.1
61.98827	0.7
64.82826	0.3
70.90140	0.9
71.01391	1.3
83.01393	0.5
83.50517	0.4
85.02923	0.7
88.98809	100.0
89.02442	0.9
89.99163	1.0
95.01381	0.4
101.02437	0.7
113.02429	0.5
119.03507	0.5
130.64751	0.4
136.82890	0.3
151.00446	0.5
155.36975	0.5
177.67462	0.4
192.38879	0.4
227.03532	3.9
229.05054	1.6
239.03543	0.4
255.02980	7.1
256.03702	1.1
257.04565	0.6
284.03281	7.6
285.04028	14.0
286.04492	1.2
609.14624	22.4
610.15228	3.7
698.36670	0.5
699.38147	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	699.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20686	0.3
57.48375	0.3
59.01384	2.9
60.99308	16.1
61.98830	3.1
67.07850	0.3
69.90784	0.7
69.91200	1.2
71.01379	1.4
73.02930	0.5
77.92285	0.3
85.02966	0.5
87.00860	0.4
88.98807	100.0
89.02431	1.3
89.99125	1.0
96.64072	0.3
98.19963	0.5
101.02441	1.5
103.66314	0.3
113.02444	0.6
116.92818	0.5
149.04568	0.7
161.04546	0.3
197.22726	0.4
225.14828	0.3
227.03508	3.6
255.03004	6.3
256.03516	1.0
260.78781	0.4
283.02338	0.4
284.03259	9.2
285.03854	3.7
286.03870	0.4
308.29016	0.3
316.23764	0.4
368.74609	0.3
387.20346	0.5
453.34418	0.4
539.13184	0.4
609.14661	16.2
610.14886	2.9
611.14893	0.6
699.38562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.3
57.03444	3.1
58.00589	5.7
59.01381	98.4
60.01713	1.0
61.98824	2.4
64.48448	1.0
69.03462	3.1
69.25755	2.8
69.26180	6.1
71.01382	100.0
72.01711	2.1
72.99306	5.5
73.02949	26.8
75.00851	0.9
81.03452	2.5
82.64943	0.8
83.01389	13.7
85.02954	22.9
85.03449	1.9
87.00879	8.6
89.02444	87.0
90.02795	1.6
95.01380	9.0
96.96008	1.1
97.02951	15.5
99.00897	2.4
99.04509	1.0
101.02445	88.0
102.02789	1.8
111.00931	0.9
111.13876	0.8
113.02448	45.5
114.02811	1.0
115.04014	4.1
116.92807	1.2
119.03507	33.7
125.02420	3.1
129.50102	0.9
131.03499	6.6
143.03500	19.1
149.04556	3.4
151.00388	0.9
159.02948	1.5
161.04556	70.3
162.04887	2.7
179.05609	53.7
180.05986	1.4
183.04498	1.2
211.04065	1.1
220.09895	1.0
221.06676	8.7
227.03511	2.3
228.03900	1.2
255.02969	13.5
256.03336	1.7
263.07709	15.7
264.08005	1.5
279.06577	0.8
283.02478	27.7
284.03033	5.5
285.04037	32.0
286.04471	3.3
288.40314	1.0
327.05029	1.3
341.10782	1.4
353.10199	2.3
353.19458	1.7
390.99207	0.9
446.08481	3.6
447.09244	6.0
489.10458	8.9
515.24933	37.2
516.25311	5.5
651.15717	12.0
652.16119	2.5
695.21027	0.6
695.31299	15.3
696.31848	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	695.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23811	0.7
54.08119	0.8
55.53369	0.7
57.03446	0.8
58.52391	0.7
59.01379	22.9
61.98827	0.8
69.79865	1.2
69.80280	3.2
71.01385	10.9
72.99312	1.6
73.02944	0.6
77.73742	0.7
83.01403	1.6
85.02955	3.4
87.00883	1.0
89.02443	12.1
95.01389	1.4
98.20592	1.5
99.08160	10.0
101.02441	8.3
113.02446	5.9
119.03496	5.2
125.42259	0.7
127.07611	2.1
141.09241	1.4
145.08705	33.3
146.09088	1.0
161.04579	0.9
164.03384	0.7
179.05597	1.2
187.09814	1.3
255.03104	0.9
285.04108	1.2
294.08969	1.0
307.13980	100.0
308.14328	6.1
338.07971	1.0
341.10382	1.8
353.10342	5.8
354.10910	0.9
648.52606	0.9
681.10425	0.9
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
56.88840	0.2
57.93167	0.2
59.01380	100.0
60.01715	0.9
61.23893	0.2
61.98831	1.8
64.35427	0.2
64.84911	0.2
64.85988	0.2
69.29070	2.2
79.95750	1.0
80.96516	0.4
84.28475	0.2
84.64629	0.2
98.19778	0.4
121.02943	2.2
172.50281	0.2
191.03563	0.9
209.04602	1.4
315.86761	0.3
401.08823	0.3
515.50934	0.2
548.86316	0.2
593.13257	0.8
640.08759	0.3
697.39386	0.3
718.52112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.4
65.03897	2.2
71.01392	15.6
71.60204	2.6
72.99315	11.3
73.02935	4.1
75.00862	4.1
79.78867	2.6
81.69281	2.2
83.01428	2.9
85.02952	5.1
87.00884	4.7
89.02446	16.4
93.03474	13.2
94.96313	2.9
95.01389	2.4
99.14067	2.3
101.02442	9.4
105.03449	3.8
109.02930	8.1
113.02453	7.6
119.03490	6.6
121.02956	21.9
123.04551	7.9
125.02404	5.5
133.02930	7.0
134.03731	11.4
135.04500	2.4
136.01637	3.2
137.02451	56.6
138.02824	2.3
139.04045	5.0
147.00932	6.4
148.01717	2.3
149.02452	23.7
150.03180	8.6
151.03998	8.1
161.02458	14.4
161.04475	5.7
165.01930	19.2
165.05594	6.6
167.03464	4.7
175.00316	3.5
177.01964	12.7
178.35916	2.9
179.05621	25.7
193.01407	100.0
193.05046	15.0
194.01723	3.9
195.02956	4.6
207.22421	2.3
211.06116	50.0
212.06342	3.3
221.06650	4.6
245.22646	2.4
253.07175	3.9
679.16278	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	695.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.54795	0.3
60.01712	1.0
60.17813	0.3
61.98835	5.4
78.95908	13.5
78.96371	0.7
85.03632	0.3
98.20612	0.9
110.76797	0.3
120.12705	0.3
121.01212	0.4
135.00902	0.5
149.00099	0.6
152.99591	0.8
175.36757	0.3
179.67581	0.4
205.15929	1.2
258.70380	0.3
270.01785	0.3
279.23242	2.8
300.61728	0.4
306.44754	0.4
415.22375	0.7
427.19040	0.4
447.13580	0.5
492.42633	0.4
591.51123	0.4
623.34857	0.3
653.29248	0.4
695.31183	46.8
696.31512	10.4
696.43646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47863	0.6
51.88124	0.6
55.01889	3.3
57.03453	2.4
58.00600	6.3
59.01381	98.0
60.01718	1.4
61.98861	1.1
65.75005	0.7
69.03465	3.2
70.44484	2.2
70.44831	0.9
71.01384	100.0
72.01714	1.9
72.46577	0.7
72.99312	7.7
73.02947	25.6
81.03471	1.5
83.01391	13.5
85.02956	20.6
87.00874	9.3
87.01370	1.0
88.29538	0.6
89.02446	88.6
90.02794	1.4
95.01396	7.3
97.02959	16.9
99.00861	2.5
101.02447	87.4
102.02790	1.6
113.02455	43.9
115.04023	4.2
116.92853	1.8
119.03505	36.3
120.03775	1.0
125.02451	3.9
131.03505	8.3
133.05081	0.8
143.03502	17.9
145.02922	0.8
149.04523	2.9
151.00275	0.8
152.05278	0.7
158.27698	0.7
159.02885	1.3
161.04561	70.7
162.04849	2.5
179.05614	51.2
180.05894	1.4
183.04449	0.9
193.05017	0.8
206.74422	0.9
211.04126	0.7
221.06656	7.7
227.03456	1.7
243.02753	0.7
255.03021	8.9
256.03232	1.3
263.07730	14.6
283.02481	13.5
284.03015	3.9
285.04047	19.6
286.04288	1.2
295.96481	0.8
323.05249	1.0
327.05081	0.9
338.07761	1.9
341.10437	0.9
347.49088	0.8
353.10239	4.6
353.19330	2.9
404.27359	0.9
446.08246	1.8
447.08942	2.6
448.09027	1.2
459.80737	0.8
489.10284	4.9
490.10504	1.1
515.24945	37.1
516.25537	5.5
651.15747	5.6
652.15192	1.7
672.81732	0.7
695.31500	12.7
696.31378	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	695.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95347	0.5
52.29460	0.5
54.29672	0.5
59.01378	9.4
69.03524	0.5
70.79964	0.5
71.01380	10.7
71.60381	0.8
72.77150	0.5
72.99307	0.7
73.02953	1.8
75.90550	0.5
85.02960	1.7
87.00870	1.5
89.02449	10.9
95.01408	0.9
96.96957	0.5
101.02443	6.2
113.02456	4.7
119.03506	3.8
125.02421	1.0
131.03482	1.2
143.03558	1.5
147.00864	0.7
148.01666	7.9
150.03180	3.1
157.82890	0.5
161.04529	3.2
176.01143	65.4
177.01462	3.1
179.05617	14.1
191.03500	100.0
192.03860	5.1
194.02187	1.3
209.04543	5.2
221.06584	1.3
233.04628	2.8
251.05693	0.7
305.08749	1.0
353.08655	0.9
371.09930	1.5
381.55350	0.6
413.10825	9.2
414.11224	1.1
473.13037	1.0
533.17023	0.7
677.19464	1.1
695.20056	5.0
696.20306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.9
59.01382	9.9
61.98840	3.3
68.79167	0.5
69.29803	3.1
69.30232	2.3
71.01387	9.7
72.99287	0.9
73.02947	1.4
74.02465	0.6
74.96873	0.5
83.01398	0.8
85.02950	3.6
87.00893	0.9
89.02448	8.7
93.03479	0.7
95.01391	1.3
97.02952	0.6
98.20667	1.0
99.00884	0.7
101.02456	6.5
113.02452	9.7
119.03521	2.9
122.82254	0.5
123.04514	0.7
125.02413	0.7
134.03720	1.2
136.05194	0.5
136.16954	0.6
143.03516	1.3
145.02956	1.3
149.84528	0.6
160.01680	1.2
161.04565	4.7
175.04034	1.2
179.05652	4.0
193.05048	1.5
206.07393	0.7
207.08173	1.5
209.06078	1.0
221.06709	0.6
223.07591	2.0
227.03522	1.6
233.06100	1.3
234.06883	1.4
235.07588	2.1
236.08231	0.7
249.05489	0.6
250.06319	1.1
251.07124	11.1
252.07480	0.7
255.03032	4.2
261.05594	1.0
262.06412	2.6
263.07129	5.7
264.07858	4.3
265.08774	1.0
267.06537	2.1
272.09027	1.1
277.05103	1.3
277.08609	1.2
278.05807	1.3
278.09286	1.1
279.06631	18.3
280.06967	1.5
282.08902	1.2
283.09601	0.5
284.03320	3.5
285.03995	2.1
289.04962	0.9
293.08218	1.6
294.05655	1.1
294.08929	7.6
295.06140	6.3
300.02576	0.7
304.07309	1.4
305.04510	2.0
306.07867	1.0
307.05972	3.7
308.06931	1.3
309.07782	1.4
310.08502	2.4
320.06885	1.2
321.07724	1.8
322.08511	9.6
323.05637	19.2
323.09186	1.8
324.05945	1.7
335.09323	2.6
337.07208	2.0
338.07962	19.3
339.08340	1.6
341.10422	2.0
342.10693	0.6
346.10898	0.7
350.17752	0.7
353.10309	100.0
354.10684	10.3
371.11588	1.1
371.17068	1.8
395.11423	1.8
515.15875	1.8
533.16986	1.2
533.26080	1.1
550.93323	0.6
646.05420	0.8
651.15698	3.4
652.15991	1.2
695.21381	1.0
695.32062	3.1
695.50372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.4
61.25442	0.9
61.98823	2.9
63.02405	1.3
70.41630	1.7
70.41978	2.8
71.01386	5.1
81.17864	0.8
83.01385	1.2
84.47008	0.8
85.02976	1.3
89.02447	3.8
93.03467	1.6
98.19967	1.1
101.02437	4.0
107.01370	2.9
109.02950	1.3
113.02442	3.5
119.03501	2.4
134.03737	2.0
135.00891	1.1
151.00389	2.4
159.04495	1.4
161.04469	1.3
163.00368	3.0
167.04936	1.1
177.63979	0.9
179.05632	1.5
183.04451	1.0
185.06050	2.8
187.04004	3.3
192.55940	1.0
193.05045	2.1
199.03993	1.0
201.05547	1.4
211.04001	2.8
213.05620	1.6
215.08400	0.9
227.03474	23.5
228.03856	1.8
229.05049	11.3
239.03439	1.5
240.04178	0.9
241.04980	1.7
255.02985	42.2
255.06789	2.2
256.03494	5.1
257.04538	5.9
267.02979	1.0
271.02414	1.0
277.12201	1.2
283.02295	2.1
284.03247	46.6
285.04028	100.0
286.04373	7.3
309.04218	1.1
353.10358	3.6
506.84738	0.9
589.32556	1.0
591.13153	2.1
651.15637	57.0
652.15869	8.9
695.22040	2.7
695.34546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45341	0.6
59.01381	4.6
61.98830	2.0
63.02409	3.4
65.00315	1.3
69.68797	1.6
69.69223	2.4
71.01373	3.4
83.01382	2.6
83.21561	0.5
85.02966	0.7
87.00848	0.8
87.07844	0.6
89.02448	2.6
95.32928	0.6
96.96010	1.4
98.19933	0.9
101.02430	2.1
107.01384	6.1
107.87704	0.6
108.27214	0.7
113.02438	2.2
119.03489	1.0
132.02161	0.7
135.00836	0.9
137.72197	0.9
151.00372	15.4
163.00359	1.6
164.01117	1.7
169.01440	2.9
169.06667	0.8
179.05579	0.8
185.06085	1.4
187.03929	1.1
193.05081	1.3
198.39601	0.6
199.04015	1.2
211.04025	1.6
213.05519	1.8
220.92604	0.6
227.03514	12.6
229.05025	5.7
241.05077	1.5
251.07140	2.8
255.02969	30.0
256.03479	3.1
257.04575	8.4
263.07205	1.7
264.07864	0.9
279.06625	6.0
283.02414	1.2
284.03256	49.5
285.04028	100.0
286.04352	6.9
294.08975	2.7
295.06161	1.9
307.06097	0.9
322.08456	1.5
323.05566	4.0
323.09027	0.8
327.04996	1.9
338.07959	9.9
353.10294	22.0
354.10464	2.6
447.09280	18.3
448.09622	1.5
489.10376	50.3
490.10840	7.6
515.15747	2.1
533.16632	3.9
651.15765	1.2
695.21777	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	693.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70705	0.8
56.25193	0.7
57.03451	0.9
59.01379	100.0
61.98837	2.8
69.69003	0.8
71.09244	1.3
71.09603	1.6
83.05034	1.5
109.06596	0.8
131.61684	0.8
147.26517	0.7
161.86826	0.8
175.11278	0.9
203.51715	0.7
221.82808	0.8
365.24768	9.4
366.25214	1.1
373.25439	0.9
382.25131	1.8
383.25925	9.3
384.26117	0.8
391.26581	3.3
409.27545	4.8
439.94156	0.8
505.50732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32044	0.8
59.01379	4.1
61.98830	3.2
62.75570	0.7
65.00316	0.8
69.46051	6.0
71.01387	6.4
72.99300	1.0
73.02927	0.7
82.43719	0.7
85.02933	1.1
86.28762	0.7
89.02456	3.0
91.01910	1.2
93.03465	2.1
98.19897	1.4
101.02431	2.3
107.01400	3.1
109.02883	1.0
113.02454	1.3
128.03516	1.4
129.04062	0.6
134.03680	0.7
135.00874	1.5
143.05003	1.2
146.68788	0.9
151.00424	4.5
157.06598	1.1
159.04501	2.0
163.00328	3.3
166.02669	1.4
167.05086	0.9
169.06526	0.9
179.05692	1.1
181.05060	2.4
183.04579	0.7
183.08549	0.7
185.06078	3.7
187.04036	3.4
189.05621	1.4
193.05061	1.0
195.04457	1.1
199.04066	1.1
201.05522	0.9
211.04022	3.1
213.05576	2.1
227.03502	19.9
228.04128	1.0
229.05048	15.2
239.03426	1.6
240.04088	0.8
241.05125	1.5
243.02988	1.0
255.02991	38.1
256.03577	5.0
257.04559	8.9
258.04892	0.8
267.02969	1.2
284.03253	40.8
285.04037	100.0
286.04385	7.5
306.07861	0.8
353.10254	1.7
417.15561	5.0
651.15692	55.7
652.15887	9.2
695.32855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.1
59.01102	1.8
59.01381	32.7
69.03469	2.6
71.01386	44.1
71.31893	1.9
72.64032	1.4
72.99306	25.9
73.02960	9.0
75.00876	36.0
75.43011	1.6
83.01379	4.1
85.02956	38.4
86.15957	1.7
87.00881	13.0
89.02448	18.0
95.01389	6.8
97.02924	5.6
99.00876	10.7
101.02446	15.1
103.00366	10.7
111.00865	2.4
113.02447	48.1
115.00368	1.9
117.01929	2.3
117.03481	2.3
119.03494	3.2
125.02419	6.1
128.03482	2.0
129.01942	3.7
131.03493	7.7
132.02159	2.6
133.01393	2.6
134.03743	15.4
134.83862	2.3
139.00380	2.2
143.03467	2.2
157.01390	3.6
160.01610	13.4
161.02376	5.1
161.04579	3.7
175.02501	4.2
175.04012	5.7
193.03487	20.2
193.05067	7.1
217.03491	2.0
221.06595	1.7
235.04584	56.2
295.06741	18.0
337.07773	3.5
499.13062	87.3
500.13580	10.3
517.14105	100.0
518.14453	9.7
693.18811	84.4
694.19373	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	693.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
57.03450	18.1
59.01381	40.5
61.98831	34.1
63.96729	1.0
69.37675	7.2
69.63975	1.0
71.01384	32.2
72.99310	2.3
73.02956	5.1
75.00861	1.6
77.44902	0.9
81.03412	1.2
83.01389	4.3
84.40755	0.9
85.02953	14.5
87.00861	2.6
89.02443	21.9
90.36907	0.9
95.01377	3.3
96.96044	1.3
97.02943	1.0
99.00869	3.4
99.04507	8.3
99.24516	1.2
101.02446	26.5
102.02840	1.0
113.02454	21.7
115.00358	1.9
115.42220	1.0
119.03493	8.7
125.02452	9.0
137.07193	0.9
137.09747	1.5
143.03491	2.4
152.08434	1.0
157.69310	1.0
159.02989	1.8
161.04535	5.9
175.02473	1.8
179.05627	2.2
193.05182	1.1
197.15422	2.2
207.13893	3.6
225.14944	15.1
242.21552	1.1
301.03796	1.1
369.15045	1.5
369.19171	16.4
369.23477	1.5
387.20236	100.0
388.20599	10.3
429.21378	8.8
531.24127	12.2
532.24701	2.2
549.25513	59.4
550.25775	6.6
591.26605	6.8
600.38843	1.3
631.29034	1.2
693.29803	20.8
694.30139	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	690.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.98833	100.0
62.98547	0.3
69.95134	1.3
71.01404	0.4
103.86573	0.2
260.99246	0.2
291.19748	0.9
292.19965	0.6
306.07797	0.4
360.71368	0.3
366.79669	0.3
372.12589	0.3
397.13831	0.5
415.14633	0.4
546.23779	0.3
600.14044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
57.03448	24.1
58.00598	4.7
58.55331	1.8
59.01381	100.0
61.98830	9.5
69.03468	1.9
69.93882	1.8
71.01383	76.1
72.99302	4.5
73.02948	7.4
75.00871	3.9
78.95905	2.4
83.01389	6.0
85.02959	32.0
87.00893	6.2
89.02450	73.8
95.01395	14.6
96.96019	2.4
99.04527	11.9
100.25369	1.8
101.02449	51.5
102.02749	1.9
113.02456	67.4
119.03501	32.3
123.04555	2.5
125.02456	18.5
131.03497	7.8
143.03514	16.2
149.04530	8.6
161.04564	37.4
168.62027	1.7
179.05605	67.3
180.06035	1.8
205.12321	19.7
221.06639	6.1
264.81311	1.7
279.42923	1.9
280.33987	1.7
311.23132	1.8
323.09738	3.0
367.17691	6.4
385.18594	3.6
394.22940	1.9
476.14407	1.8
487.21725	3.1
531.28406	1.9
631.28040	3.2
691.27911	26.8
692.29852	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	691.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85309	1.9
59.01382	31.0
61.98832	22.3
69.03463	2.0
70.66783	4.7
71.01382	31.4
72.99305	4.4
73.02960	5.7
85.02956	8.3
87.00891	7.1
89.02442	29.9
92.82304	2.6
97.02952	5.8
101.02440	29.0
109.02940	2.1
113.02437	13.9
116.92896	2.5
119.03513	7.5
125.02453	10.3
142.13701	2.2
143.03525	4.5
157.08644	4.4
161.04584	4.8
173.00877	2.4
179.05577	5.7
183.08492	2.5
235.08156	10.4
235.17043	34.3
236.17444	2.1
253.09293	3.9
257.02377	2.3
275.20142	48.2
276.20609	4.3
287.07703	3.3
293.21243	100.0
294.21463	10.7
305.08731	5.2
397.08212	3.6
397.13501	74.3
398.13785	5.2
415.14651	43.4
416.14819	2.4
551.07849	2.2
583.63177	2.6
635.93011	3.0
691.34912	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	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84467	0.4
53.53583	0.4
58.00586	1.1
59.01381	13.1
61.98520	0.7
61.98832	11.4
69.03449	1.0
70.67545	1.3
71.01381	11.7
72.83759	0.4
72.99295	1.5
73.02937	1.3
75.00874	0.7
78.71558	0.4
81.03459	0.8
83.01393	1.6
85.02941	2.9
86.60418	0.4
87.00880	3.4
89.02444	11.3
94.83938	0.5
95.01360	0.7
97.02943	1.9
99.00871	1.1
101.02450	9.8
113.02451	4.8
113.09755	0.5
119.03515	3.5
121.02975	0.5
125.02460	2.9
131.03506	0.6
139.04056	0.4
143.03506	2.0
161.04558	2.1
179.05673	2.8
179.14395	0.8
183.10193	1.1
195.13899	7.0
196.14616	0.8
210.27600	0.5
214.75230	0.5
216.04720	0.5
221.06645	0.5
223.13397	5.2
223.17027	0.6
228.13655	1.0
235.08221	3.1
253.09317	1.2
256.13110	0.8
265.21890	0.6
275.20184	4.2
287.07739	1.0
293.21228	100.0
294.21527	10.3
305.08749	1.1
397.08279	1.1
397.13489	22.6
398.13681	1.4
415.14563	22.4
416.14859	1.5
606.42218	0.6
628.45068	0.5
691.34973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48200	0.6
58.02985	3.0
59.01383	4.0
61.98520	1.0
61.98833	17.3
64.95251	4.6
65.82344	0.6
69.31950	5.2
70.99644	0.9
71.01396	3.1
72.00905	1.6
72.99293	0.8
74.00713	0.9
74.02479	10.5
75.00874	1.0
82.02985	1.2
82.36285	0.6
83.01400	0.7
85.02965	1.8
85.04586	0.5
86.02493	5.4
86.06091	0.9
87.05656	1.7
88.04034	0.6
89.02443	1.2
97.04089	1.2
98.20579	0.9
99.00884	1.9
99.05652	9.4
100.00417	4.3
101.02441	1.7
101.07231	1.0
102.05596	1.4
104.98383	4.2
109.04102	0.9
112.04089	0.8
112.98806	5.5
113.02488	0.6
120.01252	0.9
123.05621	1.5
125.02432	0.8
125.03550	0.6
127.05123	1.8
127.08797	0.7
128.03543	31.7
129.03908	1.3
135.05620	2.0
136.95567	3.8
137.07236	0.8
141.06715	2.0
142.99884	3.5
143.04630	38.3
144.05013	0.7
145.01520	0.7
145.06195	2.4
146.02751	1.0
146.04591	4.7
153.06725	2.5
155.08366	0.9
158.85091	0.6
160.00749	9.4
166.09854	2.3
167.04628	3.0
167.08310	1.2
169.06165	2.5
171.07747	5.1
173.00906	6.7
174.01711	1.4
175.01802	2.4
177.03386	2.6
179.04601	9.3
181.06206	1.6
184.10959	0.8
185.05635	2.5
192.07774	1.2
195.34726	0.6
197.05661	1.2
199.07277	1.8
210.08855	10.8
211.09148	0.6
217.08351	0.6
228.09995	1.7
231.04558	0.9
242.07869	1.4
247.02795	2.9
249.03665	1.9
249.05807	1.2
254.07843	11.7
262.08676	0.8
272.08884	30.8
273.09247	1.9
284.03192	0.7
286.04916	1.3
288.06598	3.6
304.06146	5.5
305.08920	0.9
306.07663	34.3
307.07898	1.9
310.97202	3.3
346.10806	6.8
346.62704	0.7
347.11176	0.7
360.07028	1.3
378.07993	100.0
379.08243	8.8
411.06009	26.2
412.06155	2.8
629.38336	1.5
677.46222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05327	1.7
57.49128	1.8
58.02964	2.9
59.01382	9.6
61.98830	16.8
66.15502	1.7
69.42171	13.9
71.01371	7.2
73.04061	5.6
74.02480	8.2
78.95905	4.2
81.04541	1.9
81.99347	2.5
82.02974	10.8
84.00916	2.1
85.02939	2.5
87.05662	2.1
88.04050	2.6
89.02435	3.3
95.01384	2.7
96.96017	4.4
98.02491	16.7
98.19875	2.7
101.02448	5.1
109.02917	2.7
109.04075	5.3
110.02473	2.1
112.04042	3.3
113.02450	5.6
113.03598	2.8
115.05136	2.1
116.03578	8.9
123.05682	3.3
124.04048	3.1
125.03582	1.9
126.01987	3.5
127.05141	44.5
128.03542	100.0
129.03894	2.6
134.03773	2.3
135.04553	2.2
138.05606	5.1
139.08720	2.5
141.10382	2.1
143.04637	3.4
145.06165	3.7
146.04579	7.7
148.87410	1.9
152.07140	4.6
153.03059	6.5
153.06728	2.0
156.70229	2.0
165.06703	2.8
166.08727	4.1
167.04597	6.4
169.09845	9.5
173.05743	3.0
181.06178	20.3
181.09760	2.6
184.07170	2.3
185.05624	4.2
194.09334	5.5
208.27371	2.2
209.09300	7.5
213.08809	18.7
236.14090	9.2
237.12352	4.9
238.08344	4.3
280.12888	3.8
306.07751	3.8
312.15631	19.4
315.83887	1.9
370.81583	1.9
441.19995	17.5
464.09100	2.6
498.22278	5.4
542.24951	3.3
615.26410	8.1
627.26337	13.5
645.27295	45.1
646.27991	9.4
659.29144	9.2
671.29706	10.0
689.30078	74.7
690.30750	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	689.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78321	1.3
56.19881	1.0
56.36729	1.1
57.03428	2.0
59.01380	7.2
61.98834	18.6
70.74632	1.7
70.74968	1.9
71.01398	5.6
71.05021	2.1
72.87074	1.2
75.05064	1.0
78.95937	1.8
83.05029	1.1
84.01678	1.2
85.02978	1.5
87.00895	2.0
88.98795	3.3
89.02458	2.9
96.95995	1.6
97.02934	3.5
97.06538	1.9
99.00889	18.0
101.02443	3.9
113.02443	2.8
125.02544	1.1
125.09688	4.5
136.01604	1.1
143.03485	1.3
161.04518	1.6
163.11305	8.2
165.12796	3.9
165.43005	1.2
171.10265	1.3
175.02464	1.2
181.12329	12.6
183.13898	22.5
185.60638	1.1
187.84196	1.2
199.13425	10.0
207.10252	25.5
208.10493	1.5
209.11752	1.7
225.11304	33.7
226.11681	2.3
243.12352	22.1
244.12566	2.3
253.09325	2.7
271.80054	1.3
291.19785	2.5
463.21616	1.9
479.21115	6.4
527.28552	3.8
645.34985	5.1
646.34705	1.6
653.25146	1.5
671.32843	4.6
689.33820	100.0
690.34259	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	688.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.7
61.98836	4.4
63.02380	0.8
65.00314	1.5
70.92078	1.6
71.01378	2.1
81.47343	0.6
83.01387	0.9
89.02428	1.4
96.96017	1.1
107.01387	2.9
108.02174	1.2
109.02955	1.2
109.91050	0.7
113.02449	1.4
119.39635	0.7
121.02966	2.1
125.02470	0.9
135.00865	0.7
147.04318	0.6
148.01717	1.1
151.00359	11.0
153.01987	0.8
155.33722	0.7
163.00356	2.2
175.74667	0.7
178.99854	6.0
207.39578	0.7
211.04028	0.9
226.02678	1.2
227.03494	2.3
243.02946	7.4
254.02242	1.6
255.02972	20.9
256.03445	1.5
271.02469	44.2
272.03006	4.0
273.03946	0.9
283.02451	1.5
291.16110	0.8
299.01965	1.6
300.02750	80.4
301.03464	33.2
302.03809	2.0
439.15994	0.8
471.02515	0.7
625.14081	100.0
626.14398	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	688.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22172	0.8
52.60310	0.8
57.09022	0.7
59.01378	1.8
61.98830	6.8
71.01381	2.4
71.82374	0.8
83.01440	0.9
86.69576	0.9
89.02428	1.4
107.01392	2.0
108.02180	1.7
121.02917	1.4
128.03564	1.0
143.04643	1.1
148.01682	1.0
151.00391	6.9
161.02364	1.0
178.99818	5.1
216.04253	0.9
226.02652	1.6
227.03458	2.2
243.02985	8.1
254.02106	1.7
255.02975	23.5
256.03354	2.1
271.02475	54.0
272.02829	4.4
299.01871	4.2
300.02744	100.0
301.03317	20.2
444.15567	0.9
447.19141	1.0
463.08838	8.8
464.09186	1.1
625.14099	88.1
626.14380	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	687.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06714	0.9
61.98830	8.1
62.40061	0.9
66.21840	0.8
70.21461	2.3
71.01366	5.3
77.61420	0.9
89.03985	1.8
96.96007	1.0
111.39468	0.8
115.00368	17.2
117.03464	7.1
121.02918	1.2
127.69579	1.0
129.01955	4.0
133.02937	5.7
134.03741	100.0
135.04434	6.6
137.02434	2.9
149.06105	7.8
178.02660	2.4
179.03473	9.1
185.06068	2.0
193.05052	84.5
194.05362	3.8
195.04532	1.4
200.32393	0.9
212.04807	1.0
213.05551	8.7
223.03960	2.0
224.04710	1.6
227.32091	0.9
241.05049	27.5
242.05464	1.5
256.07422	14.4
257.07852	2.5
265.07175	23.2
266.07425	1.6
269.08267	1.4
271.09772	26.9
272.09995	2.0
284.10391	1.4
297.11160	1.5
310.08319	2.1
325.10721	2.0
326.11145	1.1
328.09372	1.6
343.11856	84.6
344.12161	7.7
415.14066	1.7
618.46893	1.0
660.91339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03428	1.6
58.00583	0.7
59.01380	36.3
61.98828	3.8
69.52004	2.6
71.01382	16.4
72.99294	1.3
73.02943	5.0
75.00872	0.5
78.95898	0.5
83.01380	3.2
85.02949	9.0
86.37355	0.5
87.00877	2.7
88.09488	0.4
88.98817	0.7
89.02445	5.9
95.01379	1.6
98.19894	0.9
99.00893	2.4
101.02443	14.3
111.00918	3.0
113.02454	5.8
116.92906	0.4
119.03483	1.5
125.02414	0.7
129.01973	1.0
143.03313	0.4
151.00391	0.6
159.03009	2.1
161.04510	1.7
286.73947	0.5
299.58322	0.4
320.58130	0.4
333.24463	0.8
349.23636	0.4
355.34277	0.5
373.34619	0.5
379.47339	0.5
389.26773	0.5
429.30124	0.5
447.30942	1.1
465.32208	16.8
466.32556	2.9
627.37463	100.0
628.37854	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	686.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84053	0.6
58.60595	0.6
61.98833	100.0
63.48310	0.7
63.96239	1.6
71.52389	1.1
79.95758	2.8
96.24556	0.8
107.51099	0.7
112.39165	0.6
194.08177	0.7
255.73468	0.7
321.39816	0.7
411.38202	0.7
415.57883	0.7
687.45709	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	685.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	4.6
66.03493	0.9
70.02956	0.6
70.20632	0.5
74.02474	11.4
82.02997	1.8
86.02482	3.5
86.99089	0.9
87.05653	3.0
90.00208	0.9
97.04071	2.1
99.05649	9.1
100.00411	0.9
101.02456	1.2
101.07184	1.0
102.05616	1.4
105.99648	0.7
107.06181	0.9
109.04089	0.9
109.07697	0.7
111.05640	0.9
112.04047	1.6
116.01771	0.9
117.03458	4.5
119.05018	0.7
121.03963	0.6
123.05664	0.8
125.03597	1.0
126.02045	0.8
127.05104	1.7
128.03545	32.1
129.03925	0.9
129.99638	0.8
135.05641	2.5
141.06717	3.2
143.04631	37.1
144.04967	1.4
145.02954	12.0
145.06178	1.5
146.04608	4.7
153.06682	2.6
155.08189	0.7
160.00749	9.6
161.04646	0.9
163.04073	1.1
166.09839	1.6
167.04637	3.0
167.08270	1.6
169.06184	1.4
171.07729	0.8
175.01855	0.9
177.03410	3.0
179.04588	9.4
181.06195	1.3
185.05699	1.8
192.07806	0.6
197.05614	1.5
199.81146	0.6
210.08855	9.9
242.07774	0.9
254.07791	9.1
272.08875	20.9
273.09180	1.2
288.06503	3.3
304.06091	5.7
306.07654	100.0
307.07925	4.7
338.04816	7.3
378.08081	3.0
412.06842	1.5
529.15558	1.7
556.12299	1.7
565.90979	0.6
589.34546	0.6
610.49152	0.6
633.71088	0.7
649.20032	3.1
685.16461	13.7
686.16620	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	685.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	26.3
61.98827	17.9
71.01391	21.4
71.61434	5.1
73.02959	6.9
85.02933	4.6
87.00864	5.6
89.02444	17.6
92.87694	4.3
97.02955	5.9
101.02437	22.6
113.02448	10.3
119.03573	10.2
125.02489	8.2
134.03757	10.8
143.03429	5.8
161.04553	4.9
193.05025	3.8
227.20169	74.2
235.08179	11.1
253.09090	4.3
297.89426	4.6
328.28372	4.3
397.13531	100.0
398.13647	8.5
415.14560	24.4
551.01642	4.6
685.23560	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	685.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58043	1.9
58.02971	4.3
59.01387	11.2
61.98828	39.2
70.19975	1.7
71.01382	7.1
73.04053	2.7
74.02499	1.8
78.95896	2.4
80.05053	2.4
82.02988	8.7
87.05631	3.3
88.04031	5.0
89.02469	2.2
94.06624	4.1
96.95997	2.2
99.00883	2.1
101.02444	5.8
103.67226	1.9
109.01664	1.8
109.04058	5.8
110.02435	2.1
112.04035	4.9
112.98809	2.0
113.02496	3.4
115.08784	26.5
116.92860	2.2
124.04045	10.3
125.07140	2.8
126.05730	1.8
127.05143	35.6
128.03563	13.1
129.06720	5.6
130.08740	5.9
135.04517	2.5
137.06163	2.2
137.07210	28.9
138.05573	5.0
140.07181	18.5
141.06699	6.5
148.05315	4.1
150.06784	5.1
150.12813	2.4
154.09880	15.9
155.08260	4.7
155.09990	2.5
161.04581	2.7
165.05461	1.9
166.06206	6.8
167.04616	12.8
169.13448	5.3
172.10907	16.4
174.01631	2.0
178.05038	3.5
179.49509	2.0
180.07791	5.2
181.06203	4.3
181.13512	2.0
183.15033	4.4
184.07277	7.9
186.12399	2.3
194.11827	3.7
196.10933	10.1
198.08876	11.0
208.10867	11.6
211.14459	12.4
214.11961	10.2
222.12471	2.4
225.44737	1.7
226.11984	10.5
243.14755	2.0
249.05728	2.0
250.19853	2.0
254.11392	5.7
265.13049	47.2
266.13409	2.7
266.22351	6.5
283.14084	40.6
284.14545	2.2
297.15671	3.3
306.07520	3.3
337.18524	2.5
342.13577	13.7
343.13348	2.9
354.17789	5.9
355.09122	2.0
368.21957	2.6
441.27145	20.7
453.27090	24.8
454.27142	2.5
478.26614	8.0
492.20490	2.4
510.29306	100.0
511.29926	15.0
524.30853	7.0
554.32062	7.7
581.32928	17.6
623.34015	6.0
641.35193	47.9
642.35199	9.0
667.37604	2.4
685.37701	72.6
686.38470	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	683.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03448	1.3
59.01380	15.9
60.03171	0.8
61.98831	8.6
71.01383	12.3
73.02944	2.8
78.95893	1.9
83.01331	1.5
85.02968	4.7
87.00856	2.8
88.98781	0.9
89.02452	6.8
95.01360	0.9
99.00879	1.2
101.02454	7.6
113.02477	4.3
119.03499	2.4
119.05035	0.8
128.03525	1.9
138.53241	0.7
143.03514	0.7
143.04620	1.2
161.04515	1.6
173.00928	0.8
178.05894	0.8
179.05707	1.1
181.09676	0.8
215.70369	0.8
289.81631	0.8
306.07791	1.2
313.24063	1.7
315.04968	1.0
335.42529	0.9
336.76926	0.7
341.26965	3.4
359.27991	14.2
360.28094	1.4
407.58447	0.8
503.32159	8.2
504.32452	1.4
521.33295	100.0
522.33704	16.0
618.34973	2.9
618.85034	2.2
644.58881	0.8
683.27692	1.2
683.38397	7.3
684.39795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13795	1.7
57.03448	3.9
59.01378	3.3
60.69502	1.5
61.98819	6.4
71.01370	4.7
85.97473	1.5
87.00939	1.8
97.06596	11.8
101.02447	3.6
113.02444	1.9
123.08161	9.4
125.09735	82.6
126.10039	3.5
145.05109	2.8
161.04514	2.6
187.09753	32.9
226.05125	1.6
253.09296	3.1
277.21735	45.1
278.22089	3.0
405.17603	3.7
423.18701	4.4
558.99933	1.7
683.40118	100.0
684.40564	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	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05529	1.6
57.03436	4.0
59.01365	6.8
61.98849	9.0
71.01378	4.4
71.61655	3.4
72.28114	1.7
76.30428	1.7
78.95923	4.3
89.02428	5.1
89.71737	2.0
97.06580	11.9
101.02442	2.8
101.10544	1.8
118.83546	1.8
123.08157	7.5
123.79250	2.0
125.09728	100.0
126.10043	4.0
152.99458	2.5
161.04524	2.2
187.08069	3.8
187.09750	79.6
188.10121	3.2
243.24268	1.9
253.09309	2.2
277.21707	17.9
308.56232	2.1
362.46790	1.9
405.17630	6.4
423.18631	18.2
463.47556	2.1
683.40088	92.5
684.40607	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	683.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.5
61.98840	5.2
70.23192	10.0
71.01398	12.4
73.02943	3.5
74.27020	2.2
80.91699	8.0
85.02970	3.2
87.00879	5.1
89.02460	8.2
99.88574	2.8
101.02451	7.3
109.06604	2.6
113.02435	2.8
119.43326	2.3
137.09721	3.0
145.05060	3.4
161.04599	4.0
171.10280	7.2
179.05609	3.6
200.42581	2.3
235.08232	7.0
265.18015	2.2
277.21777	2.9
315.27036	2.8
325.25394	3.1
341.10797	2.5
341.24716	3.1
343.26584	5.2
351.23276	2.4
359.25793	5.2
369.24344	7.0
382.78137	2.5
387.25488	37.4
388.25763	6.7
405.26437	25.1
544.49127	2.9
595.34564	3.3
623.34320	100.0
624.34766	21.3
683.42841	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	683.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
57.03453	2.5
58.00591	1.4
59.01384	24.9
61.98831	4.0
69.03455	0.6
70.35661	0.8
70.36053	0.7
71.01389	28.1
72.01715	0.4
72.99294	2.1
73.02954	6.6
75.00868	0.6
78.95914	1.8
78.96819	1.5
79.95762	0.5
83.01394	5.2
85.02434	0.6
85.02953	12.8
87.00876	2.5
89.02451	12.7
89.02996	0.8
94.91780	0.4
95.01390	2.5
96.96022	4.7
96.96968	1.2
97.02943	0.6
98.20545	0.5
99.00887	2.7
101.02453	21.7
111.00872	2.5
113.02454	9.4
119.03506	4.0
121.10282	0.4
125.02432	0.7
127.11308	0.5
129.01904	0.9
131.03494	0.5
134.03766	0.6
137.09724	0.6
143.03522	0.8
155.10725	0.9
157.12296	0.9
159.02945	1.0
161.04561	2.5
174.01823	0.4
179.05666	0.9
183.13892	1.1
193.05241	0.3
201.14987	1.8
230.15405	0.4
242.13542	0.4
269.05823	0.4
308.40875	0.4
319.17365	0.6
359.28027	5.4
360.28479	0.5
363.20001	0.9
368.82611	0.5
392.20477	0.8
503.32404	2.2
521.33350	10.4
522.33643	1.6
532.62115	0.4
547.49792	0.4
576.26978	0.5
628.63513	0.4
633.77704	0.4
665.38336	0.6
683.38599	100.0
684.38983	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66206	2.4
55.40776	2.2
59.01382	43.3
61.98837	8.6
65.89295	2.1
71.01384	11.3
73.02935	4.0
80.71985	2.3
80.91698	3.1
85.02931	4.1
87.00891	5.0
89.02463	8.9
101.02464	12.2
113.02468	5.4
123.30236	2.3
145.05167	2.8
161.04660	2.9
171.10327	16.1
235.08247	8.0
265.92276	3.1
275.20135	2.6
277.21814	2.7
293.21286	6.7
325.25351	2.7
341.24539	3.3
343.26489	5.2
351.23279	3.8
359.25992	6.7
369.24271	8.3
387.25430	35.7
388.25534	2.6
405.26462	24.0
586.32300	2.5
605.33258	3.1
623.24152	5.0
623.34369	100.0
624.34589	20.6
657.30273	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	683.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.5
58.00594	3.2
59.01091	4.5
59.01384	77.1
59.26177	2.3
61.39938	2.1
61.98830	34.4
68.99838	2.0
69.03455	2.5
71.01388	68.4
71.61578	2.9
72.01721	2.4
72.99312	5.3
73.02952	20.8
75.00871	2.2
83.01376	11.0
85.02959	26.4
87.00877	9.4
87.49026	2.4
88.98826	3.1
89.02442	41.6
95.01407	6.4
97.02960	4.5
99.00874	6.0
99.04497	3.4
99.05673	2.6
99.92591	6.9
101.02447	58.6
101.03086	4.1
103.04014	2.6
113.02447	26.5
119.03513	17.3
125.02532	5.6
127.04040	2.9
128.03520	6.6
131.03494	5.0
139.95778	2.4
143.03491	11.1
143.04561	3.9
145.05066	13.7
148.65263	2.6
161.04541	10.7
163.06122	7.6
171.10220	2.4
173.00830	2.6
175.02594	3.2
179.05673	18.4
205.07179	10.3
247.08130	3.9
255.03001	9.6
283.02509	18.9
285.04031	6.5
299.02054	3.1
306.07666	6.3
313.23801	2.7
325.11313	2.3
341.27032	3.1
359.28156	7.7
367.12451	49.1
368.12549	4.1
393.59940	2.3
397.13474	3.1
427.14478	4.5
430.09036	2.8
461.23828	16.3
503.32416	9.0
511.69720	2.5
521.33301	26.8
617.73303	2.8
618.35614	3.0
623.29193	100.0
624.29907	14.1
647.16382	12.4
683.38660	96.1
684.39154	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
57.03437	7.2
58.00590	3.7
59.01382	100.0
60.01731	2.2
61.98832	26.5
64.55447	2.0
69.03442	3.1
69.51685	8.6
69.52113	10.3
71.01383	83.7
72.99286	10.1
73.02956	30.3
75.00859	4.5
75.91298	2.1
78.95932	4.0
83.01393	11.6
85.02950	32.0
86.00101	3.2
86.98243	2.2
87.00870	12.0
87.04490	3.1
88.98801	4.1
89.02440	47.2
95.01405	6.3
97.02953	3.2
98.20555	5.0
99.00874	5.9
99.04541	2.5
101.02444	76.8
103.04021	14.4
109.02943	2.3
111.00848	4.0
113.02449	26.8
113.67767	2.5
115.03978	4.9
119.03505	16.7
125.02438	5.2
127.03973	4.2
131.03490	9.4
143.03529	12.6
143.04488	2.4
145.05069	20.4
152.01050	2.7
161.04594	15.4
161.05789	3.3
163.06088	10.0
175.04028	2.3
179.05626	26.0
185.61580	2.1
193.05061	2.4
205.07153	8.2
221.06732	3.1
225.50485	2.2
247.08257	6.7
265.09155	3.1
307.10333	2.9
315.25522	5.3
325.11508	5.3
359.27844	3.5
367.12424	68.5
368.12704	3.5
397.13031	4.0
427.14346	6.1
461.23962	15.3
477.30786	8.7
521.33264	20.9
563.34406	4.4
623.29150	100.0
624.29510	15.9
683.26898	5.7
683.38544	81.7
684.39124	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	683.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60335	0.6
52.32104	0.6
57.03447	0.8
57.16502	0.7
58.00590	1.8
59.01381	44.5
60.01708	0.7
71.01385	32.6
71.60245	0.8
72.01755	0.9
72.99301	1.4
73.02929	0.9
76.27187	0.6
83.01384	1.9
85.02950	5.4
87.00879	2.1
89.02447	42.0
95.01388	2.0
101.02437	15.9
113.02455	12.8
116.62968	0.5
119.03497	13.3
131.03503	1.5
143.03540	3.2
149.04532	1.7
161.04619	3.7
179.05621	19.3
180.05888	0.7
191.77528	0.6
341.10886	100.0
342.11237	7.2
509.52673	0.7
511.48834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
58.00589	1.2
59.01379	42.0
66.93419	0.5
70.27653	1.2
71.01384	30.8
71.86524	0.4
72.01716	0.5
72.52371	0.4
72.99297	1.2
73.02940	0.8
83.01386	1.0
85.02957	4.0
87.00878	1.8
89.02445	42.0
90.02761	0.7
95.01390	1.6
98.19837	0.6
101.02444	16.7
113.02450	12.8
114.02802	0.5
119.03506	14.2
120.03836	0.4
131.03514	2.1
143.03496	1.8
149.04564	1.4
161.04549	4.0
172.19603	0.5
179.05612	17.0
341.10870	100.0
342.11255	7.0
404.96735	0.5
627.45111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.4
61.98831	41.1
71.61963	1.8
78.95875	1.8
81.00050	1.7
81.00611	1.5
88.98829	4.0
110.04459	1.7
113.02528	1.9
121.02949	7.5
121.07957	1.5
123.04480	2.4
125.89926	1.6
133.05379	2.0
134.03740	56.7
135.04596	11.8
149.04892	3.1
149.06087	29.1
150.71947	1.7
159.04556	1.9
165.37886	1.6
176.03438	2.4
192.06668	2.9
194.07495	2.0
221.38496	1.8
237.05557	2.8
239.07037	8.2
249.05531	2.7
251.03487	1.8
267.06580	20.2
268.07242	3.4
279.06583	2.7
280.07565	4.1
281.08102	7.4
282.08994	23.3
283.09747	10.5
296.10449	9.3
297.11322	33.3
298.11581	3.9
308.09445	2.1
310.07162	4.3
325.09335	1.9
326.10223	2.2
338.10312	2.5
340.12045	2.5
382.12921	3.4
458.15939	2.9
460.13980	17.3
461.14090	4.1
475.16504	13.4
476.16913	2.0
490.18735	100.0
491.19153	12.6
516.16852	4.0
536.17328	2.1
683.25989	48.8
684.26013	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	680.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64681	1.0
59.01375	6.6
59.96505	0.9
63.96255	1.0
70.99612	27.0
71.01398	7.4
71.59795	0.9
72.99297	1.3
73.02951	1.0
74.00706	2.9
76.97051	2.5
85.02969	1.3
87.00888	2.5
89.00671	100.0
89.02459	10.5
90.01041	1.5
100.20987	0.8
101.02464	4.4
112.04024	1.2
113.02461	3.7
119.03499	1.3
134.99995	4.4
135.98398	2.2
141.25421	0.9
143.03499	1.4
161.04521	2.2
175.04044	1.3
176.03867	51.4
177.02318	9.4
177.03848	1.3
179.05626	9.2
196.41748	1.0
221.06764	1.6
221.91891	0.8
243.61765	0.9
323.09885	2.2
341.10577	1.1
373.74622	0.9
503.16217	25.2
504.16489	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	680.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31633	0.2
59.01381	0.6
61.98830	100.0
77.10872	0.2
89.12186	0.2
93.35669	0.2
98.20692	0.3
128.03558	0.4
143.04570	0.3
149.67287	0.2
190.00410	0.2
306.07718	0.6
468.96503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
58.22177	0.2
59.01383	1.6
63.02405	0.5
63.21760	0.2
65.00319	0.9
68.82146	0.2
69.49988	1.5
71.01384	2.6
72.99321	0.4
83.01379	0.7
85.02963	2.1
87.00874	0.7
89.02456	0.7
93.03497	0.2
95.01389	0.7
95.93480	0.2
99.00879	0.9
105.96985	0.2
107.01376	1.6
108.02199	0.5
109.02956	0.7
110.95810	1.1
113.02445	2.1
115.00368	0.4
117.01944	0.3
117.03481	2.1
119.01349	0.2
119.05040	0.6
121.02955	0.7
125.02478	0.4
134.03741	2.0
135.00882	0.4
137.02426	0.5
145.02954	10.5
148.01718	0.2
149.02487	0.4
149.06094	0.8
151.00383	6.3
161.02437	0.2
162.32803	0.2
163.00381	1.7
163.03984	1.3
164.01178	0.4
169.01421	0.4
172.05212	0.4
174.03249	0.7
175.00386	0.3
175.02550	0.4
175.04005	0.4
178.02742	1.2
178.99847	3.7
183.04466	0.3
187.03981	0.8
188.04791	0.3
190.99933	0.3
193.01357	0.3
193.05075	4.5
198.03233	0.6
199.04010	0.9
200.04597	0.3
203.03488	0.3
211.04080	0.2
213.05710	0.2
215.03484	0.5
216.04237	0.7
226.02754	4.3
227.03493	2.3
228.04167	0.3
229.04982	0.2
243.02975	11.8
244.03391	1.4
245.04538	0.4
249.10051	0.2
253.01218	0.2
254.02176	5.1
255.02979	7.0
256.03421	0.6
268.03549	0.3
269.04242	0.2
271.02472	57.0
272.02951	5.3
283.02411	0.5
284.03113	0.2
285.03992	0.7
299.01968	1.4
300.02750	58.0
301.03433	20.0
302.03870	1.3
313.03522	0.5
314.04370	0.5
325.09308	3.8
326.09445	0.2
337.03458	0.2
342.03586	0.3
343.04581	0.5
355.04361	0.2
355.10321	0.8
445.07556	0.7
463.08667	0.4
476.06067	0.3
477.06711	0.3
505.09888	100.0
506.10208	12.1
547.11017	2.1
548.11023	0.4
575.10468	0.5
577.11938	2.1
578.11835	0.3
589.12000	0.5
601.12323	0.5
681.13043	7.5
681.24719	0.4
682.13043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98162	0.4
58.00593	0.9
59.01382	17.3
66.54954	0.4
67.57958	0.4
69.56355	2.4
69.56757	0.9
71.01386	16.0
72.99335	0.8
73.02944	3.4
77.08826	0.3
83.01392	0.9
84.39081	0.4
85.02957	4.5
87.00883	1.7
89.02445	17.8
94.86620	0.4
95.01382	1.6
99.00881	1.0
101.01775	0.5
101.02446	9.0
113.02457	9.6
117.03460	0.7
119.03514	7.6
125.02438	1.8
131.03506	2.0
132.02179	22.2
133.02467	0.6
134.03751	11.0
143.03519	2.3
147.04485	0.8
149.06075	1.5
160.01662	80.0
161.01999	4.0
161.04556	5.2
175.04004	100.0
176.04367	5.2
178.02754	0.7
179.05614	20.6
180.05945	0.7
182.64954	0.4
191.07118	1.9
193.05057	20.4
194.05362	1.0
202.02766	0.5
207.06647	0.6
217.05061	5.1
221.06636	2.8
235.06110	12.4
236.06494	0.5
247.06131	1.1
259.06161	2.0
265.07147	2.8
277.07352	0.4
295.08063	0.8
305.08658	0.6
324.10361	0.4
337.09116	1.6
355.10355	3.7
397.11395	28.5
398.11606	2.8
439.12167	0.9
457.13632	0.8
524.34052	0.5
547.29584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.5
59.01381	10.1
62.27538	0.4
69.71296	1.8
69.71716	0.5
71.01385	11.5
73.02939	2.1
74.04895	0.4
76.13080	0.4
83.01383	0.5
85.02951	2.7
86.82246	0.4
87.00886	1.7
89.02448	10.2
95.01388	0.9
97.02952	0.5
101.02443	9.9
104.02760	0.5
113.02445	5.2
117.03534	0.5
119.03514	4.6
125.02448	1.7
131.03506	1.8
132.02174	21.4
133.02513	0.8
134.03745	12.0
135.04108	0.7
143.03513	2.3
149.06064	1.3
160.01663	74.7
160.33026	0.4
161.01982	3.2
161.04556	3.9
166.05823	0.4
175.04007	100.0
176.04375	4.6
178.02718	1.3
179.05606	14.4
190.01471	0.5
191.07137	1.5
193.05060	19.6
194.05376	0.8
202.02682	0.5
217.05077	6.1
221.06609	3.7
235.06105	4.8
236.06685	0.5
247.06166	0.9
255.12018	0.4
259.06033	0.5
265.07184	1.0
295.08289	2.5
305.08853	1.1
323.09726	1.3
341.10962	2.9
355.10422	0.8
383.11929	3.1
397.11267	2.3
421.92053	0.4
427.12247	0.7
457.13397	1.2
499.14700	1.1
517.15808	0.9
559.16693	15.0
560.16754	2.3
679.21100	3.9
680.20502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.6
69.28689	5.6
69.28983	0.4
71.00990	0.8
71.01385	14.3
73.02949	6.8
83.01387	2.7
85.02956	4.3
87.00858	1.9
89.02447	7.9
95.01379	1.5
97.02953	2.9
99.00869	0.5
101.02449	13.4
103.96114	0.5
106.83885	0.5
111.01003	0.5
113.02451	6.6
115.03950	0.6
117.03453	0.5
119.03499	3.3
120.11361	0.5
125.02382	1.3
131.03493	1.9
132.02182	25.7
133.02583	0.7
134.03745	14.3
138.02054	0.5
143.03491	3.4
149.06096	1.7
160.01662	91.5
161.01968	3.6
161.04559	13.9
174.03304	0.6
175.04008	100.0
176.04361	4.3
178.02672	0.9
179.05623	9.2
191.07138	2.2
193.05060	23.2
194.05334	1.2
202.02681	1.0
217.05028	6.2
221.06616	3.5
235.06102	6.8
263.07788	1.5
319.08185	0.8
336.80624	0.5
341.10703	2.5
355.10376	0.7
372.17670	0.6
383.12054	4.4
406.53702	0.7
427.89297	0.6
439.12799	0.8
447.22809	0.5
457.13522	1.1
499.14810	1.8
517.15906	1.3
559.07996	1.1
559.16718	17.8
560.17334	1.8
679.20776	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	679.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13417	0.5
59.01382	20.3
69.77984	0.5
71.01385	18.6
72.99283	0.7
73.02943	2.8
79.07320	0.5
83.01405	1.2
85.02946	4.3
87.00899	2.1
89.02447	19.0
95.01421	0.7
97.02960	0.5
99.00895	1.1
101.02444	12.3
113.02460	9.3
117.03477	0.6
119.03504	7.0
125.02436	1.7
131.03554	2.7
132.02176	22.9
133.02538	0.6
134.03751	13.9
135.04161	0.7
143.03499	2.3
149.06079	1.9
155.61937	0.5
160.01666	86.8
161.01985	3.8
161.04556	5.8
175.04007	100.0
176.04413	4.9
178.02687	0.9
179.05615	19.5
191.07195	2.5
193.05061	22.5
194.05318	0.6
202.02701	0.8
207.06577	1.3
217.05054	6.4
221.06569	2.4
235.06119	10.6
235.08276	0.7
236.06474	0.5
247.06111	0.8
259.06021	0.7
265.07153	2.3
295.08350	0.7
305.08932	1.1
305.71292	0.5
314.23785	0.5
337.09192	1.1
355.10352	4.2
355.45578	0.5
397.11404	25.4
398.11908	1.9
407.77002	0.6
439.12561	1.4
457.13431	1.0
460.84143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
58.00596	0.7
59.01381	18.3
59.46358	0.4
69.56379	1.3
69.56799	1.8
71.01382	16.0
72.99294	0.9
73.02950	2.5
76.72182	0.4
83.01382	0.8
85.02949	4.2
87.00874	1.9
89.02443	17.3
89.02998	1.0
95.01386	1.3
97.02939	0.4
99.00887	1.1
101.02444	9.6
113.02454	8.7
117.03466	0.9
119.03499	8.4
125.02441	1.8
131.03514	2.1
132.02170	22.8
133.02495	0.8
134.03737	13.0
135.04068	0.6
143.03490	2.5
145.56126	0.5
147.04514	0.5
149.04594	0.7
149.06094	1.7
160.01654	79.3
161.01984	4.2
161.04555	5.9
174.03209	0.6
175.03998	100.0
176.04370	5.6
178.02725	0.4
179.05609	23.8
180.05951	0.8
191.00697	0.4
191.07138	2.3
193.05054	20.4
194.05388	1.3
202.02751	0.5
207.06679	1.3
217.05038	6.1
220.04041	0.5
221.06592	3.6
235.06097	13.2
236.06442	0.6
239.46243	0.5
247.06105	0.5
259.06161	1.6
265.07120	2.5
291.27896	0.5
295.08395	0.6
305.08670	0.5
323.09586	0.6
337.09274	1.5
355.10385	4.6
397.11374	30.5
398.11606	2.7
439.12604	1.0
457.13574	0.5
599.54779	0.4
679.20911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	0.3
59.01381	0.5
61.19030	0.2
61.98845	0.2
63.92996	0.2
69.03467	0.2
70.45965	0.2
70.55167	0.2
71.01398	0.3
78.26257	0.2
78.50801	0.1
80.05026	0.2
81.03461	8.0
82.03820	0.2
83.05029	20.8
84.05357	0.6
95.62651	0.2
100.07680	0.4
101.02427	0.3
107.06162	0.3
108.04556	0.5
125.07221	1.3
126.05618	0.6
143.08267	0.5
149.04590	0.2
151.00681	0.2
151.65634	0.2
157.13454	0.2
173.81578	0.2
176.67886	0.2
207.14998	1.6
222.16055	0.2
224.17696	3.3
225.16084	13.4
226.16353	0.6
242.18710	0.9
250.15620	0.2
268.16690	0.2
290.22427	0.4
309.21756	0.8
310.21991	0.2
324.26566	0.9
333.22876	0.8
341.29105	1.1
350.24252	0.2
351.24170	0.2
367.27005	1.4
407.33838	0.3
427.07785	0.2
433.31934	1.4
450.34509	1.6
451.32892	6.2
452.33072	0.6
541.93164	0.2
550.43280	0.7
551.43738	0.3
559.39874	0.3
565.44635	0.3
567.45911	0.2
593.44037	0.7
618.45483	0.2
659.48346	1.7
677.49664	100.0
678.49988	18.9
678.62103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03446	0.4
58.00586	0.9
59.01379	16.8
71.01385	18.4
71.59740	0.6
72.99308	1.2
73.02951	3.6
83.01389	1.2
85.02942	3.8
87.00882	2.2
89.00673	1.0
89.02446	17.9
92.41551	0.3
95.01397	1.2
97.02950	0.8
99.00896	0.6
101.02448	10.4
113.02453	8.9
115.00368	0.4
117.03468	0.8
119.03502	7.4
121.05863	0.4
125.02454	1.9
131.03546	2.2
132.02174	23.8
133.02554	0.6
134.03746	13.0
135.04187	0.4
143.03526	3.0
146.43605	0.4
147.04456	0.9
148.05272	0.5
149.04579	1.6
149.06085	2.5
160.01659	84.7
161.02046	3.2
161.04572	6.4
173.06151	0.4
175.04002	100.0
176.04373	4.8
177.01962	0.6
178.02766	0.8
179.05614	20.4
180.05905	0.6
191.07123	2.4
193.05061	19.9
194.05434	0.9
202.02789	0.5
207.06642	1.6
217.05031	5.9
218.05415	0.4
221.06706	3.4
231.06636	0.5
235.06125	11.1
236.06415	0.4
247.06038	1.0
259.06149	1.4
263.07605	0.5
265.07114	1.9
293.12311	0.4
295.08221	1.6
305.08725	0.7
323.09802	0.6
337.09302	0.9
337.14923	1.0
341.11017	0.7
355.10425	3.9
397.11389	25.8
398.11377	2.3
437.66696	0.4
439.12592	0.7
457.13483	0.8
472.65186	0.4
488.80707	0.4
559.16431	1.7
679.21155	0.7
682.13690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40166	1.1
59.01382	49.3
61.98820	4.6
69.36645	8.0
69.37049	2.2
71.01371	1.1
73.44048	1.2
74.78075	1.0
81.03462	8.6
83.05029	15.1
98.19912	2.7
104.18367	1.2
118.62200	1.1
123.36470	1.2
225.16016	4.8
281.52698	1.2
306.07657	1.3
307.23907	1.4
391.29483	6.2
457.70132	1.3
533.40918	2.4
599.45868	2.4
617.46484	100.0
618.46686	19.5
677.36401	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44629	0.3
55.01861	1.0
57.03438	0.8
58.00583	1.8
59.01381	32.1
61.98821	0.9
67.01840	0.3
68.99798	0.6
69.03452	2.1
69.27672	2.8
69.28103	0.9
71.01382	33.5
72.98982	0.4
72.99305	3.5
73.02944	6.0
75.00853	1.2
78.95889	1.0
80.96537	0.5
81.03440	1.2
83.01385	3.5
83.04987	0.5
85.02955	7.1
86.00040	0.4
87.00875	8.7
87.04514	0.5
87.98476	0.3
89.02445	27.8
91.03983	0.8
93.03477	0.5
95.01373	2.9
97.02957	6.7
99.00882	2.5
101.02444	29.6
102.02784	0.4
103.91976	0.6
109.02892	0.5
111.00869	0.5
111.04509	0.8
113.02448	14.8
115.03973	0.6
115.92100	0.4
116.92909	0.4
119.03500	9.7
119.04914	0.6
121.02941	0.6
124.01626	0.6
125.02444	12.3
126.02747	0.5
127.04060	0.5
131.03488	1.3
133.05040	0.9
139.04034	0.8
141.01889	0.5
143.03506	5.4
149.04547	1.2
152.99583	1.3
154.64279	0.5
161.04564	6.8
163.03987	1.0
167.03444	0.7
179.05614	6.7
185.04578	0.8
199.06247	0.3
203.05617	0.4
211.96274	0.3
217.07104	1.4
221.06662	2.7
233.11397	0.4
235.08218	13.7
236.08577	0.6
245.06570	0.8
253.09303	3.5
261.22238	0.6
263.07666	1.3
277.09277	1.0
277.21674	0.7
279.23273	100.0
280.23651	9.6
287.07727	3.1
305.08783	4.0
323.09814	1.5
361.11380	0.8
379.12402	1.2
397.13489	76.6
398.13763	6.3
415.14563	30.9
415.20303	0.7
416.14847	2.9
595.28882	2.2
603.19830	0.7
604.19409	1.2
631.76440	0.4
650.51080	0.4
677.35699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48125	0.2
55.01870	1.2
57.03443	1.3
58.00596	2.4
59.01379	40.2
60.01711	0.4
61.98836	0.6
67.01891	0.2
68.44023	0.2
68.99839	0.5
69.03459	2.1
70.74493	0.6
70.74821	0.3
71.01382	36.6
71.05009	0.3
72.01707	0.6
72.99303	2.5
73.02948	6.1
74.65018	0.2
75.00871	0.8
80.96534	0.3
81.03455	1.5
82.86684	0.3
83.01385	4.4
83.05030	0.4
84.02194	0.3
85.02953	8.6
86.00143	0.3
86.03300	0.3
87.00873	9.3
87.04510	0.3
89.02444	33.1
90.02797	0.4
91.03985	0.6
93.03469	0.4
95.01380	2.7
95.05074	0.3
97.02952	7.3
99.00893	2.3
99.04501	0.6
101.02444	29.0
102.02770	0.6
103.00388	0.4
103.04018	0.4
109.02965	0.7
111.00886	0.6
111.04518	0.8
113.02452	14.0
114.02799	0.3
115.04025	0.7
115.92108	0.3
119.03500	10.8
120.03988	0.3
121.02972	0.7
123.04568	0.4
124.01658	0.4
125.02443	13.7
127.04025	0.6
131.03471	2.0
133.05067	1.0
139.04028	1.0
141.01888	0.3
143.03508	6.8
144.03830	0.3
149.02513	0.3
149.04568	1.1
151.04114	0.3
161.04549	6.9
161.05847	0.4
167.03525	0.7
169.05168	0.3
171.03053	0.3
179.05614	6.6
185.04616	0.8
199.06047	0.6
202.18494	0.3
203.05592	0.5
217.07175	1.3
219.05090	0.4
221.06657	2.4
235.08218	14.9
236.08670	0.6
245.06628	0.9
253.09294	3.6
261.22137	0.5
263.07651	1.3
268.37488	0.3
277.09290	0.9
279.23276	100.0
280.23615	10.7
287.07666	3.6
305.08768	3.7
323.09805	1.5
335.66455	0.3
361.11209	0.6
379.12207	1.2
397.13483	74.6
398.13776	6.2
415.14545	30.3
415.20346	0.6
416.14813	2.3
572.74915	0.3
577.27185	0.4
633.69122	0.3
659.88000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99494	0.2
59.01393	0.3
61.98828	0.2
65.00338	0.3
66.73787	0.2
69.29342	2.5
70.07439	0.2
70.90706	0.2
71.01385	0.3
81.03437	0.4
83.05045	1.1
89.02434	0.3
89.03979	0.5
91.05540	0.8
93.03474	0.4
97.86853	0.2
98.20628	0.5
101.02435	0.3
110.28249	0.2
117.03448	1.2
119.05032	0.9
121.02959	14.8
122.03311	0.4
132.02158	1.8
134.03777	0.3
135.04553	0.9
145.02994	0.2
145.48560	0.3
147.04520	5.4
147.43083	0.2
148.04890	0.3
149.02448	80.6
150.02776	3.3
152.01138	0.3
163.04033	1.0
164.04797	52.9
165.05092	2.3
179.07108	2.8
193.01494	0.4
208.03844	1.3
223.06113	100.0
224.06439	5.7
225.16090	0.7
247.02823	0.3
433.31946	0.3
451.32877	18.1
452.33209	2.3
675.40363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03455	1.4
58.00596	2.5
58.07033	0.2
59.01381	49.4
60.01709	0.5
63.40236	0.2
67.01894	0.2
68.99813	0.6
69.03454	2.9
69.41156	1.8
71.01384	42.1
72.01720	0.4
72.99312	3.3
73.02946	7.5
75.00880	1.0
81.03461	1.9
82.73910	0.2
83.01391	4.9
83.05025	0.5
83.20862	0.2
84.02189	0.3
85.02955	8.9
86.00092	0.5
86.03270	0.3
87.00877	10.4
87.04504	0.5
88.04487	0.2
89.02445	37.7
90.02764	0.5
90.20871	0.2
91.04022	0.8
93.03462	0.5
95.01392	2.8
95.05039	0.5
97.02953	6.8
99.00880	2.4
99.04537	0.6
101.02443	33.8
102.02807	0.9
103.00359	0.6
103.04013	0.6
109.02956	0.6
111.00888	0.7
111.04514	1.4
112.01643	0.3
113.02450	16.0
114.02803	0.3
115.04023	0.7
119.03504	11.6
120.03915	0.3
121.02982	0.8
123.00865	0.3
123.04523	0.3
124.01688	0.7
125.02450	14.6
126.02789	0.5
127.04020	0.6
127.07685	0.3
129.01929	0.3
130.05270	0.2
131.03514	2.1
133.05069	1.2
135.04633	0.2
137.02472	0.2
139.04018	0.9
141.01962	0.7
141.05492	0.3
143.02379	0.4
143.03502	6.8
149.02483	0.3
149.04546	1.2
157.05095	0.2
161.03209	0.4
161.04558	8.9
167.03484	0.9
169.05077	0.7
171.02921	0.4
179.05606	7.7
181.05066	0.4
184.46309	0.2
185.04538	0.8
199.06123	0.7
203.05615	0.3
217.07169	1.5
219.05092	0.6
221.06625	3.0
233.22755	0.4
235.08208	16.6
236.08530	0.9
245.06651	1.2
253.09279	4.2
259.20734	0.5
263.07684	1.7
275.20090	0.4
277.09625	1.2
277.21704	100.0
278.22052	10.3
287.07733	3.9
288.08261	0.3
291.23337	0.5
305.08783	4.0
323.09650	1.8
361.11389	0.7
379.12534	1.4
397.13489	87.3
398.13834	6.9
415.14551	36.4
416.14899	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	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96032	0.1
55.01878	1.5
56.99811	0.1
57.03450	1.3
58.00599	2.3
59.01381	48.0
60.01708	0.4
61.98837	0.3
65.42725	0.1
67.01890	0.4
68.99810	0.6
69.03458	2.7
71.01383	44.5
71.61123	0.2
72.01719	0.7
72.99310	3.4
73.02947	7.1
75.00877	1.5
81.03454	2.0
83.01386	5.3
83.05030	0.5
84.02176	0.2
85.02951	9.7
86.00108	0.5
86.03286	0.2
87.00877	10.8
87.04510	0.5
88.01170	0.1
89.02444	39.7
90.02798	0.3
91.04008	0.9
93.03458	0.6
95.01392	3.3
95.05035	0.3
97.02950	7.4
97.06587	0.2
98.03252	0.1
99.00883	2.6
99.04527	0.6
101.02443	36.4
102.02794	0.6
103.00381	0.4
103.04018	0.4
107.01392	0.1
107.03488	0.2
107.05015	0.1
108.02177	0.1
109.02942	0.7
111.00876	0.8
111.04520	1.4
112.01672	0.2
113.02450	17.9
114.02785	0.4
115.04015	0.9
117.01994	0.1
119.03499	11.8
120.03854	0.1
121.03004	0.6
123.00895	0.4
123.04532	0.5
124.01656	0.5
125.02446	14.8
126.02800	0.3
127.04002	0.6
127.07652	0.3
129.01941	0.4
131.03502	2.3
133.05077	1.0
137.02469	0.4
139.03999	1.4
141.01921	0.8
141.05606	0.2
142.02736	0.1
143.03505	7.2
144.03853	0.1
149.02539	0.3
149.04541	1.3
151.03972	0.2
151.32838	0.1
153.05515	0.2
155.03502	0.2
157.05061	0.4
159.03035	0.2
161.04556	8.1
162.04866	0.2
163.04008	0.2
167.03476	1.2
169.05092	0.6
171.02995	0.4
179.05608	7.9
180.05997	0.1
181.05054	0.4
185.04521	0.8
199.06133	0.4
203.05618	0.5
205.19550	0.2
215.05495	0.2
217.07144	1.4
219.05093	0.5
221.06667	3.0
222.06929	0.2
233.22699	0.4
235.08221	16.6
236.08496	0.6
237.06396	0.1
245.06631	1.1
253.09270	4.1
254.09634	0.2
259.08148	0.2
259.20581	0.6
263.07684	1.7
263.10312	0.1
275.20154	0.5
277.09607	1.1
277.21704	100.0
278.22037	9.3
287.07730	3.5
288.07993	0.3
291.23285	0.5
305.08795	4.1
306.09116	0.2
323.09811	1.9
361.11539	0.7
379.12488	1.4
397.13483	79.4
398.13815	6.5
415.14542	35.4
416.14862	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	672.142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24488	0.8
59.01380	1.3
61.98831	71.0
62.33605	0.7
71.01390	1.7
88.24415	0.7
89.02445	0.9
95.58098	0.7
101.02453	0.8
113.02413	1.2
117.03449	0.7
122.52470	0.7
128.03511	1.0
151.00388	2.4
183.04556	0.9
211.03972	1.6
227.03445	2.7
229.34935	0.8
255.02966	35.9
256.03375	4.0
283.02472	79.5
284.03015	12.0
285.04007	8.0
365.18286	1.1
446.08481	11.7
447.09225	6.0
524.03430	0.9
609.14587	100.0
610.14844	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	673.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56860	12.7
54.49360	12.0
61.98832	100.0
70.74545	29.4
70.74908	18.4
78.95915	39.4
96.96018	15.7
104.64626	12.6
161.74860	13.4
171.10239	15.6
174.01726	12.9
223.13589	23.8
453.92868	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	673.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18083	1.3
54.47406	1.3
57.29423	1.6
59.01378	2.6
61.98832	11.9
71.01387	13.4
71.17310	2.4
73.41481	1.6
78.95903	3.3
80.05037	1.5
81.60409	1.9
86.06660	1.5
89.02538	1.5
96.96033	1.7
106.06636	7.1
107.05062	8.8
108.04555	2.9
113.02408	1.8
115.00375	28.9
115.95111	1.8
121.02952	3.3
123.04540	2.2
129.01955	2.8
134.03737	4.1
134.06186	2.2
135.04530	31.8
136.59200	1.5
143.87254	1.8
150.03227	8.9
159.04482	1.9
160.04041	13.1
165.05547	5.9
171.10417	2.0
181.55672	1.4
188.03549	2.0
189.04291	3.0
194.69899	1.6
197.94922	1.5
209.11823	27.8
213.05530	6.4
215.11934	2.9
226.16718	1.8
227.12024	5.1
229.13635	1.8
233.04568	4.6
234.07793	2.2
235.06046	5.1
239.08223	3.8
241.05052	19.6
242.05667	3.0
249.10449	2.6
251.08299	6.6
251.11993	4.5
252.08983	15.9
253.09802	15.4
254.10376	2.6
256.07349	12.2
257.08249	3.9
257.13000	8.5
263.05630	4.0
263.08151	2.3
265.07147	11.7
265.09848	6.2
267.11401	9.2
268.07306	1.9
269.08044	1.7
271.09796	16.2
277.09888	8.5
278.07101	7.6
279.07727	20.2
280.08487	2.6
281.08365	1.5
283.09741	2.9
284.10440	2.9
293.09387	12.2
295.05984	3.5
295.07501	2.0
295.10883	32.1
296.11133	2.9
297.11322	10.0
310.08392	3.5
311.09796	1.9
313.10675	2.4
321.08786	78.4
322.09384	7.3
325.10666	9.9
326.11353	2.0
339.09860	100.0
340.10217	9.2
371.12262	3.5
383.11276	6.6
387.10745	2.7
401.12448	2.9
584.72516	1.9
623.21539	5.1
641.22485	95.4
642.22913	18.4
673.24646	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
58.19034	0.6
59.01381	4.0
61.98827	8.4
67.96721	0.6
71.01380	3.5
71.09328	1.1
72.99276	0.5
73.02948	1.5
85.02959	1.1
87.00854	1.1
89.02448	2.1
89.35231	0.6
89.71590	0.5
101.02451	3.7
111.08167	1.3
113.02420	1.3
116.92918	0.6
119.03497	0.7
132.18600	0.5
153.02000	0.6
161.04575	1.9
165.12859	12.1
166.13170	0.8
174.01715	0.9
179.05513	0.9
183.13895	100.0
184.14226	5.0
197.59218	0.6
198.49870	0.6
209.11797	2.1
211.13464	1.0
227.12909	6.7
235.08205	0.9
253.09300	2.3
436.63931	0.6
445.21155	1.1
463.21823	4.4
511.28955	1.7
611.34381	0.6
629.35242	5.4
630.35809	1.0
631.55518	0.7
655.33765	3.3
673.34357	65.6
674.34698	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	671.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.87668	0.8
57.03437	2.8
58.00582	1.2
59.01382	38.6
61.98841	3.6
69.56123	5.1
71.01386	38.1
72.01709	0.8
72.99313	2.3
73.02950	10.2
81.64800	0.6
82.10298	0.8
83.01404	5.1
85.02953	16.3
85.06596	1.2
87.00861	3.0
88.98826	0.9
89.02448	12.3
95.01393	4.3
96.95966	0.7
97.02950	0.9
98.19870	1.3
99.00872	3.8
101.02447	24.9
102.02762	0.9
111.00913	1.3
113.02449	15.5
115.07633	2.9
115.28893	0.6
116.92847	1.5
119.03519	4.5
121.41602	0.7
125.02451	1.7
129.01897	1.1
139.00346	1.8
143.03471	1.8
143.04639	0.7
159.02974	2.5
161.04573	13.2
167.69252	0.7
174.01654	0.8
179.05643	2.4
188.13503	0.7
193.04964	1.1
206.36597	0.7
227.03525	0.9
255.02992	0.8
271.02332	0.8
272.03891	0.6
278.43130	0.7
284.03226	1.0
285.04120	1.7
332.64835	0.7
403.28494	1.3
405.30054	1.9
438.16531	0.7
447.30872	0.7
449.32727	20.9
450.33084	2.6
492.17889	1.1
506.11276	0.7
510.18744	0.9
549.48486	0.7
609.14380	0.9
611.37988	100.0
612.38318	19.5
671.24310	1.0
672.23621	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35987	0.7
54.52000	0.8
59.01380	2.0
61.98831	68.2
69.67841	1.8
69.68248	3.2
76.82935	0.7
78.61896	0.7
83.01427	1.1
93.03394	1.1
98.51746	0.7
101.02440	0.9
101.33418	0.7
107.01405	1.9
108.87313	0.7
125.02423	1.1
127.53908	0.8
135.00870	1.3
151.00362	2.5
161.98935	0.7
163.00369	2.2
165.02039	0.8
169.06577	0.9
183.04437	1.0
185.06062	1.4
187.04092	1.7
189.05586	1.3
190.52454	0.8
197.06039	0.9
211.03935	1.9
213.05534	1.5
227.03496	33.7
228.03793	2.0
229.05060	9.2
241.04974	0.9
255.02983	46.6
256.03592	5.9
257.04391	4.3
267.03067	1.0
283.99945	1.1
284.03253	50.4
285.04028	87.1
286.04312	6.1
327.04938	1.2
609.14587	100.0
610.14795	15.7
703.04883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50887	0.5
58.82544	0.5
59.01381	1.3
61.98833	100.0
69.34492	1.5
69.34911	3.6
77.84397	0.5
83.01405	0.7
89.02479	0.7
93.03468	0.8
103.17818	0.6
106.80112	0.5
107.01401	1.8
113.02492	0.6
147.44998	0.5
151.00392	3.1
163.00421	0.7
178.99828	0.8
187.04092	1.0
211.03996	1.4
213.05623	0.9
227.03516	28.5
228.03951	2.1
229.05096	1.9
239.03300	0.6
255.02995	54.0
256.03546	7.2
257.04608	1.6
283.02615	1.2
284.03268	81.6
285.03967	24.6
286.04395	1.3
300.02750	0.8
309.04004	0.7
311.98242	0.6
339.04932	0.5
402.47739	0.6
429.08282	1.6
609.14618	96.5
610.14868	17.1
610.43854	0.6
685.99554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2675
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
53.76094	6.7
57.71252	4.7
61.98827	12.9
63.96130	4.9
67.85726	5.1
71.10242	11.9
104.88307	5.2
160.19955	4.8
163.11543	4.7
215.83342	5.1
358.25308	5.4
671.26837	100.0
672.27118	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	671.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82993	1.3
51.52795	1.4
52.16996	1.3
55.01884	2.7
57.03446	3.8
57.55267	1.4
58.00597	2.2
59.01382	100.0
60.01694	1.7
61.98837	11.3
69.03459	2.7
70.18594	5.3
71.01385	64.0
72.99295	3.9
73.02953	27.8
73.39166	1.2
75.00871	3.9
79.28697	1.3
82.84364	1.3
83.01395	8.1
85.02954	23.0
86.00062	1.3
87.00872	11.8
87.04506	2.4
89.02450	39.1
95.01395	4.9
97.02970	2.4
99.00861	4.9
99.04552	2.3
101.02450	56.1
101.78811	1.5
103.04012	5.5
111.00906	1.7
113.02460	23.9
115.04012	1.9
119.03500	17.3
125.02428	5.0
127.04004	2.7
131.03514	8.4
143.03482	13.7
145.05084	20.8
159.02977	3.0
161.04585	18.5
163.06134	8.9
179.05617	28.9
205.07170	11.8
221.06602	3.4
247.08191	4.4
265.09323	2.8
266.21219	1.5
307.10367	2.2
325.11295	5.0
366.85202	1.6
367.12439	87.6
368.12708	4.4
397.13519	3.0
427.14673	8.8
449.23828	9.5
509.35172	1.9
572.64233	1.9
611.29175	78.3
611.37506	3.8
612.29950	12.6
620.30005	1.6
660.37750	1.6
670.41125	5.8
671.31903	1.8
671.41595	15.6
672.41730	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3622
Annotation	CHEBI:69144
Peak:m/z	Relative Intensity
58.02966	3.7
59.01374	3.2
61.98819	2.6
66.03486	0.9
70.02982	1.0
70.44493	1.1
70.44874	1.0
71.01381	2.4
73.04073	5.9
74.02483	1.0
74.95245	0.8
82.02986	2.7
84.00909	1.0
84.04547	1.1
85.02930	0.8
87.05658	4.2
87.60516	0.8
88.04052	2.4
89.02462	0.7
95.01375	0.7
95.76840	0.6
97.04066	0.9
98.02466	1.9
98.06123	1.1
98.19936	0.8
99.01984	0.8
101.02422	1.7
101.07213	0.8
109.04076	4.0
110.02502	3.9
112.04042	2.4
113.02458	0.9
115.05142	3.7
115.08759	3.4
116.07169	2.9
117.93759	0.7
119.08919	0.7
123.05636	1.9
124.04073	5.8
125.07194	1.7
126.05627	4.7
126.06409	0.6
127.05141	18.2
127.08762	1.5
128.03548	8.1
129.06697	2.9
129.10310	1.6
130.05122	2.1
130.08740	63.6
130.27960	0.7
131.09070	1.9
134.03706	1.2
137.07254	3.9
138.05589	2.2
139.05144	1.7
140.07172	1.1
141.06709	4.3
143.11821	0.8
144.07820	1.6
151.05086	0.8
154.06158	0.6
154.09808	2.6
155.08281	1.7
158.09314	1.5
161.02609	0.7
166.06226	19.7
167.04605	4.4
167.11839	1.3
168.07759	1.4
168.09047	1.7
169.06061	1.0
169.13443	1.6
171.15060	1.2
172.10945	2.2
174.01723	1.2
180.07809	2.7
180.10297	0.9
181.06198	5.6
181.09833	1.1
184.07268	34.3
185.05692	1.3
185.07622	1.3
185.16583	14.0
186.08807	1.5
193.05083	1.5
194.09366	1.1
195.15001	0.8
196.10893	1.7
197.12962	3.1
198.08803	3.0
208.10956	0.9
211.12019	1.3
211.14481	2.1
211.47145	0.7
226.15424	1.0
229.15550	6.2
237.10014	1.7
238.11955	1.3
240.00975	0.7
240.13605	0.8
250.12106	1.1
254.11436	0.8
255.10970	6.6
259.09317	2.0
265.13043	3.6
283.14063	2.4
284.03275	0.8
284.23416	15.0
285.03952	0.8
285.23837	1.2
310.21188	1.4
321.19324	1.7
328.22369	2.1
341.25720	3.9
385.24600	5.1
395.26270	1.3
427.25766	3.7
429.27258	0.9
439.18082	0.7
439.25391	3.5
452.28967	0.9
456.28415	1.1
466.25970	0.8
496.27921	21.3
497.27832	2.3
498.28955	1.4
512.95258	0.7
540.31073	3.4
551.68884	0.7
565.33313	1.1
567.31299	4.5
609.32495	19.6
610.32794	3.6
627.33575	56.0
628.34131	9.2
639.18793	1.2
653.35040	9.4
654.35901	1.7
671.36206	100.0
672.25745	0.8
672.36487	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	667.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50697	1.0
55.01886	5.9
57.03451	5.5
58.00586	4.5
59.01382	100.0
60.01726	1.0
61.98828	14.3
62.01336	0.9
64.54460	1.0
67.01870	1.8
68.99816	4.3
69.03458	13.0
69.43129	2.4
69.43532	6.7
71.01385	96.8
71.04987	1.4
72.99297	7.7
73.02956	17.5
75.00871	1.2
78.95868	1.1
81.03440	5.0
83.01393	16.1
84.02174	1.4
85.02953	49.3
87.00889	15.1
87.04514	3.2
88.98775	1.0
89.02445	51.9
93.03464	3.0
95.01385	10.3
97.02956	22.4
98.20576	1.7
99.00887	15.5
99.04505	3.2
101.02448	70.8
102.02859	1.1
107.01439	1.2
107.05045	1.9
108.02178	2.4
111.00868	7.0
111.04500	1.6
113.02461	44.0
115.03990	3.8
119.03512	24.6
121.02956	4.4
123.00882	2.6
123.04522	3.0
124.01656	6.1
125.02451	68.9
126.02749	1.5
127.03999	1.3
131.03493	4.9
134.03685	0.9
135.04491	1.8
136.41376	1.0
137.02441	1.8
137.06088	46.6
137.07158	2.4
138.06453	2.0
139.03963	1.3
141.01936	4.8
143.03503	51.7
144.03836	1.7
145.05070	2.3
149.02513	1.3
149.04585	1.7
151.04066	1.2
159.02965	3.5
161.04558	26.1
167.03473	3.4
174.01698	1.0
176.74118	1.0
179.03941	1.2
179.05586	8.9
181.05066	61.8
182.05508	2.5
203.03966	1.0
203.05559	5.4
215.44252	1.1
221.06606	9.7
245.06660	29.3
250.58698	1.1
263.07721	22.0
263.10419	2.2
264.29807	1.1
287.07867	6.6
300.30386	1.1
301.10794	20.0
305.08786	17.0
323.09869	11.2
365.10800	4.4
409.13077	5.5
505.33755	10.0
625.21558	2.5
667.39148	69.8
668.39325	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	667.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03438	2.0
58.00599	1.2
59.01383	21.3
61.98836	5.6
68.37473	0.5
69.03465	0.7
70.06923	2.5
71.01385	28.1
72.01720	0.6
72.99300	1.3
73.02953	8.1
75.00892	0.7
83.01398	5.9
85.02953	13.4
87.00875	2.8
88.98776	0.6
89.02450	8.5
95.01379	1.6
97.02943	1.0
99.00920	3.1
101.02451	19.7
111.00854	3.2
113.02450	8.2
119.03516	2.5
125.02474	0.8
129.01997	1.1
141.01978	1.0
143.03503	1.1
143.04610	0.6
159.02946	1.8
161.04565	2.2
193.05083	0.6
236.95311	0.6
297.24298	1.2
300.02670	0.5
319.56583	0.6
343.28430	2.7
368.15576	0.6
382.31586	0.6
390.97769	0.6
398.24002	0.5
488.18338	1.1
505.33829	11.6
506.34323	1.1
667.39148	100.0
668.39471	18.2
696.07617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12919	0.5
55.01877	2.5
57.03444	1.6
58.00591	2.0
59.01381	32.6
61.98838	5.3
69.03466	0.5
69.38478	4.8
71.01389	31.7
72.99309	3.1
73.02953	7.7
75.00872	0.6
83.01395	5.0
85.02956	15.4
87.00876	2.9
88.98833	0.7
89.02451	17.0
95.01399	2.5
97.02924	1.2
98.19819	1.0
99.00906	4.0
101.02449	23.2
111.00881	2.2
113.02451	12.8
119.03498	6.2
125.02499	1.2
127.78526	0.5
128.31358	0.6
131.03493	0.7
133.26495	0.5
136.75298	0.5
143.03502	1.4
159.02962	1.2
161.04529	3.3
179.05577	2.0
220.57404	0.7
311.05545	0.9
343.28281	0.9
377.43906	0.6
487.33093	2.6
505.33804	15.1
505.92688	0.6
506.34308	1.7
635.16711	0.6
667.39130	100.0
668.39484	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	668.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
78.95918	0.9
82.65350	0.6
100.07462	0.6
129.09209	0.6
137.28258	0.7
146.96542	0.7
171.10307	2.4
217.71394	0.6
247.04321	0.6
277.21634	1.1
278.21976	0.8
302.59460	0.7
323.54111	0.6
476.11343	0.7
479.63876	0.8
529.22430	1.1
583.19647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03442	2.2
58.00593	0.9
59.01380	20.4
61.98830	2.0
69.03449	0.6
70.56152	1.5
71.01385	23.2
72.01724	0.4
72.99296	1.9
73.02951	7.9
83.01392	5.1
85.02956	11.9
87.00863	1.7
88.93532	0.4
89.02445	7.1
93.93788	0.4
95.01379	2.3
97.02919	0.7
99.00886	2.7
99.04536	0.8
101.02445	18.8
102.02800	0.5
111.00902	3.0
113.02448	8.7
119.03520	2.3
125.02392	0.9
129.01973	0.5
141.01921	0.7
143.03531	0.9
154.52885	0.4
159.02957	1.2
161.04631	1.9
174.85988	0.4
179.05710	0.7
280.38257	0.4
299.25711	0.6
345.30112	2.5
346.29883	0.4
507.35382	8.4
508.35571	1.2
669.40674	100.0
670.40961	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	665.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31989	0.4
55.01880	0.4
57.03444	0.5
58.00587	1.6
59.01379	34.1
69.92595	1.5
71.01382	23.1
72.01742	0.4
72.99307	2.4
73.02944	0.7
78.95903	1.3
82.44065	0.5
83.01382	1.1
85.02949	4.7
87.00871	1.7
89.02444	25.6
95.01387	1.5
96.96945	0.5
99.00867	0.6
101.02450	15.3
113.02444	9.6
119.03505	10.5
131.03485	0.7
133.02946	1.7
143.03474	1.1
149.04527	0.8
151.00418	0.4
161.02437	5.9
161.04541	1.1
175.02472	0.4
179.05617	1.6
211.00198	0.6
227.03532	2.7
255.03044	3.0
262.95349	0.5
284.03336	2.9
285.03918	1.1
323.13452	100.0
324.13773	5.7
341.11038	0.7
408.17981	0.4
489.10339	6.1
490.10825	0.6
513.13934	0.4
665.20349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71780	0.8
57.75150	0.7
59.01133	1.0
59.01384	11.5
61.98833	2.0
63.02399	0.9
66.73588	0.7
67.62291	0.7
71.01382	13.9
71.61133	0.9
72.99297	1.3
75.00864	0.7
79.95741	1.1
85.02946	1.8
85.70992	0.7
87.00848	1.2
89.02458	6.3
93.03454	0.9
95.01344	1.3
96.95989	1.3
99.00879	0.7
101.02448	4.4
113.02443	2.5
115.00371	10.1
116.92873	6.0
117.01938	1.0
119.03505	2.0
119.05038	3.2
121.02969	3.7
123.67738	0.7
131.03508	0.7
132.02182	0.8
133.01460	1.0
133.02950	3.1
134.03748	50.8
135.04601	1.7
136.01659	3.7
137.02469	8.3
139.03999	1.8
145.02960	2.7
147.04561	2.5
149.02438	1.8
149.06084	12.7
150.03165	2.4
151.00351	0.7
151.04002	1.4
151.51729	0.8
153.05598	1.9
161.02481	1.6
161.04565	0.8
162.03236	13.4
163.04037	5.8
165.05577	1.2
174.90169	0.6
177.05569	7.0
178.01161	1.6
178.02721	29.6
178.99994	0.7
179.03081	1.0
179.05731	1.0
179.47958	0.7
192.04306	6.6
193.05069	58.8
194.05492	3.4
195.01593	0.7
207.06610	2.5
255.03087	1.0
271.02454	2.6
294.09103	1.5
299.01764	1.3
300.02676	4.2
301.03470	2.6
309.11285	1.4
341.10245	1.2
353.10339	3.7
365.18301	1.3
389.12448	2.2
463.09006	1.1
505.09631	1.6
551.17725	100.0
552.18073	11.3
609.38007	0.8
667.16901	1.0
667.28943	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	667.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23234	0.3
56.62536	0.4
58.00599	0.6
59.01378	6.5
61.98821	0.5
71.01381	10.2
71.61072	0.4
72.99304	0.6
85.02952	0.9
87.00873	0.8
89.02435	6.4
93.03468	0.4
95.01357	0.4
96.95966	0.6
99.00856	0.4
99.92625	0.5
101.02426	2.7
106.04224	0.3
113.02451	2.4
114.02734	0.4
115.00366	4.3
116.92863	3.0
117.92937	0.4
119.03516	2.8
119.05010	0.5
121.02972	1.7
123.24282	0.3
131.03539	0.7
133.01410	1.6
133.02957	0.9
134.03740	30.2
135.04112	0.8
136.01721	0.4
137.02451	5.1
139.04012	1.6
143.03522	0.7
145.02887	0.5
147.04556	0.6
149.04858	0.6
149.06084	10.3
150.03242	0.7
150.06404	0.5
153.05629	0.6
159.04535	0.5
160.05276	0.5
161.02446	0.7
161.04564	1.2
161.05984	0.4
162.03230	4.9
177.05547	3.4
178.02705	21.4
179.03120	0.8
179.05618	4.3
192.04277	0.4
193.05051	100.0
194.05368	4.7
195.06592	0.5
250.83185	0.4
266.05960	0.4
279.06592	0.4
287.55737	0.3
294.09079	0.7
300.02707	0.3
336.94550	0.3
353.10257	10.1
354.10696	1.1
357.11929	1.2
358.39130	0.4
399.21365	0.4
467.33365	0.3
551.17767	2.6
632.31165	0.4
667.18158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19498	0.3
59.01091	0.5
59.01380	6.4
69.89017	0.8
69.89412	0.6
71.01390	5.0
72.99302	0.5
73.02944	1.4
83.01402	0.4
83.15099	0.3
85.02957	1.2
87.00882	0.9
89.02444	5.8
95.01412	0.4
101.02441	3.5
105.03483	0.5
113.02439	2.5
117.03468	0.6
118.36026	0.3
119.03500	2.1
125.02422	0.6
131.03488	0.9
132.02187	2.4
133.02962	32.8
134.03278	0.6
135.04517	2.9
143.03558	0.6
159.03062	0.4
161.02446	100.0
162.02795	4.8
177.05688	0.3
179.03513	4.3
179.05609	7.1
187.21828	0.3
203.03534	1.9
213.78922	0.3
221.06636	1.0
226.61679	0.3
278.54404	0.3
305.09052	0.3
320.36438	0.3
323.07321	0.6
337.05344	0.4
341.08749	0.9
383.09805	5.8
384.10141	0.4
443.11853	0.7
647.18671	1.0
654.47827	0.3
665.19360	3.7
666.19684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91956	0.2
59.01378	4.1
69.03477	0.5
69.34484	1.3
69.34917	0.9
71.01382	4.8
72.99285	0.2
73.02947	2.2
83.01401	0.8
85.02952	1.7
87.00877	1.2
88.53580	0.2
88.64751	0.2
89.02441	3.0
94.91664	0.3
95.01408	0.5
97.02963	1.0
99.00871	0.4
101.02444	5.4
105.03482	0.7
113.02463	3.2
117.03466	1.1
119.03502	1.1
125.02477	0.5
131.03514	1.1
132.02156	2.1
133.02960	30.4
134.03265	1.3
135.04521	2.9
143.03467	0.5
145.02965	1.1
146.03400	0.3
149.04524	0.3
157.90604	0.2
160.01610	0.6
161.02443	100.0
161.04358	5.9
161.20090	0.2
162.02779	4.8
162.04791	0.3
175.03993	0.6
177.05594	0.4
179.03487	4.1
179.05566	2.1
179.43002	0.2
203.03442	1.7
221.04652	0.5
221.06673	1.4
227.03502	0.9
255.03052	1.6
263.07825	0.6
281.06729	0.4
284.03284	1.1
285.03799	0.4
323.07602	0.3
328.13593	0.3
341.10736	0.8
365.00003	0.2
383.12207	1.7
389.68973	0.2
402.96033	0.2
443.11838	0.3
485.13110	2.6
486.13434	0.3
489.10492	2.4
490.10748	0.4
503.14008	2.8
504.14230	0.5
521.89307	0.3
545.15198	3.9
546.15741	0.5
647.18170	1.0
665.19360	9.8
666.19434	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	664.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.52948	0.7
75.58690	0.4
79.95744	0.8
109.53795	0.4
116.92836	0.4
123.91364	0.4
158.30363	0.4
168.78218	0.3
187.74954	0.4
221.72879	0.4
243.09167	0.4
523.91010	0.4
579.26825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38568	0.1
55.01893	0.2
57.03449	0.9
57.91827	0.1
59.01378	3.3
63.02403	0.3
63.18499	0.2
63.33352	0.1
65.00321	0.4
67.01893	0.2
68.99821	0.3
71.00980	0.2
71.01382	4.1
71.32213	0.2
72.99309	0.7
73.02947	0.6
75.00871	1.7
76.38499	0.1
83.01394	0.5
84.02149	0.2
85.02957	7.4
86.03277	0.2
87.00876	1.2
89.02451	1.0
93.03455	0.2
95.01382	2.0
96.96007	0.3
99.00877	2.2
99.92570	0.8
101.02448	0.4
103.00372	0.9
107.01395	0.7
111.00858	0.3
113.02451	11.0
114.02770	0.3
115.00357	0.7
116.92860	8.5
117.01962	1.1
117.92865	0.4
121.12576	0.1
125.02423	0.9
125.11050	0.2
128.03589	0.2
128.07764	0.2
129.01935	0.5
133.01434	0.2
135.00876	0.2
139.00346	0.2
151.00375	1.9
153.01979	0.2
157.01437	0.3
161.02438	0.3
161.04573	0.3
163.00401	0.3
169.06711	0.2
169.23138	0.2
175.02498	3.2
175.03984	0.3
178.99855	0.7
183.04535	0.6
185.06058	0.5
187.03963	0.6
211.03970	0.9
213.05559	0.2
224.15239	0.1
227.03497	47.8
228.03876	3.2
229.04999	1.0
239.03505	0.2
241.04948	0.8
255.02982	60.3
256.03561	8.9
257.04407	0.7
269.04501	0.9
283.02448	0.4
284.03253	51.9
285.03973	19.3
286.04453	1.2
297.03940	0.3
298.04813	0.4
311.05417	0.2
325.09250	0.2
326.04492	0.3
326.09668	0.3
339.05014	0.4
340.11765	0.6
341.12335	0.8
429.08005	0.4
489.10364	100.0
490.10709	12.1
531.11389	0.8
532.12256	0.2
561.12402	0.2
665.13904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94093	4.1
59.01379	33.6
61.86761	4.6
61.98822	24.4
71.01382	40.0
71.31208	4.9
73.02940	7.5
73.20306	4.6
74.13719	4.3
80.96519	9.0
81.06359	4.2
83.01370	11.3
85.02941	12.7
87.00874	54.3
89.02440	33.4
95.01405	4.5
101.02431	28.2
113.02439	32.6
119.03479	9.0
137.40285	4.0
141.01910	3.8
143.03429	8.0
154.76466	4.4
161.04524	12.1
179.05603	14.4
188.15988	4.6
277.21722	100.0
278.21912	10.5
291.23322	22.1
319.22849	13.4
323.09845	34.1
341.10834	86.2
342.11057	5.0
567.82642	5.0
577.26837	11.7
601.32428	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	664.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17110	0.3
57.03458	0.4
57.25137	0.3
59.01388	2.4
61.98826	0.9
63.28566	0.3
69.30363	1.5
69.30790	1.5
71.01384	3.2
73.02943	1.1
75.00896	0.5
75.52886	0.3
87.00861	1.3
89.02435	1.4
93.69456	0.3
95.01402	0.5
96.96024	0.4
97.02954	0.4
97.17838	0.3
99.00875	0.8
99.92577	0.9
101.02473	1.6
107.01418	0.3
113.02460	3.2
113.06668	0.3
115.00377	0.5
116.92870	14.3
117.01941	1.0
119.03551	0.4
123.04510	0.4
125.02473	0.5
133.02957	0.5
135.47418	0.3
145.02957	0.4
151.00337	0.6
156.30754	0.3
161.02446	0.8
161.04564	0.7
162.31027	0.3
175.02516	0.8
175.03986	0.6
179.05574	0.8
211.04118	0.4
211.07680	0.5
225.05557	0.8
226.08792	0.4
227.03522	10.7
237.05678	0.4
239.07071	2.9
249.05615	0.7
253.05040	1.2
254.08273	1.2
255.02988	12.4
256.03745	1.1
259.99435	0.4
264.06580	0.9
265.05090	0.5
266.08286	0.8
267.06631	6.0
268.06876	0.7
280.03555	0.5
281.07214	0.6
282.07581	6.2
283.08362	0.4
284.03278	9.8
285.04044	4.0
291.05322	0.4
292.06052	1.2
293.06885	0.7
294.04352	0.4
294.07761	1.0
296.09140	0.6
297.10223	0.9
306.07593	0.6
308.09122	0.5
309.06433	2.2
310.07190	15.4
311.07584	1.5
315.87021	0.3
324.08777	9.7
325.09549	28.9
326.09973	2.2
340.11893	100.0
341.12262	10.0
382.12827	0.6
489.10400	23.5
509.07401	0.3
543.81378	0.3
664.22394	4.2
665.23248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
57.03452	39.2
59.01382	100.0
61.98823	2.3
69.03453	5.1
71.01389	27.1
71.61279	1.2
72.04703	0.9
72.99294	1.7
73.02949	5.8
79.01861	1.4
80.77989	0.9
81.03439	3.4
81.39608	1.0
83.01391	63.2
83.05034	1.4
85.02959	13.1
86.10558	1.0
87.00845	3.3
88.98792	1.7
89.02446	17.1
90.46670	1.0
95.01392	3.6
97.02949	7.4
99.00870	2.6
99.04521	51.6
101.02445	33.3
109.29568	1.0
111.00869	2.2
111.04509	1.4
113.02462	19.3
119.03503	5.2
123.00907	1.6
123.04494	2.4
125.02449	87.0
126.02803	1.5
127.00401	5.4
131.03467	1.0
131.44516	0.9
139.00375	1.5
143.03496	7.0
151.00356	4.7
155.03506	17.9
159.03015	1.3
161.04585	13.6
162.02831	1.0
167.03508	7.0
173.04544	2.4
179.05620	7.7
181.01462	1.7
185.04536	2.2
193.05084	1.7
203.05576	3.5
211.02446	3.4
245.06599	2.3
263.07645	1.9
269.10303	3.9
271.02435	1.8
300.02783	2.0
301.03149	1.2
305.08829	1.7
311.11288	3.3
337.09183	3.6
352.84314	1.1
353.12317	3.0
357.00925	1.1
379.10300	12.5
395.13550	9.4
409.11359	1.7
413.14560	3.2
421.11264	5.3
450.95233	1.1
455.15582	7.3
481.12851	1.2
481.61954	1.2
483.82159	1.2
523.14600	2.8
586.53687	1.1
625.15344	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	659.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
57.03430	1.4
58.00591	1.5
59.01384	34.8
60.01681	0.9
61.63461	1.2
61.98832	10.9
64.87865	1.0
68.99787	0.9
69.94109	1.1
71.01382	35.4
71.61543	1.5
72.99300	1.8
73.02947	11.1
75.00864	3.1
79.97905	1.0
80.30863	1.0
83.01388	7.7
85.02949	15.5
87.00876	4.3
89.02447	17.8
95.01398	3.2
96.96005	1.5
97.02917	2.4
99.00858	4.1
99.04527	2.0
101.02445	33.9
103.04033	1.0
106.18538	0.9
113.02454	16.9
119.03508	6.6
121.54308	1.0
125.02427	2.5
127.04008	2.3
128.03503	1.5
129.01953	1.1
132.10831	1.0
132.71207	0.9
143.03494	2.8
145.05032	1.8
159.02957	2.7
161.04558	8.9
179.05580	3.3
193.04976	1.4
197.30121	0.9
221.06654	1.4
263.07581	1.1
291.18118	13.1
307.10474	1.4
367.12384	2.3
367.93582	1.2
378.07684	1.3
400.52750	1.3
437.23907	25.0
438.24393	3.1
497.27451	1.6
556.90289	1.1
599.29181	100.0
600.29553	14.8
623.29230	3.1
659.26697	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	659.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97775	0.3
52.83038	0.3
54.83874	0.3
59.01383	100.0
60.01713	0.9
61.98853	0.6
70.12985	0.9
70.13396	0.6
73.11588	0.2
78.95918	0.3
90.19214	0.3
102.22681	0.3
105.06030	0.3
114.99135	0.3
154.75554	0.3
276.00870	0.3
497.41501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49095	0.5
57.03453	0.5
59.01382	100.0
61.98835	0.7
71.61781	0.8
78.95889	0.8
94.89722	0.4
109.56533	0.5
119.66505	0.5
127.63734	0.4
259.57007	0.5
541.37329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90813	0.4
59.01381	100.0
60.01720	0.7
61.98845	0.9
63.34730	0.4
71.24579	0.8
82.82664	0.4
108.66092	0.4
111.47184	0.4
115.52111	0.4
116.40122	0.5
135.66724	0.4
199.13370	0.6
207.99365	0.4
214.11946	0.4
450.87653	0.5
620.48676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15683	0.5
59.01373	2.4
61.98831	100.0
67.48293	0.5
71.01382	2.7
71.60631	0.8
80.30610	0.4
85.02964	1.6
89.02468	1.8
95.01408	0.7
101.02465	1.4
102.01637	0.5
113.02444	2.5
119.03491	0.5
125.02461	1.0
128.03548	0.6
132.02220	0.7
132.48489	0.5
133.02998	0.7
134.03767	4.8
147.04578	0.6
149.06056	1.0
160.01637	3.2
161.04581	1.2
175.03984	4.9
176.04800	2.0
177.01987	0.5
178.02682	0.6
179.05717	1.1
191.07214	2.7
193.05077	5.7
202.02719	0.7
207.06674	0.7
217.05019	3.1
226.82034	0.5
227.13597	0.5
235.06152	6.2
239.18959	0.5
259.06210	0.9
265.07288	1.6
272.08917	0.7
280.11212	0.4
295.08218	0.6
301.89420	0.5
306.07700	0.5
308.47961	0.5
320.90848	0.5
337.09418	0.6
355.10803	1.1
397.11664	1.2
504.38672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42199	0.2
59.01378	1.0
59.01654	0.2
61.98830	100.0
62.98534	0.3
64.37856	0.2
66.45041	0.2
69.43739	0.2
71.01392	0.6
71.61274	0.2
73.01163	0.2
73.02965	0.2
77.70287	0.2
78.91910	0.2
85.02953	0.3
86.51258	0.2
87.00926	0.2
88.98833	0.2
89.02476	0.4
96.96008	0.3
99.04510	0.2
101.02475	0.5
113.02485	0.3
141.79530	0.2
296.07034	0.2
311.21622	0.2
389.95154	0.2
463.79910	0.2
513.98700	0.2
565.08978	0.3
598.39539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35936	0.4
57.72084	0.4
59.01381	63.2
60.01724	0.6
61.98836	1.8
66.13951	0.4
66.32250	0.4
66.73244	0.4
71.31006	0.6
71.37713	0.4
90.97125	0.7
97.14380	0.4
112.06321	0.4
118.96642	0.4
132.98199	1.4
136.86414	0.4
150.94803	0.7
157.03584	1.5
159.01514	1.2
174.99252	23.7
192.95868	4.9
201.02554	16.1
202.02673	1.9
217.00296	100.0
218.00607	2.2
239.54886	0.4
339.09607	0.4
343.03741	2.1
359.01471	32.6
360.01672	3.4
364.96924	0.4
374.99219	49.9
375.99484	2.6
424.19217	0.4
501.02875	0.7
513.09674	0.4
517.00378	8.6
518.00757	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10025	1.0
58.02977	8.8
59.01382	16.2
61.98828	9.9
63.87230	1.0
67.97721	1.0
69.65638	5.4
71.01383	9.9
72.00909	1.5
72.99300	1.3
73.02941	2.4
74.00691	4.1
74.02074	1.7
74.02476	22.6
82.02958	3.0
83.01389	2.6
85.02945	3.7
86.02471	7.4
86.06105	1.1
86.99091	2.2
87.00868	1.4
87.05647	4.1
88.98826	1.4
89.02441	3.0
90.00177	1.3
97.04053	2.8
98.19852	1.4
99.00880	2.6
99.04554	1.2
99.05641	18.5
100.00417	11.8
101.02444	7.1
101.07206	3.1
102.05617	3.1
104.98393	6.3
105.99675	1.2
107.06149	1.8
109.04065	3.5
112.03994	2.5
112.98783	2.0
113.02454	3.7
114.65302	1.1
116.01778	1.5
120.01198	1.2
123.05666	2.2
125.02609	1.5
125.03549	2.7
127.05156	3.2
128.03546	69.5
129.03905	1.2
129.40616	1.3
135.05656	5.4
137.07277	1.6
141.06686	4.6
142.99869	2.5
143.04630	80.1
144.01280	1.3
145.06183	4.1
146.02798	1.6
146.04602	8.9
153.06677	5.1
160.00734	17.3
161.04521	1.6
166.09850	3.6
167.04607	7.6
167.08246	3.1
169.06187	7.4
171.07834	1.9
173.00911	2.9
174.01701	29.8
175.01846	8.7
177.03354	5.0
179.04623	18.0
181.06180	3.8
185.05620	3.7
192.01575	2.1
197.05618	3.0
203.01381	2.2
203.04913	3.3
210.08858	17.7
211.01744	1.9
231.04442	1.5
249.03455	9.2
249.05824	2.2
254.07811	25.4
255.08083	1.2
272.08865	74.2
273.09161	4.7
279.00052	1.5
286.04999	7.2
288.06598	8.4
290.65686	1.1
304.06052	17.6
306.07654	100.0
307.07877	6.5
360.06946	4.6
378.07977	86.7
379.08316	7.7
412.06918	1.3
435.22232	3.4
436.23004	1.3
597.27747	7.4
598.27948	3.4
658.09094	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	658.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
59.79791	0.2
60.01729	0.2
61.98832	100.0
71.01397	0.4
85.62218	0.2
95.63077	0.2
96.96016	0.3
100.14729	0.2
101.02412	0.4
123.52147	0.2
173.00873	0.2
211.13530	0.4
215.36917	0.2
306.63873	0.2
360.58572	0.2
598.39264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	7.8
59.01383	8.0
61.01367	1.2
61.98817	4.4
66.03478	1.7
70.99092	1.5
70.99461	2.2
71.01379	4.9
72.27835	1.0
73.02924	1.2
73.33914	1.3
74.00697	5.4
74.02473	20.1
82.02979	3.7
85.04086	1.5
86.02480	8.8
87.05632	3.8
89.02455	2.0
90.00189	1.6
97.04049	1.6
99.05637	16.8
100.00408	10.9
100.86382	1.1
101.02427	2.9
101.07190	1.8
102.05597	2.6
104.98372	5.4
107.06113	1.9
109.04005	1.3
111.05659	1.1
112.04058	1.3
112.98827	2.3
116.01770	1.2
123.05663	1.9
125.02544	1.1
125.03555	1.9
127.05148	4.2
128.03539	63.6
129.03807	1.1
135.05594	3.7
137.07173	1.5
141.06691	5.2
142.25160	1.2
142.59158	1.2
142.99814	2.5
143.04620	72.3
144.04970	2.6
145.06212	2.7
146.02728	1.7
146.04582	6.8
151.05077	1.2
153.06709	5.6
160.00722	13.4
166.09833	2.8
167.04668	6.2
167.08279	3.2
169.06204	8.7
171.07784	2.2
173.00902	2.3
174.01691	37.5
175.01797	11.3
175.03790	1.1
177.03377	3.7
179.04585	13.7
181.06236	2.1
185.05618	3.2
192.01521	2.3
192.07556	1.2
197.05624	2.4
203.01257	1.7
203.04924	3.6
210.08820	16.0
211.01747	2.4
218.69418	1.1
228.09885	1.5
237.54959	1.1
249.03513	10.0
249.05859	1.9
254.05098	1.4
254.07799	22.3
255.08200	2.1
259.81689	1.2
262.12894	1.2
272.08859	74.1
273.09131	4.9
278.99997	3.1
286.05115	9.1
288.06570	8.6
301.44562	1.2
304.06104	19.3
306.07623	90.9
307.07831	6.3
360.06763	2.8
378.07962	100.0
379.08301	8.0
464.09274	1.5
658.08759	4.5
670.76941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77151	1.2
58.02980	7.1
59.01379	12.5
61.79610	1.4
61.98810	2.6
66.40974	1.2
69.79494	6.2
71.01391	4.3
72.00893	1.9
73.02958	1.4
74.00681	1.7
74.02480	26.0
75.00795	1.3
77.63039	1.4
80.67384	1.2
81.04585	1.5
82.02988	3.1
83.01389	2.3
85.02946	2.2
86.02464	8.8
87.05636	3.8
89.02457	1.6
90.00187	2.2
97.04129	2.4
98.19888	2.6
99.00867	2.2
99.05650	17.5
100.00400	7.4
101.02460	4.1
101.07203	2.6
102.05573	3.1
102.98624	1.2
104.98387	5.2
109.04078	2.6
111.05675	1.9
112.98849	1.5
113.02469	1.9
114.26086	1.2
119.03473	1.4
120.01305	1.9
123.05631	2.0
125.03548	2.3
126.01888	1.3
127.05118	3.7
128.03545	62.4
133.01297	1.5
135.05647	4.4
141.06682	4.5
142.99841	4.0
143.04623	73.5
145.06189	2.4
146.02846	1.4
146.04552	7.5
153.06715	5.4
158.93401	1.3
160.00723	15.7
161.86429	1.2
166.09875	2.8
167.04646	4.4
167.08231	3.2
169.06189	5.7
171.07779	1.8
173.00912	2.9
174.01701	32.7
175.01888	5.5
177.03459	4.0
179.04614	16.2
181.06194	1.7
185.05711	2.4
192.07947	1.4
197.05632	1.9
203.01314	2.2
210.08894	15.3
215.04787	1.2
231.04396	2.5
242.07942	1.8
249.03441	2.5
249.05597	4.0
249.65701	1.3
254.07840	23.2
272.08871	67.8
273.09183	3.8
279.00061	3.4
286.05026	2.9
288.06628	9.7
304.06088	9.7
306.07654	100.0
307.07904	5.2
360.07172	3.0
378.07986	85.8
379.08340	8.2
658.08289	3.1
658.35632	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	657.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72563	1.9
52.51050	1.7
54.66637	1.5
55.01896	1.9
57.03451	3.8
57.75825	1.6
58.00594	3.2
58.02974	3.9
59.01384	53.2
61.98829	9.4
70.92540	3.6
71.01388	50.6
72.99309	4.4
73.02959	11.0
74.02477	8.0
78.95898	1.9
81.29513	1.7
83.01385	8.8
85.02962	14.8
86.00091	2.1
86.02500	2.5
87.00875	8.6
88.98832	5.4
89.02452	31.0
95.01399	2.4
95.20245	1.6
97.02956	3.0
99.00901	3.2
99.05650	6.9
101.02445	43.1
103.04026	5.2
104.98382	3.9
113.02451	15.2
115.04040	2.3
119.03500	12.3
125.02463	7.5
125.03549	1.8
128.03549	28.6
129.02022	1.7
131.03508	8.7
135.05676	3.1
141.01872	1.7
141.06744	2.3
143.03514	8.3
143.04636	29.9
145.06203	2.6
146.04578	2.6
159.03012	2.2
160.00729	6.1
161.04561	8.1
163.06100	11.2
166.09859	2.2
174.01718	9.7
177.03346	1.8
179.04373	2.6
179.05898	8.5
188.09335	1.7
197.05763	1.8
203.05087	1.8
205.07195	6.7
210.08842	6.5
218.13431	1.4
221.06645	6.8
254.07889	9.5
271.02426	2.2
272.08862	32.5
283.02451	2.1
285.04028	4.7
288.06601	4.4
289.16635	3.6
304.05859	2.1
306.07642	60.5
356.14484	1.6
378.08029	28.4
435.22372	32.3
436.22653	4.0
446.09848	1.7
451.22150	3.1
458.24512	1.9
540.27216	1.8
597.27631	100.0
598.28015	16.8
619.16748	2.5
658.09064	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	657.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.0
61.98830	7.0
62.20366	1.1
69.82429	6.3
71.01383	8.0
72.99293	1.3
75.86362	1.0
83.01358	1.5
85.02950	2.0
87.00888	2.8
89.02451	5.2
101.02440	8.8
113.02453	4.7
119.03445	1.3
134.03743	2.4
145.05052	2.0
161.04578	1.8
165.12801	5.9
183.13899	72.6
184.14270	2.9
187.60847	1.2
193.05093	2.3
193.12416	1.0
200.18286	1.3
207.82028	1.3
209.11781	4.9
211.13394	38.3
211.15385	2.7
212.13794	1.7
227.12820	6.4
235.08165	4.3
253.09280	4.7
264.20514	1.2
315.26981	6.6
341.24622	2.3
343.11719	2.2
350.27826	1.2
359.26016	8.4
377.26984	12.7
378.27274	1.4
395.27887	4.5
463.21652	2.8
595.34851	5.9
613.36072	3.5
633.61871	1.1
657.34912	100.0
658.35266	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	655.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28299	0.6
55.01866	2.1
57.03435	2.0
58.00603	0.6
59.01382	32.6
61.98835	6.5
67.52774	0.6
68.76190	0.5
70.69121	1.5
71.01383	31.0
72.99297	1.7
73.02948	8.7
75.00869	0.7
77.57187	0.5
83.01391	4.3
85.02956	14.9
85.06584	2.1
87.00851	1.8
88.10152	0.5
89.02444	9.8
95.01371	3.1
97.02962	0.9
99.00874	3.2
101.01768	1.1
101.02444	22.4
111.00848	0.6
113.02451	12.3
115.07667	2.7
119.03512	2.8
125.02438	1.2
132.26080	0.5
141.98932	0.5
143.03477	1.2
159.03012	2.7
161.04556	11.7
168.14215	0.5
174.01619	1.0
176.44955	0.5
179.05577	1.1
274.89581	0.5
305.85132	0.5
317.83054	0.6
346.44351	0.5
415.51709	0.6
431.31616	2.1
433.33188	20.4
434.33475	2.8
595.38507	100.0
596.38837	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	656.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70377	1.6
61.98832	100.0
70.74615	2.7
70.74928	3.3
86.32265	1.8
87.94530	1.6
121.02948	23.3
130.52133	1.5
205.93083	1.8
209.04544	21.3
218.25696	2.0
226.39677	1.7
593.13098	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	657.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
61.98825	3.1
69.89679	2.0
71.00797	0.6
71.01383	7.7
84.77979	0.6
88.80828	0.5
89.03980	1.7
93.91029	0.5
101.02429	0.7
105.03466	0.5
109.02949	0.8
115.00375	23.1
117.03469	6.5
119.05045	0.6
125.64402	0.5
129.01962	3.1
133.02971	5.0
134.03746	100.0
135.04445	5.2
137.02451	2.9
139.04016	1.2
148.05316	0.9
149.06090	7.9
150.03133	0.6
159.04564	0.8
178.02722	2.9
179.03500	8.6
183.13907	3.2
185.06007	0.9
193.05058	87.2
194.05359	3.7
195.04509	1.6
196.04997	0.6
197.06168	0.6
199.04021	0.7
209.11852	5.4
211.13382	7.2
212.04816	1.3
213.05571	8.5
223.04047	1.4
224.04691	1.6
227.13019	1.0
235.06134	7.6
240.04120	0.6
241.05058	26.1
242.05598	2.7
249.07733	0.6
252.07643	0.8
253.09256	1.2
255.16191	0.6
256.07401	15.6
257.08115	3.8
265.07175	17.9
266.07632	0.9
267.06540	1.1
268.07370	1.2
269.08215	1.9
271.09750	22.0
272.10172	1.5
281.08359	0.6
283.09750	1.5
284.10489	2.0
295.06158	1.2
297.11304	3.2
298.08444	0.7
310.08481	2.3
313.10818	36.5
314.11023	2.7
325.10828	4.4
343.11853	48.4
344.12088	4.9
385.13022	4.5
386.13748	0.6
387.11066	0.8
493.18982	1.0
553.61627	0.6
559.01874	0.6
657.34650	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	657.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.0
58.00589	2.1
58.02967	2.9
59.01380	51.9
59.02505	1.5
61.98842	5.8
64.65591	1.5
66.30079	1.5
69.03460	2.3
71.01383	45.8
72.99307	2.5
73.02950	14.7
74.02480	8.1
83.01398	8.6
84.15967	1.4
84.78727	1.7
85.02959	16.2
86.02482	1.9
87.00869	8.2
88.98804	6.8
89.02445	30.6
95.01365	3.2
97.02959	2.3
99.00883	4.0
99.04566	3.0
99.05653	6.6
100.00414	1.9
101.02438	44.3
101.03075	2.5
103.04006	5.1
104.98355	1.9
113.02459	16.1
113.39951	1.6
115.04032	3.2
119.03522	13.2
125.02441	7.5
127.04011	1.9
128.03548	20.6
131.03482	9.8
141.06732	1.8
143.03485	6.7
143.04633	29.9
146.04585	3.6
160.00790	5.5
161.04514	7.4
163.06145	15.4
167.04549	1.9
167.08247	2.1
174.01723	12.1
179.04373	2.7
179.05898	7.3
181.06181	1.9
185.33716	1.8
205.07050	7.8
210.08794	7.2
221.06671	7.9
242.07767	1.6
254.07794	8.6
265.09155	2.5
272.08859	25.1
275.78229	1.8
286.04883	1.9
288.06546	3.8
300.25311	1.7
304.06171	3.5
306.07642	51.0
330.24228	1.5
378.08002	27.5
435.22321	32.1
436.22626	3.0
451.21866	3.0
580.37634	1.8
597.27643	100.0
598.28040	12.6
629.51294	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	655.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23359	1.8
53.45784	1.7
54.22142	1.6
55.49118	1.8
57.01777	1.8
59.01381	100.0
61.98040	1.9
61.98841	9.1
69.70821	1.7
70.63496	3.9
71.01385	2.7
79.27959	2.7
89.02469	2.6
96.99294	2.5
97.02949	4.3
99.00879	1.9
103.92088	2.4
112.06322	1.8
141.01717	69.6
141.17897	1.9
142.05060	2.3
152.99506	3.4
158.89217	2.6
255.23203	3.8
256.23465	3.0
277.21851	3.8
279.23108	2.4
310.63403	2.0
339.00183	10.5
343.14868	2.1
399.14111	2.6
417.14993	2.2
595.29156	5.3
598.51886	2.0
641.65112	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33943	1.7
52.42320	1.8
53.26251	1.9
59.01381	100.0
61.98832	7.2
71.84264	1.7
78.95899	4.3
87.92549	3.6
97.02940	4.6
97.06612	2.2
99.92594	1.7
130.63524	1.9
131.04616	1.9
141.01707	65.3
142.05095	3.9
147.18863	1.7
163.97458	1.9
171.94653	6.2
277.21762	4.0
279.23264	2.8
339.00189	6.8
357.24423	2.0
595.29205	4.0
623.15955	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.6
57.03445	2.3
59.01379	88.9
61.98829	6.7
63.99376	0.9
69.40288	2.0
69.40685	7.4
71.01382	43.5
72.99306	2.2
73.02943	9.7
75.00906	1.4
75.52380	0.9
76.09673	0.9
83.01392	5.5
85.02950	17.9
87.00861	2.9
89.02455	15.4
93.49739	1.0
94.80598	0.9
95.01404	3.2
96.95959	1.2
98.19844	1.9
99.00883	3.9
99.08153	1.3
101.01772	1.8
101.02444	31.5
111.00896	1.1
113.02451	17.7
119.03491	6.1
120.37114	0.9
122.56866	0.9
125.02441	1.5
128.03564	1.0
131.03528	1.1
132.36320	1.1
143.03450	4.4
159.02953	3.8
161.04570	27.6
171.10318	1.2
179.05621	4.6
224.02956	1.1
395.53232	1.0
433.33258	12.4
595.38513	100.0
596.38953	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	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
56.14260	0.2
57.03443	1.1
58.00594	2.4
59.01381	39.6
59.14888	0.3
60.01731	0.5
61.98823	0.3
68.99801	0.4
69.03458	2.5
70.03633	0.9
71.01383	35.6
72.01719	0.4
72.99309	2.6
73.02949	6.1
75.00871	1.0
78.95936	0.3
81.03444	2.0
83.01385	4.6
83.05021	0.4
85.02955	7.3
86.00089	0.7
86.93257	0.3
87.00873	8.1
88.01184	0.3
89.02445	34.0
90.02789	0.3
91.04012	0.9
93.03471	0.4
94.32858	0.3
95.01395	2.6
97.02954	5.7
98.20481	0.4
99.00871	2.4
99.04494	0.6
101.02445	31.5
102.02765	0.3
103.04008	0.5
109.02963	0.6
111.00864	0.9
111.04520	0.9
112.01704	0.3
113.02451	14.4
114.02786	0.4
115.04010	0.5
119.03503	10.2
121.02995	0.6
125.02446	12.1
126.02805	0.4
127.04038	0.7
131.03513	1.4
133.05058	1.1
137.02400	0.4
137.52956	0.2
139.04024	1.1
141.01933	0.9
142.02719	0.3
143.03503	6.5
149.02457	0.3
149.04553	1.0
153.01877	0.2
161.04555	6.8
162.04839	0.4
167.03493	0.8
179.05609	6.9
185.04500	0.7
199.06041	0.6
203.05534	0.5
208.47762	0.4
209.68109	0.2
217.07106	1.3
219.05011	0.3
221.06595	2.1
235.08211	14.3
236.08569	0.6
245.06638	0.9
253.09312	3.2
255.23286	100.0
256.23645	7.3
263.07715	1.3
269.24774	0.9
277.09299	0.8
287.07669	3.6
305.08847	3.7
323.09915	1.4
330.37717	0.3
361.11353	0.7
379.12415	0.6
397.13492	86.3
398.13806	6.2
415.14566	31.4
415.18701	0.5
415.20383	0.6
416.14951	2.5
653.37622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
57.03440	1.7
59.01381	70.9
60.01720	1.5
61.98834	10.9
70.40015	2.4
70.40391	1.8
71.01384	18.6
73.02948	6.7
73.97700	1.1
75.00920	1.3
83.01378	3.8
85.02945	8.1
87.00862	3.2
88.98805	1.9
89.02468	6.7
89.99558	1.1
95.01381	2.0
99.00879	4.2
101.02451	19.1
107.71436	1.2
111.00854	1.6
113.02451	7.3
119.03486	2.6
121.19457	1.1
134.03740	1.3
159.02943	1.4
161.04518	5.3
267.06516	1.3
431.31586	11.0
460.18054	2.1
477.10495	1.7
490.18665	2.3
593.36951	100.0
594.37317	15.6
645.76923	1.5
653.25128	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	654.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
61.98830	100.0
62.98540	0.2
69.29839	0.6
69.30267	0.6
71.01383	0.5
72.99313	0.1
73.02940	0.2
83.97747	0.1
87.00888	0.2
89.02433	0.3
96.96032	0.1
101.02458	0.4
116.92856	1.0
119.44949	0.1
120.56944	0.1
129.64630	0.1
145.05067	0.3
179.05721	0.2
215.66150	0.1
306.08017	0.1
338.46964	0.1
368.12830	0.2
369.13031	0.3
370.13174	0.3
594.23853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05177	0.3
52.76702	0.3
61.98823	0.3
62.96412	0.7
70.84937	0.5
70.85291	0.2
78.95905	100.0
125.09792	0.3
149.00087	5.4
153.82776	0.2
178.31549	0.2
179.01071	0.5
205.16002	2.2
257.15475	0.7
285.12662	3.9
286.13092	0.3
292.32635	0.3
322.38931	0.3
355.16763	2.6
385.17731	1.0
417.12463	0.3
447.13400	5.4
448.13889	0.3
653.30127	54.0
654.30469	9.7
655.10138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03448	1.2
58.00592	2.2
59.01382	40.2
60.01715	0.3
61.98824	0.5
67.01871	0.3
68.99834	0.6
69.03449	2.3
69.27139	0.2
71.01385	39.9
71.61741	0.3
72.01723	0.5
72.99307	2.8
73.02950	6.5
73.51211	0.2
75.00877	1.2
79.01871	0.2
81.03462	1.6
81.42463	0.2
83.01385	4.9
83.01867	0.3
83.05016	0.3
85.02956	8.3
86.00116	0.3
87.00877	9.8
87.04522	0.4
89.02447	34.4
90.02805	0.4
90.36487	0.2
91.04009	0.8
93.03442	0.4
95.01395	2.5
95.05043	0.3
97.02322	0.3
97.02953	6.7
99.00890	2.5
99.04536	0.4
101.02446	30.2
102.02798	0.4
103.00340	0.2
103.04025	0.5
104.42111	0.2
109.02971	0.6
111.00903	0.7
111.04520	1.3
112.01715	0.3
113.02453	15.3
115.04008	0.7
117.01910	0.2
119.03503	10.4
120.03889	0.2
121.02979	0.7
123.00890	0.4
123.04554	0.3
124.01675	0.5
125.02444	13.2
126.02831	0.3
127.04016	0.6
129.01904	0.3
131.03500	2.0
133.05081	1.3
137.02472	0.3
139.04021	1.4
141.01953	0.8
143.03505	6.2
149.02496	0.4
149.04585	1.3
150.54358	0.2
152.99612	0.2
157.05014	0.4
159.03084	0.2
161.04564	7.7
163.04071	0.3
164.54480	0.2
167.03523	0.8
169.05132	0.5
179.05612	6.9
185.04553	0.6
185.65141	0.2
199.06088	0.5
203.05684	0.4
212.01114	0.2
217.07176	1.2
219.05141	0.5
221.06674	2.3
232.77930	0.2
235.08231	15.5
236.08595	0.5
237.22273	0.3
245.06659	1.4
253.06662	0.2
253.09319	3.4
255.23300	100.0
256.23636	8.5
259.08109	0.2
263.07706	1.5
269.24884	0.7
277.09241	1.0
287.07742	3.4
305.08804	3.9
306.09009	0.2
323.09854	1.8
361.11349	0.7
379.12411	1.3
397.13495	85.5
398.13821	6.8
415.14563	32.6
416.14853	2.8
538.34753	0.2
555.70819	0.2
653.38000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88012	0.7
51.21966	0.5
52.39423	0.6
57.03439	0.8
59.01380	22.3
65.00308	1.2
67.01892	0.9
71.00988	1.2
71.01385	25.9
71.60165	0.9
72.99315	1.9
73.02962	6.0
75.00868	1.4
77.73153	0.7
83.01424	1.6
85.02961	9.7
86.00131	0.9
86.03593	0.8
87.00878	3.6
89.02449	23.7
91.01900	5.8
95.01390	3.7
97.02937	1.0
99.00883	2.6
101.02446	16.0
103.00359	0.7
107.01345	0.9
108.02191	2.8
109.02965	1.1
111.00896	1.0
113.02454	19.6
114.02782	1.0
119.03493	6.7
123.00906	1.1
123.04527	25.3
123.32652	0.7
125.02429	2.3
131.03503	3.9
143.03465	1.8
149.04597	1.2
151.00388	3.6
152.01155	7.6
159.02988	1.0
161.04564	10.9
166.02698	2.2
167.03494	100.0
168.03833	4.0
179.05620	15.6
181.05061	2.2
194.02219	2.4
209.04558	28.0
210.04924	1.0
221.06575	4.4
227.03404	0.8
239.05606	5.9
242.02249	1.5
243.02985	8.3
257.04541	2.3
269.06656	3.0
270.01749	1.5
271.02448	8.8
276.54807	0.7
285.04099	6.2
286.04892	1.7
296.05435	1.1
299.01996	1.5
300.02756	0.9
311.07660	1.9
314.04318	16.9
315.04962	3.1
329.08832	10.5
338.77188	0.7
343.10461	1.6
358.33517	0.8
371.09833	40.5
372.05850	0.7
372.10239	1.8
402.02408	0.7
477.10370	35.4
478.10754	3.2
635.18408	2.1
636.19635	0.9
639.09058	0.7
653.19794	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	653.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01391	3.1
62.72337	0.5
66.87802	0.7
67.87932	0.6
71.01397	3.5
71.09510	1.4
72.99303	0.9
75.00881	1.8
85.02946	6.1
85.65437	0.6
87.63995	0.6
95.01385	2.1
98.20668	0.9
99.00889	1.8
103.00285	0.6
107.01404	0.8
113.02457	7.7
114.60447	0.6
125.02440	0.8
143.33076	0.6
151.00360	2.6
153.89113	0.7
175.02486	3.0
191.57576	0.6
195.80719	0.6
199.03957	2.4
201.01952	0.7
204.04091	0.7
215.03461	1.1
227.03493	2.8
242.02176	4.9
243.02972	29.3
244.03325	1.9
247.33836	0.6
257.04593	9.6
258.04892	0.8
270.01700	7.2
271.02460	31.1
272.02853	2.2
285.04037	16.7
286.04797	5.9
299.02005	7.4
300.02841	4.8
314.04330	52.9
315.04941	11.3
316.05487	0.9
357.06183	1.7
477.10391	100.0
478.10648	11.5
519.11810	1.1
653.13043	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1516
Annotation	isorhamnetin 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
59.01385	4.0
59.84324	0.7
61.98831	100.0
62.98532	0.9
63.02401	0.9
63.99269	1.2
71.01376	1.8
71.10378	1.2
73.01157	0.9
79.16749	0.9
83.01404	1.1
85.02916	1.6
89.02429	1.5
90.93240	0.8
101.02464	1.1
107.01289	0.9
116.92896	0.8
117.03484	1.0
119.03472	0.7
132.02142	3.8
134.03728	7.7
138.05592	0.8
149.06055	1.7
149.99506	0.8
151.00356	3.6
158.14151	0.7
160.01662	12.3
161.02443	1.7
174.01741	1.4
175.03999	12.5
176.04440	1.0
178.02725	1.5
179.03549	0.9
193.04944	3.7
199.04016	4.0
201.01962	1.3
203.03416	0.8
213.88113	0.8
215.03526	3.0
227.03502	3.4
242.02222	3.3
243.02969	17.7
244.03526	1.2
255.02969	9.5
257.04541	2.4
270.01776	3.4
271.02469	26.6
272.02966	2.8
283.02405	0.8
285.04083	4.1
286.04733	1.7
299.01987	32.9
300.02710	19.5
301.03210	1.4
313.03510	1.3
314.04318	28.2
315.05084	45.8
316.05457	3.1
323.07657	1.3
324.49298	0.8
337.09354	4.0
368.84598	0.8
459.09384	14.4
460.09686	1.1
477.10416	3.8
653.15131	38.9
654.15332	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	650.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.00082	0.2
59.01377	3.8
61.98832	100.0
62.20986	0.2
69.49704	1.6
71.01390	2.8
72.01723	0.3
72.99335	0.3
73.02958	1.0
74.64420	0.2
75.00879	0.4
83.01408	0.5
85.02946	1.3
87.00891	0.7
89.02448	1.1
93.03467	0.3
95.01387	0.4
96.96021	0.9
96.96941	0.5
99.00893	0.5
99.92566	0.3
101.02470	1.7
113.02443	1.9
113.06082	0.2
116.92854	1.5
119.03511	0.7
119.05012	0.3
123.04503	0.2
133.01396	0.3
143.03481	0.2
143.04936	0.3
145.02965	0.2
151.00339	0.6
157.35060	0.2
161.04639	1.1
164.86829	0.2
165.09230	0.2
175.02516	0.3
178.75174	0.2
179.05641	0.5
179.51910	0.2
183.04552	0.5
187.04106	0.2
189.05608	0.2
205.05080	0.3
205.12303	0.3
211.04039	0.5
223.13463	1.2
227.03470	2.2
227.05275	0.2
229.05074	0.6
241.04953	0.2
255.02985	11.0
256.03882	0.4
257.04523	0.5
263.09747	0.3
271.09726	0.2
283.02484	16.6
284.03262	3.5
285.04044	21.9
297.04022	0.3
315.14899	0.3
327.05194	0.8
327.08643	0.3
446.08496	3.0
447.09329	4.0
489.10379	4.7
531.11365	0.4
547.24194	0.6
589.26440	0.3
590.26373	1.0
615.28601	0.3
651.15747	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	651.96
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.1
61.98829	100.0
68.10100	0.3
69.49320	0.8
69.49744	0.9
71.01389	1.4
73.02956	0.4
83.01382	0.2
84.20347	0.2
85.02938	0.6
87.00886	0.4
88.72444	0.3
88.98821	0.5
89.02441	0.8
95.01379	0.2
101.02453	1.3
113.02470	0.8
115.00423	0.3
119.03541	0.3
160.01683	0.4
161.04526	0.4
173.07541	0.2
174.01642	0.4
175.04033	0.4
218.23512	0.2
233.60909	0.2
243.03017	0.4
255.03021	0.6
257.04514	0.5
271.02524	0.6
279.00143	0.5
284.03165	0.3
285.04077	0.3
299.02036	0.7
300.02542	0.3
314.04318	0.9
315.05145	0.9
459.09311	0.4
540.76544	0.3
567.65198	0.3
621.29651	0.3
621.79791	0.4
651.31854	0.3
653.14923	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	653.1362
Annotation	Tamarixetin 5-glucoside-7-glucuronide
Peak:m/z	Relative Intensity
57.03447	0.8
59.01377	3.4
61.98836	4.8
70.29668	0.4
71.01390	4.6
72.99309	0.6
75.00878	1.0
85.02962	6.3
87.00877	2.7
89.02445	1.7
95.01392	1.6
99.00887	2.2
101.02457	0.7
107.01383	0.7
113.02463	8.8
117.01943	0.7
117.03461	0.6
118.03829	0.7
129.01918	0.5
135.21892	0.4
139.97684	0.4
145.02948	3.0
146.03297	1.5
147.03459	0.9
149.02490	0.5
151.00360	2.2
161.04585	0.5
163.04120	0.5
175.02550	2.7
178.99910	0.7
179.05542	0.8
199.04027	1.6
201.01941	0.5
204.04517	0.5
215.03500	1.6
227.03491	2.8
242.02193	4.3
243.02989	23.3
244.03371	1.8
255.03052	0.9
257.04575	7.6
258.04730	0.6
270.01678	5.5
271.02469	25.4
272.02829	1.5
285.04044	15.6
286.04758	5.2
287.05276	0.5
296.34036	0.4
299.01999	6.5
300.02692	3.5
307.88474	0.4
313.03586	0.4
314.04330	47.6
315.04947	9.7
316.05566	0.5
357.06161	0.8
379.18164	0.4
400.13916	0.6
477.10391	100.0
478.10699	11.2
519.11511	1.4
653.13550	3.9
654.13593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63185	2.2
55.01883	3.0
57.03445	11.5
59.01380	73.6
60.53790	2.3
61.98837	13.3
65.63694	2.2
69.03449	8.1
71.01385	92.8
72.99295	2.9
73.02948	45.1
74.95929	2.4
78.95900	2.7
81.03436	4.0
83.01380	13.8
85.02951	44.8
87.00877	14.3
89.02441	39.0
93.03496	2.2
95.01402	10.6
96.96030	11.4
97.02964	7.6
99.00894	10.5
99.04527	14.2
101.02447	100.0
113.02457	50.3
115.04021	2.7
119.03559	19.4
119.05027	81.7
124.98684	2.2
125.02451	53.1
127.03986	3.0
128.03529	2.7
130.77328	2.0
131.03519	16.0
134.80412	2.2
143.03535	16.5
143.04555	3.5
145.03023	5.5
145.05058	43.8
149.04521	2.8
159.03003	4.2
161.04568	60.7
179.05626	63.9
193.05052	3.5
203.05698	2.6
211.07661	4.4
221.06691	25.3
223.13490	2.8
230.03491	2.9
247.08258	37.1
248.08589	2.4
255.03152	4.4
265.09152	3.9
284.03311	6.1
285.03903	4.2
306.07602	3.6
353.10287	4.5
367.12381	24.7
388.97348	2.6
397.13364	2.7
401.18018	4.2
406.19162	2.9
409.13550	20.0
469.15607	85.5
470.15894	6.9
497.51447	2.7
589.20972	6.6
605.24792	6.5
649.30750	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	649.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65084	0.6
54.11051	0.8
57.03153	0.7
57.03449	27.5
59.01381	60.4
61.98822	2.6
63.07244	0.5
66.62695	0.5
69.03455	1.6
71.01384	21.6
71.38834	1.3
72.99311	0.8
73.02950	15.2
81.03460	0.8
83.01392	5.0
83.05013	1.3
85.02953	2.3
85.06598	1.2
87.00871	1.1
89.02449	3.8
89.44833	0.7
96.95981	0.8
97.02946	1.0
97.88631	0.7
99.00877	1.9
99.04525	2.4
100.44431	0.6
101.02448	19.5
113.02457	4.6
115.04014	6.9
119.03501	1.5
125.02433	2.2
131.03571	0.7
139.76691	0.6
143.03487	1.5
149.04585	1.4
161.03383	0.6
161.04517	3.3
167.14400	4.8
177.16463	1.6
179.14473	0.9
195.17577	1.1
199.33289	0.6
203.05554	1.2
209.22191	0.6
221.15468	3.4
235.94446	0.7
239.16518	83.7
240.16866	5.4
257.17667	0.8
274.05811	0.8
278.18005	0.7
309.41425	0.6
401.22046	3.3
419.22723	5.4
443.22855	9.3
444.22922	1.1
461.23917	100.0
462.24310	12.6
503.24942	17.7
504.25162	2.0
543.27637	0.8
660.83496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.6
71.01385	6.2
72.99324	0.5
73.02942	1.2
85.02927	2.2
87.00897	0.9
89.02447	8.4
95.01342	0.5
101.02441	4.3
113.02454	4.4
117.03469	28.9
118.03802	1.0
119.03525	2.7
119.04996	4.9
125.02476	0.8
131.03493	1.1
133.06621	0.4
143.03464	1.6
145.02953	100.0
146.03304	4.3
159.04494	0.4
161.04538	3.1
161.06041	1.2
163.04021	9.7
179.05626	10.7
187.04027	3.3
205.05028	3.3
217.05183	0.5
221.06671	1.5
229.04904	1.0
235.06087	1.0
263.07675	0.4
265.07117	0.5
291.08649	0.5
307.08163	0.9
325.09250	3.8
367.10294	14.2
368.10812	1.4
370.07510	0.5
427.12241	0.7
529.15729	0.7
599.80939	0.5
618.45935	0.5
649.19904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65059	0.3
59.01380	4.7
69.71656	1.8
71.01389	4.4
73.02942	1.3
79.29769	0.3
80.60112	0.3
83.01375	0.5
85.02954	1.6
87.00916	0.6
89.02444	4.8
95.01394	0.3
97.02969	0.8
98.19932	0.5
99.00858	0.3
101.02448	4.9
105.06678	0.3
113.02446	2.5
117.03472	30.8
118.03798	1.3
119.03553	2.1
119.05022	5.9
120.05302	0.4
125.02390	0.6
131.03525	0.7
143.03508	0.8
145.02956	100.0
146.03300	4.8
159.03047	0.4
159.04419	0.4
161.04562	3.7
161.06081	1.0
162.04959	0.4
163.04012	9.9
164.04271	0.6
179.05611	5.6
187.04007	6.8
188.04346	0.5
205.05058	2.2
221.06630	1.5
243.81732	0.3
263.07809	0.4
265.07138	0.9
289.07083	0.4
323.09894	0.3
325.04214	0.3
325.09021	0.3
341.10922	1.9
383.11865	1.5
397.11484	0.4
427.12488	1.2
469.13577	1.7
487.14706	1.6
529.15723	8.5
530.16669	0.8
608.14325	0.3
649.19849	4.0
650.20215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64167	0.4
59.01378	4.2
63.24724	0.4
69.03484	0.4
70.72781	0.6
70.73119	0.6
71.01388	5.0
73.02950	3.0
83.01391	1.0
85.02936	1.7
87.00875	1.0
89.02448	3.5
90.11351	0.3
95.01414	0.7
97.02966	1.7
99.00846	0.3
101.02448	6.1
102.44138	0.4
103.33624	0.3
113.02454	2.8
115.03995	0.7
117.03469	31.6
118.03810	1.4
119.03531	1.5
119.05025	5.9
131.03506	1.3
133.06667	0.4
143.03493	1.4
145.02956	100.0
146.03279	3.4
161.04578	7.1
161.06020	1.0
163.04004	9.5
164.04398	0.5
179.05617	4.1
187.03995	6.2
205.05086	2.7
221.06664	2.0
226.83075	0.3
255.50514	0.4
263.07681	0.9
265.07245	0.4
289.07162	0.6
307.08249	0.4
325.09128	0.4
341.10834	1.3
383.11957	2.2
427.12759	0.8
439.47092	0.4
469.13498	1.8
487.14719	2.2
529.15637	11.6
530.16058	1.2
581.12457	0.4
647.70502	0.5
649.19763	3.8
650.20862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56358	0.9
58.00585	1.3
58.52694	0.9
59.01383	31.3
60.00238	0.9
71.01387	19.4
72.99301	1.2
80.28718	0.9
83.01383	1.9
85.02942	3.0
87.00862	1.3
88.89896	1.2
89.02444	22.2
95.01430	1.8
96.96014	1.2
101.02447	12.8
110.83752	1.0
113.02451	8.0
119.03506	10.4
130.08742	1.7
143.03464	1.1
143.08812	1.1
145.84651	1.0
178.14189	1.0
183.30594	1.1
186.60985	1.0
236.52948	1.1
244.95840	1.3
274.06433	1.1
296.07016	1.0
305.15393	2.3
323.13464	100.0
324.13931	6.4
324.99042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98140	0.1
55.43419	0.2
56.79609	0.2
57.03450	0.4
59.01379	1.3
61.98829	100.0
62.98546	0.2
71.01383	1.0
73.02950	0.3
75.41854	0.2
79.69604	0.1
83.01386	0.2
84.92681	0.2
85.02961	0.3
87.00883	0.3
88.98829	0.3
89.02441	0.8
92.63651	0.1
96.96011	0.4
98.19852	0.4
99.00883	0.3
99.04506	0.4
101.02460	0.7
113.02458	0.4
113.99588	0.2
116.92870	0.6
123.04510	0.2
125.02484	0.3
128.03552	0.3
143.04697	0.3
145.02953	0.2
149.06180	0.2
149.09106	0.2
152.01216	0.2
161.04590	0.2
167.03476	0.3
174.01715	0.5
175.02495	0.4
255.03006	0.3
284.03409	0.2
285.04108	0.7
306.07855	0.6
323.09891	0.2
422.49930	0.2
587.29144	0.2
588.28723	0.3
648.19165	0.4
648.36786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46809	0.3
55.85448	0.3
58.00595	0.4
59.01382	7.8
71.01384	8.1
73.02937	1.1
73.99506	0.3
83.01389	0.3
85.02956	1.9
87.00878	0.8
89.02448	8.0
89.03974	0.4
95.01405	0.7
101.02443	4.4
113.02459	5.0
117.03468	33.5
118.03832	1.1
119.03529	3.2
119.05030	5.6
120.05338	0.3
125.02466	0.7
128.96338	0.3
131.03506	1.2
133.06610	0.5
138.62561	0.3
143.03506	1.0
145.02956	100.0
146.03297	4.4
161.04575	2.4
161.06065	1.1
163.04019	8.6
177.05440	0.5
179.05608	11.3
187.03996	4.1
193.04764	0.3
205.05048	2.9
207.94128	0.3
217.05110	0.4
220.24901	0.3
221.06700	1.1
229.05106	0.5
235.06131	0.9
265.07242	0.4
305.08798	0.4
307.08282	0.9
325.09326	4.0
367.10312	15.9
368.10693	1.5
409.11301	0.8
427.12424	0.6
530.55316	0.4
631.19141	0.6
649.20007	1.0
650.20093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
64.69567	0.2
69.54348	0.5
69.54763	0.8
72.43924	0.2
83.05026	0.7
89.03975	3.4
98.20627	0.4
101.02429	0.3
106.04248	0.5
107.63629	0.2
117.03466	9.8
118.03804	0.4
121.03007	0.2
128.03624	0.2
133.02942	0.3
134.03740	95.1
135.04073	2.8
137.02425	0.5
149.06075	6.0
162.53650	0.2
169.79567	0.2
178.02762	1.2
190.06783	0.2
193.05051	100.0
194.05391	4.3
225.16103	0.8
247.13802	0.2
306.07785	0.3
329.14197	0.2
333.22861	0.2
433.31839	0.5
451.32861	16.3
452.33118	1.7
628.46185	0.3
645.38873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32261	1.8
55.01878	1.6
57.03453	29.3
59.01381	62.9
61.98827	12.4
71.01385	26.0
71.61894	2.2
72.99308	1.9
73.02946	16.6
83.01394	7.0
83.05030	2.1
85.02961	4.4
87.00896	3.3
89.02441	8.0
94.54083	1.6
96.96032	2.8
99.00880	2.8
99.04529	4.9
100.21247	1.6
100.96571	1.7
100.99531	1.5
101.02440	21.2
108.34914	1.5
111.42626	1.6
113.02444	5.8
115.04015	38.7
116.92868	4.9
119.03500	4.2
120.97846	2.3
121.10213	10.8
125.02451	4.9
131.54588	1.8
143.03520	2.9
143.04575	2.1
149.04509	1.7
161.04567	5.7
173.00873	1.8
174.01727	2.2
175.02330	1.8
175.14896	7.5
203.05928	1.7
219.13916	21.9
220.14246	3.7
226.49341	1.8
230.80769	1.9
237.14957	50.4
238.15280	3.6
255.15825	2.8
399.20007	5.3
417.21387	8.1
441.21024	11.4
459.22372	100.0
460.22836	10.0
501.23468	15.4
636.36359	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	645.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28061	0.9
51.32134	0.9
55.01884	1.1
56.64395	1.0
57.03451	2.0
59.01376	7.1
61.98834	72.7
65.00335	1.4
65.60461	1.1
67.35329	0.9
67.59704	0.9
69.96818	4.0
71.01388	6.8
73.02934	1.5
83.01374	1.3
83.01818	0.9
85.02937	3.3
88.98799	5.0
89.02428	3.7
93.03452	2.9
99.00860	0.9
99.04517	2.2
101.02457	5.9
108.65686	1.1
113.02437	3.0
113.77454	1.0
116.92861	1.4
121.02970	6.2
122.03739	1.8
123.04525	3.4
125.02444	2.4
130.36760	1.0
132.99352	1.0
134.03717	2.1
134.06075	0.9
135.04538	4.4
136.01602	1.5
137.02423	3.3
138.03262	1.6
143.03525	1.2
146.03683	2.1
149.02452	29.9
150.03270	10.7
151.00349	2.3
151.04042	7.5
152.01120	7.7
161.04553	1.7
163.04031	6.4
164.03436	1.6
164.04808	24.2
165.01932	15.5
165.05583	7.2
166.02740	8.1
167.03442	2.2
169.05029	3.7
174.01711	1.8
177.05624	1.4
179.03572	5.5
179.05644	1.0
179.07124	19.4
180.04282	4.8
181.05078	18.6
192.72289	0.9
192.99744	1.5
193.01413	21.9
195.06615	7.7
207.02969	2.9
208.03772	40.1
209.04280	3.8
211.06105	6.2
222.05363	5.2
223.06117	100.0
224.06448	6.1
225.07730	1.1
235.06081	2.5
237.07620	9.4
255.02849	1.2
265.07071	1.2
271.02390	1.2
285.03955	1.3
297.07715	1.0
300.02759	2.7
301.03485	2.1
359.11359	2.7
359.27856	1.1
389.12048	1.5
449.14166	1.5
500.06766	1.1
503.16791	1.2
503.32288	2.7
521.33105	2.7
557.36255	1.0
625.13654	2.1
627.20679	2.4
629.24194	1.0
645.21326	6.6
645.38330	1.0
646.21716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19666	0.6
55.36758	0.6
59.01381	51.6
61.98838	4.4
65.23396	0.6
71.01382	2.8
72.99317	0.7
73.02914	0.7
78.95892	0.9
85.02926	1.1
86.02452	0.9
87.00865	2.4
88.98791	0.6
89.02448	0.8
93.03510	0.9
96.96017	6.8
96.96968	2.3
99.92576	1.7
101.02457	1.1
107.01408	0.9
113.02464	1.8
116.92863	4.9
119.62628	0.6
128.03575	0.9
137.02412	1.6
143.04590	0.8
151.00360	2.5
165.01926	11.8
167.03456	1.4
175.02422	0.6
179.03477	5.7
180.04301	8.5
180.47322	0.6
182.05792	2.0
183.04504	2.0
194.05818	1.3
195.06619	13.7
197.08214	2.9
210.05331	2.9
211.03990	2.0
225.07672	21.5
227.03500	2.1
230.30972	0.9
255.02977	41.1
256.03473	4.8
283.02469	98.8
284.03024	15.1
285.04028	9.6
306.07550	1.6
307.07974	1.3
345.09808	2.0
360.12082	5.0
375.14438	17.9
376.14893	2.1
423.16589	19.5
424.16995	2.3
446.08502	12.9
447.09232	5.6
609.14587	100.0
610.14886	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	645.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33151	0.8
59.01381	31.0
61.98834	5.4
71.01394	3.7
71.37994	1.9
78.95920	1.8
80.62737	0.9
83.01411	1.4
87.00903	1.4
88.98873	1.2
89.02421	1.2
96.96014	5.9
96.96970	2.7
99.92587	2.0
113.02431	1.6
113.29720	0.9
115.00348	0.9
116.92850	7.1
121.91089	0.8
125.02439	1.9
137.02483	1.2
151.00343	2.6
165.01918	6.1
179.03522	3.6
179.05690	1.0
180.04300	5.0
182.05832	1.5
183.04517	2.2
195.06651	7.6
197.08168	2.1
210.05289	1.3
211.03986	2.3
217.54951	0.8
225.07655	10.6
227.03569	2.1
255.02969	41.7
256.03430	3.2
283.02481	96.0
284.03067	13.8
285.04053	10.5
286.04486	1.0
306.07571	1.3
330.08997	0.9
360.12097	2.0
375.14560	10.8
423.16724	9.8
446.02902	1.7
446.08578	14.7
447.09119	3.8
609.14587	100.0
610.15002	17.0
644.32684	1.0
645.33972	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	645.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03450	3.5
59.01381	31.2
67.01900	3.4
67.39085	0.6
68.99819	1.6
69.03468	1.3
69.48480	2.0
69.48902	2.5
71.01385	53.5
72.99305	1.6
73.02945	8.8
73.44554	0.6
78.03847	0.6
78.95902	0.9
83.01398	5.6
85.02953	34.4
86.00096	1.3
87.00874	9.8
89.02444	2.2
95.01393	6.3
96.96000	2.8
96.96968	1.5
97.02952	1.8
99.00885	2.3
100.01691	1.2
101.02448	10.1
109.02943	1.7
110.03612	1.4
111.00867	4.9
112.01691	0.7
113.02455	32.4
114.02806	0.8
115.04088	0.7
125.02443	1.4
127.18916	0.7
129.01932	1.8
131.03517	6.4
137.02408	1.1
138.11220	0.7
139.00351	2.0
143.03508	0.9
148.41678	0.6
155.03505	1.5
157.01396	1.0
167.03426	0.8
173.04533	6.2
189.03957	2.3
191.05548	1.0
201.03993	1.5
205.07201	1.0
215.05537	1.3
227.05548	1.6
233.06738	1.1
245.06638	6.0
263.07770	3.8
287.07837	0.7
288.18832	0.8
305.08759	4.3
317.08774	1.6
329.08920	1.1
359.09482	0.8
377.10803	1.4
453.12509	1.2
513.14453	4.6
543.16052	1.2
567.15851	2.7
585.16724	20.4
586.17010	2.4
603.17725	1.9
645.18829	100.0
646.19232	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	644.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07959	1.3
58.02981	7.9
59.01389	8.5
61.98826	7.7
64.95241	3.9
66.16820	1.1
68.34212	1.1
69.27046	3.7
69.27455	8.4
70.02982	1.3
71.01384	6.4
72.00896	2.4
74.02479	17.0
78.95920	2.9
79.93968	8.6
82.01086	1.0
82.02954	1.8
84.04537	1.2
85.02949	3.4
86.02489	9.5
87.00899	5.9
87.05630	3.4
88.04028	1.8
89.00589	1.3
89.02456	3.4
96.96026	11.6
96.96971	4.1
97.04050	1.7
99.05660	14.1
101.02476	3.3
101.07208	2.1
102.05618	1.9
102.96794	1.7
109.04053	2.2
111.05631	1.3
112.04036	2.5
113.02442	4.6
115.00384	6.8
115.01031	1.1
119.05087	1.8
120.97887	8.2
122.06180	1.2
123.05658	1.6
127.05124	3.6
128.03548	51.4
131.14948	1.3
135.05652	3.0
137.07240	2.0
141.06682	2.4
143.04631	63.4
144.05029	1.5
145.06140	2.8
146.04628	6.7
153.06711	3.6
160.00706	7.3
166.09888	2.6
167.04584	4.6
167.08232	3.0
171.07780	5.1
175.02554	8.7
177.03319	2.9
179.04602	13.7
179.40530	1.5
181.06247	2.3
185.05690	4.5
192.07860	1.6
196.54092	1.2
199.07230	3.4
210.08774	13.1
212.14070	1.2
215.11880	3.6
216.12177	1.9
227.03543	2.4
227.11800	1.9
229.13393	1.8
230.13766	1.5
254.07848	19.0
255.03085	3.0
255.08058	1.8
257.12979	8.7
258.13226	4.1
272.08871	69.8
273.08978	2.8
283.02438	1.3
284.03262	2.9
285.03909	3.8
288.06454	3.6
301.11969	2.5
302.12277	1.4
305.08575	2.1
306.07654	100.0
307.07910	6.4
319.12820	2.8
346.10773	22.2
347.11044	1.5
378.07953	1.6
394.07507	17.7
428.06241	25.2
463.17368	2.8
464.17441	4.4
481.18271	7.0
482.18567	7.3
493.23627	1.3
644.23315	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	643.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82301	1.5
59.01379	24.7
60.01715	2.3
61.98830	13.6
71.01400	4.4
71.32442	3.7
79.95736	3.2
80.05067	3.2
80.96526	2.2
85.02966	2.8
85.36861	1.6
87.00877	2.0
89.02424	2.3
94.06611	1.8
94.18182	1.7
96.95994	5.6
96.96955	2.6
101.02444	4.9
104.98393	2.9
106.06635	2.2
107.03796	8.2
108.26911	1.7
113.02471	4.1
115.92117	1.7
120.08185	19.1
122.06120	60.3
128.03557	2.4
132.04614	3.0
134.06120	10.0
143.04659	1.9
148.04114	2.3
152.07167	65.4
158.33371	1.5
174.01591	1.8
174.05574	1.6
190.05063	4.1
200.70543	1.4
208.78407	1.8
217.38480	1.8
223.08702	8.4
224.09496	3.4
225.10358	3.2
237.10320	9.7
238.11047	4.3
239.11824	5.2
245.12862	3.8
249.06674	2.8
251.08235	4.1
251.11899	6.7
253.09938	1.9
253.13390	1.7
263.08154	5.1
264.09027	6.5
265.09781	7.0
271.10788	4.4
277.09760	4.5
279.11395	30.0
280.12024	4.1
285.12173	2.2
291.11383	6.6
292.12213	2.5
295.10928	4.1
306.07495	4.2
323.10339	9.1
324.10898	4.1
325.11960	3.6
339.09882	3.1
355.13000	2.4
360.16898	2.1
402.18100	13.9
417.20563	2.2
444.19171	13.1
445.19934	3.7
448.18692	4.1
461.19446	3.4
488.18213	17.3
489.18866	14.5
490.19290	3.8
520.20746	15.2
521.21826	3.5
567.26160	34.4
568.26367	6.0
571.64294	1.7
593.22723	2.1
611.25061	100.0
612.25452	17.8
643.27649	27.9
643.35986	1.5
644.28168	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	642.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32303	1.2
54.43941	1.4
57.03466	2.3
58.02976	8.4
58.49626	1.4
59.01390	10.4
61.98832	14.5
63.94457	3.7
64.95246	9.0
70.99598	2.4
71.01387	13.4
71.59941	2.4
72.99301	3.6
73.66908	1.3
74.02477	27.7
74.99133	1.8
75.00891	2.0
75.02731	2.1
79.11193	1.3
79.93965	2.8
81.32347	1.6
82.03007	2.1
82.05568	1.7
83.01424	2.9
85.02952	12.6
85.68611	1.4
86.02480	8.3
87.00877	5.7
87.05637	5.1
88.04049	2.0
88.98811	3.5
89.00671	4.2
89.02459	6.6
95.01399	2.6
97.04088	5.1
99.00890	6.5
99.05644	16.5
100.00403	11.2
101.02473	2.7
101.07220	3.9
102.05615	4.2
102.96833	2.2
105.76975	1.5
111.00921	1.6
112.04064	2.4
112.98823	8.7
113.02458	25.0
115.00377	2.0
116.98284	1.4
119.03464	1.4
119.05004	2.1
120.01260	4.0
120.97873	25.7
122.06171	2.2
123.05603	2.6
124.07762	1.6
125.03554	4.2
127.05138	5.2
128.03543	68.5
129.03862	3.0
130.08711	2.3
132.02220	2.5
134.03748	3.3
135.05649	5.3
137.07216	2.5
141.06659	4.2
142.99849	3.9
143.04626	90.6
145.06223	2.8
146.04605	12.2
151.00346	1.7
153.06674	4.4
160.00618	8.4
160.01825	2.5
161.02306	2.1
166.09865	5.7
167.04614	4.3
167.08263	3.8
169.06219	2.1
171.07756	2.8
173.00787	3.1
175.01965	5.7
175.03835	7.5
177.03413	3.0
179.04594	15.5
181.06189	5.0
185.05693	2.6
191.01366	2.5
192.07756	1.9
193.05040	3.0
197.05740	3.1
197.91161	1.4
202.05544	1.9
203.04883	2.2
210.08812	14.8
211.04057	1.7
226.06142	1.4
227.03505	5.7
254.07829	33.5
255.03003	9.8
257.12903	4.5
265.03134	12.3
272.08871	100.0
273.09158	4.3
284.03278	11.3
285.03989	11.3
286.04172	2.8
288.06683	5.5
301.11902	8.8
304.06262	9.1
306.07648	87.8
307.07983	7.5
328.09567	2.1
346.10712	15.3
376.06326	3.7
394.07458	49.7
395.07690	4.7
463.17221	1.7
473.12000	2.9
554.14832	9.3
554.64496	2.2
555.14368	2.3
642.65643	1.6
673.00763	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	643.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	1.4
59.01381	19.0
61.98845	2.0
71.01382	11.1
72.99316	1.6
74.02473	2.3
79.93949	1.2
83.01383	1.1
85.02939	5.3
87.00884	8.0
89.02460	5.9
95.01476	1.8
96.96063	1.3
99.00889	1.5
99.05643	2.3
101.02429	6.8
106.06636	1.2
113.02460	9.9
118.01344	1.1
119.03515	3.0
122.06103	2.0
124.07729	2.6
128.03566	7.3
130.00067	1.2
132.04565	3.4
136.07674	4.2
143.04587	7.1
145.09598	1.1
146.04538	1.1
160.00648	1.3
175.02441	1.5
196.83722	1.2
200.09520	6.4
210.08855	2.7
213.10323	4.2
214.11115	4.5
215.11884	38.3
216.12180	3.1
224.09630	1.5
225.10231	1.4
226.11131	4.9
227.03569	1.6
227.11884	13.4
229.13437	18.0
229.45517	1.4
239.11868	15.6
241.09941	1.5
242.10573	1.8
243.17126	1.7
254.07884	2.5
255.03006	2.6
255.11391	4.0
256.12158	9.0
257.12943	73.1
258.13336	6.6
259.10864	24.4
260.11264	1.5
272.08844	8.8
273.12350	1.2
283.10666	1.6
284.03177	3.2
284.11691	1.6
285.04135	3.2
286.04318	1.6
300.11108	5.0
301.11926	12.7
306.07574	12.6
315.13422	2.5
319.13077	1.3
343.13043	3.8
346.10858	2.0
358.39307	1.1
383.12689	1.2
394.07602	2.6
419.18066	5.6
421.16150	3.0
428.06662	2.6
463.17209	46.6
464.17484	6.2
481.18286	100.0
482.18762	10.0
488.00040	1.4
505.18271	5.8
523.19391	4.2
625.22607	9.5
643.23602	35.9
644.23877	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.5
59.01378	28.3
60.88305	3.2
61.98829	35.4
71.01383	27.0
72.99310	4.1
73.02955	5.5
75.99483	2.8
78.82964	2.6
81.03465	3.7
81.13701	2.9
83.05024	9.2
85.02949	10.4
87.00871	11.9
88.98783	3.1
89.02445	9.1
97.02974	3.7
101.02455	18.0
104.98404	3.5
111.08159	9.6
113.02439	12.1
119.04981	3.8
125.09724	18.8
145.05092	6.2
161.04567	5.7
171.10274	100.0
172.10666	4.4
205.15918	7.4
209.11763	16.1
211.13332	14.4
213.12994	5.0
215.14401	9.4
221.15387	4.5
233.15491	41.1
235.08167	14.5
237.14813	3.8
249.14969	44.7
250.15338	5.1
253.09227	7.7
291.16071	3.4
336.52597	3.8
341.24759	8.3
357.24258	3.9
367.22595	6.3
375.25479	6.4
385.23770	34.3
403.20074	4.7
403.24951	61.2
404.24997	8.1
421.25928	17.7
438.48737	3.7
485.23566	5.8
539.27399	5.2
545.11475	3.4
621.32831	99.0
622.33209	21.0
639.33850	79.9
640.34125	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	639.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67808	0.7
59.01384	2.2
61.98827	1.3
63.02408	0.6
65.00341	1.1
69.25973	1.7
69.26398	4.0
73.66102	0.6
83.01395	1.5
85.02950	0.9
87.00874	1.2
88.98818	2.2
89.02437	1.2
98.20724	0.9
101.02428	1.2
107.01377	2.1
113.02400	0.6
120.99663	1.7
125.02415	0.8
143.04732	0.7
151.00381	6.8
157.02911	0.8
161.04527	0.8
164.01178	0.7
167.04889	0.6
169.01439	0.7
171.04530	1.4
175.02487	2.1
178.99928	2.3
183.04532	2.4
187.00246	0.6
187.04007	1.1
199.04015	7.5
201.01974	1.1
203.03574	1.3
206.18626	0.6
211.03897	0.8
214.02660	0.7
215.03535	3.3
216.66618	0.5
226.02658	0.6
227.03520	7.5
229.01443	0.8
242.02229	6.9
243.02979	34.4
244.03455	2.5
255.02991	11.5
256.03485	1.1
257.04575	6.7
270.01691	8.8
271.02478	46.3
272.02982	3.9
272.08807	0.7
285.04047	13.3
286.04807	3.9
287.05563	1.9
299.01978	71.5
300.02646	18.8
301.03360	1.5
306.07614	3.9
313.03506	3.3
314.04318	78.5
315.05035	37.5
316.05548	2.0
357.06311	1.1
459.09473	4.3
463.09253	0.7
486.26602	0.7
639.15662	100.0
640.15979	16.0
642.06830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.7
58.22589	1.4
59.01384	15.9
60.99295	1.6
61.98836	7.7
65.00348	2.2
71.08984	1.2
72.99306	3.1
73.02924	1.8
74.02488	2.0
75.00867	3.6
78.95927	1.3
83.01372	6.8
85.02948	4.9
87.00875	8.1
88.98798	7.6
89.02444	4.9
97.71928	1.6
99.04539	8.5
99.05688	2.3
101.02450	6.7
101.04025	1.5
107.01385	2.2
113.02441	7.1
115.00383	5.2
116.92856	1.7
119.03496	2.7
121.02935	2.0
123.54454	1.3
125.02471	9.0
128.03514	4.2
135.03017	2.6
143.04634	5.8
151.00391	10.1
155.03519	1.8
161.04556	3.3
163.00348	1.6
171.10262	2.2
175.02518	7.7
175.03874	1.6
178.99823	2.9
179.05682	1.8
183.04471	2.4
197.11707	1.7
199.03972	7.1
210.08853	2.3
215.03514	3.9
218.40691	1.3
227.03491	7.7
240.04343	1.7
242.02269	6.5
243.02972	33.8
244.03412	2.8
253.09457	1.8
255.03033	11.1
257.04550	6.2
270.01627	6.5
271.02490	43.4
272.02911	5.2
272.08954	3.0
285.04041	16.0
286.04724	4.8
299.01974	71.0
300.02579	16.4
301.03494	4.3
306.07678	17.0
313.03622	4.0
314.04324	75.6
315.05057	33.6
316.05435	2.7
459.09421	2.1
463.09210	3.0
477.10568	1.8
521.22345	3.2
639.15668	100.0
640.15497	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	639.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30884	0.3
52.00822	0.4
52.63694	0.3
57.03452	0.6
59.01386	1.7
61.98836	3.8
63.02424	0.4
63.61486	0.3
65.00363	0.3
67.75660	0.3
67.95322	0.3
69.89476	1.7
69.89857	0.6
72.99313	0.5
73.77498	0.3
79.09337	0.3
83.01409	0.5
87.00878	1.0
88.98798	1.2
89.02454	0.9
90.09667	0.4
92.07593	0.3
97.20384	0.4
98.19978	0.4
101.02434	0.5
107.01361	0.5
113.02445	0.5
121.12873	0.4
121.91852	0.4
125.02473	1.0
151.00378	2.0
152.59087	0.3
178.99866	0.6
198.03241	0.5
214.02667	1.9
226.02689	0.4
241.01385	1.5
242.02199	17.0
243.02629	1.9
243.69849	0.4
245.00935	4.3
254.02254	0.5
255.02882	0.4
270.01697	27.9
271.02258	3.8
273.00549	0.6
282.01633	0.6
285.04062	12.1
286.04327	0.5
298.01163	6.4
299.01965	3.5
300.02682	1.7
301.03528	1.4
306.07507	0.4
307.13980	0.4
313.03534	100.0
314.04068	11.5
315.05045	5.8
316.05374	0.5
357.06097	0.4
463.08826	1.1
476.09467	4.0
477.10431	4.8
513.75562	0.4
586.72638	0.4
639.15680	79.8
640.16010	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	639.1566
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
59.01353	1.6
60.99280	1.4
61.98799	1.6
63.02380	0.7
65.00304	1.0
69.56599	2.3
69.57022	1.2
74.45186	0.5
83.01391	1.6
85.02927	2.1
87.00856	2.2
88.01207	0.6
88.98804	10.7
89.02442	1.2
96.95988	0.6
98.20617	0.7
107.01369	2.8
108.02164	0.8
113.02451	2.7
120.01242	1.0
124.01608	0.6
125.02351	0.6
136.01642	0.8
148.01677	0.8
151.00362	10.4
152.01097	0.5
163.00290	1.0
164.01149	1.4
169.01390	0.9
175.02509	1.0
178.99837	1.4
189.01851	0.8
198.03188	0.9
199.03955	0.9
200.04645	0.5
211.03883	0.5
211.46666	0.6
214.02704	2.8
215.03459	1.2
216.04156	0.5
219.58133	0.5
226.02692	1.6
227.03366	2.4
241.01393	2.2
242.02202	18.3
243.02934	7.1
244.03508	1.1
245.00941	6.1
254.02338	0.9
255.03122	2.4
257.04648	2.4
270.01697	31.8
271.02438	14.2
272.03183	1.0
282.01718	0.8
283.02481	1.6
285.04047	13.6
286.04675	2.6
298.01260	7.2
299.01996	9.2
299.05334	0.8
300.02753	39.9
301.03473	14.1
301.06757	0.4
302.03729	0.7
312.02719	1.2
313.03531	100.0
314.04181	22.7
315.05087	79.1
316.05411	7.0
327.05017	1.4
329.06787	0.5
343.04578	0.9
357.06070	4.9
381.05893	0.6
461.07394	3.3
462.07516	0.9
463.08820	10.5
464.09052	1.4
476.09607	18.6
477.10413	92.2
478.10693	11.6
489.10294	0.6
519.11414	7.2
520.11823	0.6
639.15704	39.5
640.15582	5.9
645.27924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44888	0.2
59.01379	0.3
61.98822	0.8
67.67054	0.2
69.33585	1.7
69.33995	0.4
71.68078	0.3
73.02946	5.2
75.00869	0.3
78.95932	0.2
80.80270	0.2
84.09603	0.2
98.19829	0.2
99.00881	0.7
99.92583	8.7
100.41440	0.2
100.92617	0.3
106.31522	0.2
115.00394	0.2
116.03562	0.4
116.92862	100.0
116.97226	2.6
117.01941	11.3
117.92870	4.3
136.03220	0.2
139.80872	0.2
279.23303	0.5
629.01611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1203
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
59.01374	1.2
63.02394	0.5
64.23029	0.4
65.00326	0.5
70.11192	1.0
70.11616	0.6
71.01371	2.0
71.27092	0.3
83.01399	0.5
84.62859	0.3
85.02961	2.0
87.00867	0.4
98.20509	0.5
99.00865	0.6
103.00375	0.4
107.01402	1.5
108.02204	0.5
113.02470	2.0
119.59528	0.4
121.02953	1.0
125.02433	1.1
151.00383	5.9
163.00374	1.3
169.01372	0.4
174.03261	0.4
175.02428	0.5
178.99879	2.8
184.09081	0.4
188.04733	0.4
190.02826	0.4
193.01239	0.5
198.03131	0.3
199.03943	0.4
203.03487	0.4
211.04024	0.5
215.03419	0.4
216.04201	0.4
226.02731	4.6
227.03459	1.8
228.04085	0.5
229.01476	0.4
243.02965	9.3
243.05247	0.6
244.03458	0.7
254.02194	4.8
255.02957	5.7
271.02478	47.6
271.71640	0.4
272.02979	4.6
273.03882	0.5
283.02557	0.7
283.14969	0.3
285.03915	0.4
300.02753	57.6
301.03464	18.7
302.03949	1.0
313.03513	0.7
315.05075	0.7
343.04480	1.0
373.05463	0.3
383.17020	0.3
395.38873	0.4
463.08817	100.0
464.02863	0.7
464.09164	11.7
477.06253	0.7
505.10034	1.9
533.09601	0.5
535.10840	1.9
547.10773	0.8
559.11261	0.6
639.11993	11.1
640.12329	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1207
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
52.54434	0.6
56.66499	0.5
57.03463	0.8
58.67857	0.5
59.01381	4.1
60.99311	1.0
61.98827	2.7
62.98061	0.5
63.02419	2.1
65.00321	3.9
70.78481	1.4
72.99348	0.8
76.39701	0.5
79.95757	0.6
83.01383	3.6
83.38075	0.5
85.02949	4.5
87.00883	4.0
88.98813	5.2
89.02459	1.4
93.03468	1.0
95.01427	1.3
96.96004	0.6
99.00908	1.9
101.02491	1.1
107.01395	9.5
109.02989	0.8
113.02460	6.2
115.00422	0.6
121.02966	7.0
125.02457	1.3
128.03600	1.1
143.04701	0.6
149.02449	1.2
151.00377	40.7
152.00835	1.2
161.02380	0.6
163.00403	0.7
163.03993	0.7
164.01192	0.8
169.01511	1.8
175.00447	0.6
175.02486	1.5
178.99861	19.1
180.00266	0.8
192.00751	0.8
193.01526	0.9
193.05092	0.9
205.05144	0.7
227.03333	0.8
229.05028	0.7
239.31677	0.6
245.04524	0.8
255.02992	1.2
271.02548	1.1
273.04099	2.1
283.02554	0.7
285.03903	0.9
299.02014	1.7
300.02887	3.0
301.03531	100.0
302.03888	6.5
304.05969	0.8
306.07358	0.8
313.03448	3.1
314.04257	1.2
315.05087	1.7
336.60016	0.6
343.04495	1.4
373.05551	0.7
385.44382	0.5
413.81198	0.6
440.87354	0.5
459.05673	0.9
463.08841	38.6
464.09216	3.1
477.06204	11.7
478.06891	0.9
510.25296	0.7
519.07867	2.2
639.11926	28.2
640.12286	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	639.1565
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
59.01375	0.9
61.98824	0.5
62.01670	0.3
63.02417	0.4
63.02769	0.3
65.00307	0.4
69.15014	0.3
69.35410	1.6
69.35828	1.0
83.01408	0.3
89.78443	0.3
101.02422	0.4
107.01398	0.9
108.02187	0.3
125.02441	0.4
135.00829	0.6
148.01701	0.3
151.00381	3.4
155.05020	0.4
163.00349	0.5
171.04463	0.6
178.99829	0.5
183.04498	0.7
187.03947	0.5
198.03316	0.3
199.04036	2.7
201.01932	1.1
203.03505	0.5
203.67442	0.3
211.04079	0.4
214.02682	0.3
215.03488	1.9
226.02686	0.7
227.03496	3.6
242.02202	4.8
243.02969	23.8
244.03537	2.3
254.02147	0.9
255.02980	10.5
256.03482	1.2
257.04578	4.5
259.06064	0.6
270.01672	4.8
271.02469	34.8
272.03040	5.3
285.04031	8.6
286.04651	2.6
287.05511	1.6
299.01962	20.7
300.02734	27.6
301.03113	2.4
313.03348	0.7
314.04321	25.9
315.05087	100.0
316.05408	8.0
357.06125	0.8
379.64664	0.4
639.15637	49.4
640.15845	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	633.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
56.05668	0.9
57.03449	10.9
59.01382	35.0
61.98833	100.0
62.98531	1.2
69.03468	1.8
69.34890	8.5
71.01386	16.8
71.69511	0.8
73.02950	6.6
75.00887	3.8
77.70026	0.8
81.03471	1.3
83.01396	3.8
85.02954	10.3
87.00889	5.3
89.02451	8.9
89.58207	1.0
96.96035	0.9
97.02934	2.9
99.00902	2.0
99.04524	16.5
101.02446	13.9
104.23165	1.0
105.33056	1.0
113.02449	8.0
119.03495	3.8
124.01638	1.9
125.02463	12.4
143.03505	5.3
143.04443	1.0
151.07690	1.6
152.08473	2.0
153.09207	5.5
161.04605	6.5
161.09715	6.9
179.05624	3.3
179.10788	2.6
205.12387	8.7
223.13383	17.8
235.08234	1.1
257.09561	1.1
263.07758	1.6
276.88040	1.0
281.14078	1.2
309.16965	2.1
347.03601	1.1
354.57770	1.1
367.17618	1.9
385.18539	1.9
427.19839	2.4
445.20743	2.1
529.22913	12.0
530.23492	1.2
547.24011	13.7
548.24420	2.9
555.50500	1.3
589.24536	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	635.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	30.6
58.00604	1.9
59.01386	100.0
60.01693	2.1
61.98830	4.1
62.10749	1.6
69.03455	2.9
71.01389	39.2
72.99301	2.1
73.02966	14.4
83.01390	7.6
83.35477	1.7
84.90904	1.7
85.02954	16.0
87.00900	5.2
89.02454	22.2
95.01385	6.9
98.19868	7.2
99.00884	3.8
99.04530	43.3
101.02448	30.0
102.14059	1.8
113.02454	24.3
114.03761	2.0
119.03506	8.6
125.02438	17.8
126.61114	1.5
131.03503	2.7
143.03468	7.4
149.09700	6.8
161.04539	5.8
167.10783	11.2
170.46655	1.7
179.05635	3.0
193.05045	2.3
195.13928	2.4
197.15384	3.2
207.13795	2.9
225.14969	17.2
258.16455	1.9
369.19165	37.9
370.19601	3.1
387.20288	57.9
388.20569	5.2
429.21313	36.3
430.21539	3.8
447.22159	5.9
497.20297	3.7
527.21466	2.3
531.24445	25.6
532.24396	3.2
549.25403	14.7
550.25653	3.0
554.19427	2.2
591.26703	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	635.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06274	1.6
54.14374	1.5
55.01888	2.0
57.03444	7.6
59.01381	100.0
61.98845	2.4
69.27525	3.3
69.27926	11.6
69.93647	1.6
71.01382	57.4
72.99306	4.3
73.02937	10.4
75.00879	1.9
78.95897	3.3
83.01398	5.1
85.02961	18.9
87.00874	21.5
89.02447	39.0
91.13711	1.4
95.01375	7.8
97.02932	2.7
99.00920	3.6
99.04529	8.4
101.02443	31.0
113.02451	39.7
113.03599	1.6
118.36642	1.7
119.03517	14.7
125.02477	7.4
128.03554	2.7
131.03493	3.4
137.09656	2.2
143.03479	3.6
149.04578	3.0
160.01689	2.2
161.04582	14.7
179.05635	6.5
225.14963	2.6
255.03029	2.9
284.03387	2.7
304.89099	1.6
369.19186	9.6
387.20279	8.0
429.21237	3.2
454.44418	1.7
480.04013	1.6
486.18741	2.3
531.24475	65.6
532.24799	7.7
549.25525	42.5
550.25806	4.2
591.26685	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	636.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.1
69.54775	0.2
73.02947	5.2
98.20666	0.5
99.00869	0.8
99.92582	8.3
100.92631	0.3
114.93398	0.3
116.92860	100.0
116.97239	2.6
117.01937	11.4
117.05548	0.3
117.92869	4.9
127.71927	0.3
131.24159	0.2
194.15938	0.2
229.61011	0.2
279.23370	0.6
334.59351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.6
59.01385	1.8
61.98824	1.7
70.99335	0.4
71.01387	15.7
71.60277	0.5
72.99307	5.4
73.02926	0.5
83.01383	0.5
85.02955	1.3
86.06706	0.4
87.00880	0.5
89.02464	0.9
95.01379	0.4
96.99302	0.4
99.04502	0.7
101.02431	1.0
111.00861	0.4
113.02465	1.1
115.00374	5.3
121.02979	0.9
125.02447	0.7
132.02145	0.7
134.03738	31.3
135.04091	0.8
137.02467	6.0
139.03998	1.9
141.39238	0.4
143.03488	0.6
145.03018	0.4
149.04871	0.7
149.06075	12.5
150.03185	0.4
150.06401	0.9
157.01474	0.5
160.01662	4.4
161.04565	0.8
175.03976	5.6
176.04749	0.5
178.02718	29.2
179.03162	1.1
191.07060	1.0
193.05051	100.0
194.05392	3.9
215.14105	0.5
232.25179	0.4
235.06108	1.6
259.04645	1.1
277.05652	0.9
355.10333	52.6
356.10645	4.1
453.10309	3.3
465.46344	0.5
471.11447	24.2
472.11731	2.5
495.11545	0.6
513.12781	0.9
517.14978	0.5
633.16614	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	633.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	83.1
58.03802	1.2
59.01382	97.7
60.01713	1.4
61.98831	6.8
62.40609	0.9
63.62518	1.1
69.46330	3.7
69.46751	4.3
71.01385	8.7
73.02934	4.9
74.00666	2.4
75.00862	1.5
81.03460	2.5
85.02946	3.4
87.00858	1.5
89.02442	3.3
94.64164	1.1
98.03748	1.5
99.04524	100.0
99.21820	1.2
100.00417	11.5
100.04808	1.4
101.02451	17.2
113.02431	4.4
113.06103	5.2
116.01698	1.5
116.92844	2.5
119.03510	1.7
121.03003	1.2
123.08156	2.0
125.02447	58.2
126.08910	1.3
137.09723	3.0
141.09198	8.8
143.03477	3.7
153.09181	4.1
161.04561	4.1
163.11292	3.1
165.09233	10.2
169.32088	1.3
175.01823	4.5
175.07520	1.4
175.11240	1.1
177.12830	2.4
178.84430	1.4
179.10806	1.9
187.11241	4.0
190.10097	1.3
193.12317	2.1
203.05652	3.0
205.12329	14.4
208.10979	1.8
222.69843	1.1
223.13411	37.9
224.13736	2.1
241.14470	6.3
249.03722	7.3
285.03973	1.6
385.18457	4.6
401.26437	1.2
403.19522	4.1
427.19733	2.0
445.20804	30.0
446.20819	1.8
471.83295	1.2
487.21844	3.0
504.59848	1.3
575.10474	1.3
589.25049	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	633.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39903	0.9
52.64674	0.9
56.87611	0.8
57.03447	74.1
58.03786	1.4
59.01379	89.3
60.01713	1.6
61.98836	7.5
71.01374	4.6
73.02949	3.7
81.03459	3.3
83.01392	1.2
85.02988	1.1
89.02457	1.3
99.04520	100.0
100.04860	1.8
101.02444	15.2
113.02456	2.0
125.02447	49.4
143.03477	4.8
161.04575	3.7
188.11417	1.1
196.70299	0.9
203.05760	1.3
205.12437	1.4
221.06656	1.0
223.13379	4.3
263.10458	1.0
365.06180	1.1
445.20862	2.4
447.49570	1.1
487.21695	1.5
526.84167	1.1
589.25061	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	633.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.1
61.98832	1.2
69.58991	6.3
70.62664	0.9
71.01388	51.8
72.62971	1.0
72.99312	15.5
85.02974	2.0
89.02451	1.8
101.02451	3.1
109.02966	8.0
113.02464	3.8
115.00381	14.8
123.04530	1.1
132.02158	3.2
134.03755	23.8
135.00880	4.8
137.02432	3.3
147.04494	1.4
149.06094	11.0
149.92351	0.9
153.01947	25.4
160.01669	30.5
161.02161	1.0
161.04553	2.9
175.04008	52.7
176.04550	3.0
178.02721	13.5
191.07112	3.5
193.05061	100.0
194.05403	2.7
199.33267	0.9
202.98407	0.9
206.41730	0.8
217.05017	3.7
231.27682	1.1
235.06113	9.7
259.04523	2.4
265.07288	1.1
277.05615	2.0
295.08179	3.8
297.06180	17.4
315.07172	3.9
339.12616	0.8
355.10364	54.2
356.10596	3.1
435.12949	2.4
453.10336	9.6
471.11438	21.3
472.11414	1.6
517.15405	1.1
633.16327	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	632.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74313	0.5
58.02980	4.6
59.01366	1.9
61.58212	0.5
61.98826	2.5
63.96222	0.6
71.01385	1.2
72.00897	1.7
73.01174	6.9
73.98325	0.5
74.02078	0.9
74.02474	9.9
82.03014	0.9
84.04537	0.6
86.02480	5.7
87.05643	2.0
88.04079	0.7
90.00203	0.8
95.99651	0.5
97.04088	1.2
97.73124	0.5
99.05651	8.3
100.00407	1.4
101.02454	0.8
101.07200	1.5
102.05586	1.2
105.01960	0.8
105.71914	0.6
106.36385	0.5
109.04095	1.2
111.05640	0.8
112.04033	1.1
112.58617	0.5
113.02454	0.5
113.03566	0.7
114.87695	0.5
116.01750	0.9
120.97923	0.9
123.05647	0.7
123.23524	0.5
125.03551	1.3
127.05132	2.2
127.62521	0.6
128.03549	27.8
130.05090	0.9
135.05655	1.3
137.07227	0.7
141.06651	2.2
142.99840	0.6
143.04633	34.5
144.05011	0.9
145.06224	3.8
146.04601	3.7
153.06642	2.7
155.08232	0.9
160.00729	7.8
166.09859	1.1
167.04643	2.2
167.08247	1.8
170.03343	0.9
171.07748	3.2
177.03407	2.1
179.04636	7.5
180.04845	0.6
181.06219	1.9
184.10907	0.9
185.05682	2.0
192.07886	0.7
197.05728	1.3
198.08832	0.9
199.07162	0.6
203.96300	0.6
210.08836	6.9
228.09941	0.9
230.27469	0.6
242.07945	0.6
254.07814	8.3
272.08868	18.2
273.09271	1.3
288.06522	3.4
304.06131	3.8
306.07663	100.0
307.08054	5.4
328.09839	1.1
341.85370	0.6
346.10797	14.5
347.11014	0.9
378.08084	1.9
395.08215	0.9
396.09280	0.9
470.46411	0.8
589.24976	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	632.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03460	1.3
57.03445	15.0
59.01381	35.5
60.97530	14.2
61.98827	13.9
62.99128	1.6
63.96244	57.2
71.01393	11.6
71.60920	2.0
73.02940	10.3
76.97033	44.0
78.98588	2.4
79.95741	51.9
80.96531	4.4
83.01397	3.9
85.02943	3.7
89.02451	5.6
89.47298	1.4
95.01426	1.8
97.02946	1.9
99.04528	16.3
101.02465	14.7
103.28580	1.5
113.02472	5.9
119.03540	2.4
125.02435	8.8
128.03584	1.7
143.03494	3.4
161.04590	5.1
177.60007	1.4
205.12323	7.2
221.06818	1.8
222.12079	1.6
228.06998	100.0
229.07323	4.0
243.12254	1.5
246.58414	1.5
303.79422	1.5
367.17459	1.7
385.19046	1.7
445.21057	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	633.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
58.02969	0.8
59.01382	5.3
61.98831	5.3
63.96228	0.4
69.41784	3.9
71.01388	2.5
72.99308	0.6
73.01179	1.5
73.02966	0.8
74.02445	2.1
82.03009	0.5
83.48464	0.4
85.02959	0.7
86.02473	1.2
87.05610	0.5
89.02439	1.4
95.01355	0.5
96.96017	4.6
97.02962	0.7
98.14474	0.4
98.95605	2.5
98.96390	0.5
99.00893	0.7
99.04549	2.1
99.05632	2.1
99.92586	31.9
100.92606	1.5
100.93359	0.7
101.02457	2.1
111.00886	0.7
113.02444	1.2
114.94968	0.7
115.92075	11.5
116.92865	100.0
117.92897	5.0
117.93649	0.7
119.03498	1.0
125.02435	1.5
125.03484	0.5
127.05088	0.5
128.03534	6.1
128.84244	0.4
129.03839	0.5
140.92836	0.4
141.93655	1.6
142.94432	0.5
143.03528	0.8
143.04608	6.7
144.04926	0.6
146.04567	0.5
151.00346	0.4
156.52232	0.4
156.92368	1.3
158.93932	2.0
160.00729	1.1
161.04570	0.9
167.04575	0.5
171.07782	0.9
173.92665	0.6
174.01692	0.5
179.04640	1.4
184.91841	5.0
185.92644	0.6
186.93414	0.5
202.92899	0.9
203.05606	0.7
207.94749	0.6
210.08841	1.7
217.08336	0.5
225.95874	0.5
227.03514	0.5
242.95973	1.2
243.96805	1.9
254.07864	1.6
255.03036	3.1
255.08183	0.5
256.03702	0.5
272.08917	3.9
273.09299	1.1
283.02554	4.1
284.03217	3.1
285.04108	3.2
285.98059	0.5
286.04468	0.7
295.94815	0.5
302.98172	0.7
303.98965	2.6
304.06155	1.4
305.06070	0.6
306.07675	12.2
307.07922	3.4
325.69901	0.5
346.10800	3.7
347.10971	1.5
365.94650	3.6
366.95486	3.7
367.96063	0.9
368.96976	1.0
378.07925	0.5
382.94980	0.9
383.95813	1.6
384.96451	1.6
385.19571	0.5
396.96640	1.9
411.20419	0.7
445.20636	0.7
510.99826	0.9
547.01935	5.8
548.02179	0.7
553.00757	0.7
571.02008	1.2
589.03046	9.1
590.03107	1.4
609.59863	0.5
633.01752	8.2
634.02155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3619
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
50.92232	8.8
53.14267	10.6
56.88245	9.1
59.01368	17.2
61.98829	100.0
64.43456	8.0
69.13563	8.8
69.49805	65.8
71.01381	9.0
72.82693	8.2
74.05356	9.8
90.33716	9.9
99.04535	12.2
108.82848	9.0
112.98832	9.3
126.21105	9.1
129.12596	8.5
130.23190	7.9
143.12404	8.7
174.01746	19.5
193.05197	15.2
206.32846	10.8
243.73766	8.4
256.75870	8.1
268.72116	8.9
480.68634	10.2
527.86816	9.7
564.77161	10.5
631.36169	73.9
632.36774	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	632.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32507	0.9
54.97574	0.8
55.01832	0.9
57.03435	1.0
58.02976	6.5
59.01371	4.1
61.98819	2.8
63.96240	1.6
65.30894	0.8
71.01367	2.7
72.00887	2.5
73.01174	9.9
73.98308	1.8
74.02467	15.2
78.53678	1.0
81.02183	1.5
82.02989	1.5
85.02911	1.0
86.02479	9.3
87.05634	2.7
87.27517	1.0
88.04044	1.1
89.02454	1.7
96.96018	1.3
96.96972	1.5
97.04063	2.4
98.02481	1.1
99.04590	2.0
99.05632	10.6
100.00447	2.2
101.02406	2.2
101.07210	2.6
102.05562	1.0
108.78888	0.9
109.04015	1.2
114.00178	1.4
116.01731	1.2
120.97868	1.5
122.03349	0.9
123.05590	1.2
125.03527	2.1
127.05151	2.3
127.08784	1.7
128.03539	45.4
129.03778	1.0
130.05086	1.2
132.29669	1.0
135.05638	2.8
139.05002	1.1
141.06709	2.2
143.04620	47.1
145.06178	5.0
146.04591	5.2
153.06754	2.4
155.08267	1.2
158.40550	0.9
160.00746	8.2
166.09868	2.1
167.04659	2.6
167.08282	1.7
171.04100	1.8
171.07779	7.5
176.91408	1.2
177.03352	3.2
179.04602	9.7
181.06209	1.9
185.05637	2.7
196.28738	1.0
197.05559	2.7
199.07208	4.2
210.08818	10.6
217.08324	1.4
228.09924	1.1
244.09370	1.7
254.07785	12.4
272.08884	33.3
273.09354	2.0
288.06705	5.2
304.06091	13.4
305.08826	2.1
306.07642	100.0
307.07990	5.7
328.09613	2.4
346.10764	35.6
347.11026	2.3
378.08017	7.1
395.08102	4.9
643.29144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96186	0.7
59.01369	1.3
61.98831	4.0
70.13925	2.9
70.32693	0.7
71.89400	0.6
73.02967	4.8
75.00877	5.4
99.00871	3.0
99.92587	12.7
102.65187	0.8
109.02606	1.0
115.03986	0.9
116.03549	1.4
116.07186	1.9
116.92862	100.0
116.97243	1.8
117.01942	12.7
117.05569	2.7
117.92870	4.4
177.86240	0.7
233.30609	0.8
277.21838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71346	1.4
59.01384	2.1
61.91365	1.1
61.98828	3.9
62.22488	1.6
68.34718	1.4
73.02946	4.5
75.00883	5.6
78.95883	1.5
87.00870	1.6
88.14719	1.3
99.00910	1.7
99.92609	12.9
111.09856	1.2
115.00357	1.3
115.04050	2.4
116.03609	2.1
116.07191	3.4
116.92859	100.0
116.97240	4.3
117.01936	14.7
117.05589	3.8
117.92883	4.9
233.19429	1.2
408.21072	1.5
545.40485	1.4
630.52094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	4.4
57.03451	64.4
59.01378	94.2
61.98837	15.3
69.48597	18.2
71.01376	13.6
73.02959	13.8
75.32654	2.5
81.03444	3.9
83.01396	7.8
99.04520	100.0
101.02451	30.9
114.51372	2.6
125.02454	66.6
155.03503	3.6
160.08440	2.5
161.04588	5.0
174.01712	6.1
211.64049	2.6
235.91940	3.5
264.28760	2.9
270.19012	2.6
308.94089	3.0
437.02536	2.6
470.90637	3.0
579.76941	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	629.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98831	0.9
62.40193	0.3
71.01378	0.9
72.99304	0.4
73.02959	0.5
74.02470	1.0
77.03960	3.1
80.96511	0.5
84.75257	0.3
89.02427	0.5
89.03998	1.6
93.03464	0.6
95.05034	7.0
95.50232	0.4
96.96030	0.4
99.05676	0.5
101.02463	0.6
105.03461	21.3
106.03821	0.4
113.02484	0.6
121.02955	0.5
123.04519	2.5
128.03549	2.5
132.02177	0.8
133.02960	100.0
134.03244	3.1
143.04605	3.3
149.02458	1.1
151.03976	0.7
160.00685	0.4
177.01936	55.1
178.02267	2.4
179.04579	0.5
193.04991	0.5
210.08868	0.5
223.06129	0.7
227.03484	1.4
229.74174	0.5
254.07840	1.1
255.03012	3.0
256.03525	0.5
272.08841	2.4
284.03320	5.0
285.03778	0.6
288.06412	0.5
306.07657	3.0
378.07837	1.0
593.15186	5.4
593.64819	0.4
594.15143	0.8
610.25018	0.4
629.19080	0.8
629.34387	0.8
630.13763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03731	0.6
61.98845	3.1
63.29583	0.6
71.01389	14.2
71.16605	1.5
71.38906	0.6
73.09209	0.6
89.03982	1.5
91.19212	0.7
93.96416	0.7
109.02957	2.7
113.34972	0.8
115.00377	49.8
117.03475	5.8
119.04987	1.2
121.02949	1.1
133.02972	5.7
134.03746	100.0
135.04570	4.6
137.02455	3.8
139.03972	1.3
147.04494	1.0
148.05330	1.2
149.06075	7.8
149.54680	0.7
159.04538	1.1
160.01671	0.7
163.04024	2.0
178.02744	2.2
179.03513	5.6
185.06070	2.3
193.05060	90.7
194.05379	4.5
195.04514	1.6
197.06296	0.8
213.05577	12.0
214.05975	1.2
214.45488	0.7
223.03951	1.8
224.04771	1.9
235.06104	35.7
236.06412	1.8
240.04343	1.2
241.05077	37.7
242.05687	4.5
251.07184	0.7
256.07401	20.8
257.08173	5.7
267.06577	2.2
268.07410	2.7
269.08188	5.9
271.06821	1.5
271.09756	25.4
272.07040	1.1
272.10153	1.8
281.08127	1.9
282.08801	0.7
283.09744	4.9
284.10428	6.7
285.11148	1.1
295.06128	2.4
297.11279	8.5
298.08411	2.1
298.11658	1.2
299.09296	1.1
299.12878	1.5
309.07681	0.7
310.08374	3.9
313.10809	78.8
314.11249	5.1
325.10715	5.3
343.11758	2.2
355.11905	11.2
356.12140	1.1
387.10690	2.1
463.17621	3.5
507.16681	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	629.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03443	2.3
58.00602	3.0
59.01380	56.4
60.01659	0.9
61.98824	3.1
65.42779	0.7
69.03477	1.2
69.24347	0.7
71.01383	49.3
71.09776	0.9
71.61012	1.1
72.99299	4.1
73.02948	19.9
75.00887	2.0
83.01399	5.3
84.33914	0.7
85.02955	19.5
87.00867	6.0
87.04526	0.9
89.02447	32.5
95.01392	2.6
96.00907	0.9
97.02974	2.2
99.00874	2.8
99.04533	2.3
101.02446	48.2
103.04017	4.7
110.02470	1.0
113.02444	14.6
115.04021	4.1
116.92850	2.3
119.03516	14.2
125.02431	2.3
127.04015	3.6
128.03487	0.9
130.08730	3.0
131.03490	7.6
138.09261	1.3
139.57713	0.8
139.88707	0.8
143.03516	11.9
145.05061	17.9
149.04625	1.4
151.08846	1.3
159.03084	1.0
161.04576	13.7
163.06126	10.2
169.09866	1.2
170.72185	0.8
179.05608	23.6
184.86272	0.8
186.12463	0.9
200.63550	0.8
205.07170	10.5
221.06641	3.9
244.92293	1.0
247.08255	4.8
265.09296	3.1
267.09872	4.1
307.10294	1.0
320.64673	0.9
325.11298	2.7
367.12439	74.1
368.12680	5.2
397.13486	1.8
398.13406	1.1
407.19305	13.8
408.20093	1.1
427.14594	8.6
569.24487	100.0
570.25018	11.5
578.31091	1.0
612.30255	4.3
630.30841	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	627.2095
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
58.20335	0.5
61.98831	1.3
62.14360	0.5
69.24347	0.5
69.32327	0.5
69.61310	3.8
73.02955	1.0
95.39629	0.5
106.45676	0.5
171.58704	0.5
176.53195	0.5
236.25421	0.6
437.12573	0.9
438.13458	1.7
441.16946	0.6
451.14001	1.2
452.14767	3.3
466.16544	1.0
469.11945	0.5
479.16824	0.8
480.14508	0.8
481.15112	9.2
482.15497	1.6
484.14084	0.8
491.17603	0.7
492.17615	1.1
493.15961	1.0
494.15891	1.0
495.16772	14.8
496.16895	3.3
507.16821	1.2
508.18161	1.4
509.18320	1.5
512.13068	1.1
523.16370	0.5
523.20294	0.6
525.14459	0.7
526.15515	1.1
535.16052	2.0
536.17102	3.3
539.15289	0.8
539.22791	0.8
540.16083	2.8
540.23401	0.8
551.19397	42.2
552.19836	7.9
555.18726	1.7
567.18970	0.6
568.16333	1.7
572.15607	2.8
586.17059	2.4
595.18378	9.9
596.18457	1.7
626.26733	1.0
627.20844	100.0
628.21191	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	626.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	9.3
59.01363	4.0
61.98816	3.1
63.56485	1.2
69.89442	5.5
70.02959	2.5
71.01382	7.1
72.99313	1.7
74.00674	3.7
74.02473	25.3
82.02969	3.3
83.01414	1.6
86.02479	9.6
86.06133	1.9
87.05624	4.1
89.02435	1.3
90.00203	1.7
97.04082	4.1
99.00860	5.3
99.05640	19.6
100.00402	8.4
101.02461	1.9
101.07188	2.5
102.03847	1.3
102.05576	2.8
104.97771	1.5
104.98362	7.3
109.04049	2.2
111.00871	1.8
112.04013	2.0
112.98818	23.5
115.00373	2.3
116.01779	1.3
123.05575	1.6
124.04062	1.2
125.03516	2.5
127.05120	3.6
128.03540	71.9
129.03888	1.4
133.01410	2.6
135.05669	6.6
137.07175	2.5
141.06761	5.7
142.99863	16.7
143.04617	88.1
144.05000	1.8
145.06174	2.7
146.02779	2.4
146.04588	8.3
153.06680	5.0
155.08252	1.5
157.02779	1.4
160.00732	17.6
166.09822	3.7
167.04631	7.7
167.08301	2.4
169.02534	1.8
169.06236	6.5
170.03246	1.3
171.07739	2.2
173.00880	10.9
174.01683	7.5
175.01874	6.1
177.03378	4.1
179.04604	19.3
181.06224	2.8
185.05656	3.3
192.07721	1.6
197.05647	3.4
198.37285	1.2
203.01259	3.9
203.04948	2.3
210.08833	19.1
217.11168	1.4
221.04080	1.1
231.04437	1.4
249.03604	4.4
249.05641	3.1
254.07808	31.3
272.08865	100.0
273.09155	4.1
278.99982	1.7
286.04892	3.9
288.06598	13.1
304.05981	9.2
306.07642	73.4
307.07855	4.5
360.06906	8.1
378.07959	89.7
379.08136	7.1
551.78900	1.3
570.35614	1.4
625.30493	4.5
626.11597	16.6
626.30811	4.7
627.11743	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	626.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74187	1.1
57.03436	1.5
57.77745	1.1
58.02977	8.9
59.01373	2.3
61.98820	6.4
62.69887	1.3
69.59771	9.1
71.01379	4.9
72.00911	1.4
73.02921	1.2
74.00690	2.0
74.02474	25.0
81.04566	1.9
82.02976	2.4
83.01385	1.8
86.02484	11.4
87.05640	4.8
88.04028	1.6
90.00180	1.4
97.04075	3.9
98.23508	1.2
99.00851	4.4
99.05649	22.1
100.00407	3.6
101.07189	3.8
102.05584	2.1
104.98383	7.5
105.99655	1.4
109.04070	2.3
110.02480	1.4
111.00850	2.2
112.04066	2.8
112.98819	19.1
116.01723	1.6
125.03573	2.3
127.05125	3.6
128.03546	77.7
129.03909	1.5
135.05638	4.3
137.07202	2.0
141.06670	6.0
142.99861	15.8
143.04626	93.0
145.06166	4.4
146.02805	2.9
146.04564	7.6
153.06694	5.2
155.08282	2.0
160.00743	15.9
166.09846	4.9
167.04601	3.5
167.08269	3.5
169.02660	1.3
169.06187	4.6
171.07745	1.8
173.00894	10.2
174.01720	7.0
175.01776	3.7
177.03419	5.3
179.04626	20.1
181.06226	4.5
185.05643	2.9
192.07703	2.5
197.05649	3.8
203.01265	2.2
210.08835	18.3
215.04881	1.9
221.22749	1.4
228.09908	2.0
231.04492	2.6
242.07870	1.7
247.02473	1.3
249.03459	2.2
249.05658	3.3
254.07841	32.3
255.08066	1.7
272.08881	100.0
273.09134	5.0
279.00049	1.8
288.06577	12.8
300.02692	1.7
301.03134	2.3
304.06076	8.3
306.07639	83.3
307.07919	4.5
360.06879	4.0
378.08005	74.7
379.08127	5.0
443.75861	1.3
608.10156	1.4
626.11627	20.4
627.11169	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	626.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60448	1.3
58.02970	12.1
59.01379	3.0
61.66552	1.1
61.98831	5.6
71.01379	5.5
72.00919	1.3
74.00680	1.2
74.02477	26.2
82.02981	2.4
83.01389	2.1
85.02946	1.1
86.02486	12.5
86.06127	1.8
86.99125	1.9
87.00878	1.5
87.05650	4.1
90.00191	1.7
97.04079	3.3
99.00892	4.7
99.05644	22.1
100.00406	3.6
101.02432	1.4
101.07204	3.2
102.05605	3.3
104.98397	7.2
107.06112	1.2
109.04093	2.2
111.00882	1.4
111.05629	2.2
112.04008	1.7
112.98814	16.7
123.05663	2.1
124.04110	1.4
124.75335	1.3
124.98769	3.6
125.03603	2.0
125.07211	1.4
127.05166	2.8
128.03542	75.1
129.03874	1.9
131.04601	1.1
133.66830	1.0
135.05623	3.9
137.07265	2.4
141.06725	4.7
142.99870	18.6
143.04623	93.7
144.04919	2.0
145.06186	4.2
146.04604	8.5
149.07230	1.5
153.06674	5.4
160.00751	19.7
166.09877	5.4
167.04578	7.9
167.08292	3.7
169.06087	1.4
171.04056	1.2
171.07735	3.1
173.00916	8.6
174.01730	6.6
175.01903	2.4
177.03323	5.5
179.04610	24.1
180.07654	1.3
181.06145	3.3
184.10934	1.7
185.05681	5.1
192.07751	2.9
197.05667	3.5
199.07214	1.4
203.01353	2.5
210.06866	1.2
210.08853	21.4
213.05859	1.2
215.05048	2.0
229.70776	1.2
231.04492	2.4
247.02817	1.6
249.03551	3.5
249.05530	3.6
254.07822	36.9
255.02919	1.5
255.08134	1.9
271.02640	1.5
272.08884	100.0
273.09131	4.4
278.99927	1.8
286.04956	1.8
288.06583	12.5
300.02835	2.0
301.03079	2.7
302.03796	1.9
304.05997	4.6
306.07651	80.8
307.07800	2.6
360.06903	7.0
378.07990	78.3
379.08447	5.3
608.10010	1.7
626.11658	31.6
627.12042	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	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
58.00598	1.4
58.96415	1.0
59.01377	17.6
61.98518	1.8
61.98833	30.9
66.13705	0.9
66.61926	0.9
69.03439	1.0
71.01377	14.8
72.60627	0.9
73.02950	4.4
78.95936	1.1
80.96501	1.7
83.01403	2.0
85.02951	3.0
87.00884	5.3
88.98811	2.2
89.02447	11.2
95.62010	1.1
97.02957	1.5
101.02453	10.7
111.08164	1.1
113.02479	5.0
119.03507	3.3
125.02451	3.8
161.04509	2.8
165.11662	1.2
165.12881	8.5
173.00957	1.1
183.13895	71.2
184.14229	3.5
209.11836	1.1
227.12874	10.0
235.08269	1.7
255.02939	1.8
271.02435	4.7
300.02689	7.1
301.03381	3.5
397.13464	6.1
415.14462	3.3
510.63312	1.0
625.14990	4.2
625.27106	100.0
626.27301	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	626.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	12.1
59.01377	3.5
61.98826	5.4
63.55529	1.2
65.56336	1.2
68.37809	1.4
68.99803	1.5
69.27527	9.3
69.27946	3.9
71.01387	7.2
72.00903	2.0
74.00704	3.6
74.02474	26.2
82.02979	3.3
83.01369	1.5
85.02987	1.7
86.02474	11.4
86.99123	1.7
87.05630	4.7
88.04047	1.5
89.02465	2.1
90.00188	1.9
97.04077	3.4
99.00864	4.6
99.05636	22.1
100.00381	7.9
101.07204	4.0
102.05603	4.8
104.98376	6.9
109.02923	1.6
109.04057	3.8
111.00871	2.5
111.05682	2.5
112.03999	1.4
112.98810	16.5
116.01763	1.9
120.01266	2.2
123.05669	3.5
124.98785	2.4
125.03587	2.6
127.05133	4.5
128.03546	79.5
128.55177	1.3
129.03918	1.6
135.05655	4.9
137.07214	2.6
140.52054	1.4
141.06721	5.8
142.99870	22.6
143.04626	90.8
144.04965	2.1
145.06142	4.3
146.02818	1.9
146.04614	10.6
153.06653	6.9
160.00742	19.0
166.09821	2.1
167.04619	7.6
167.08235	2.7
169.06229	7.0
170.03185	1.9
171.07689	1.6
173.00912	12.7
174.01685	6.6
175.01807	7.5
177.03410	3.9
179.04613	20.9
181.06142	3.5
185.05666	4.3
192.01645	1.6
192.07813	1.6
197.05661	3.1
203.01302	2.6
203.05005	1.6
210.08847	18.1
215.04909	3.2
231.04417	1.6
242.07994	1.5
247.02890	1.4
249.03647	5.4
249.05788	1.9
254.07835	38.3
271.02527	2.9
272.08884	100.0
273.09164	5.4
286.05032	4.3
288.06583	11.5
300.02661	5.1
301.03275	4.8
302.03818	1.8
304.06107	8.8
306.07642	74.4
307.07800	5.3
360.07050	6.9
363.83353	1.2
378.07983	68.6
379.08243	6.8
385.46835	1.6
608.10278	3.6
625.30957	3.0
626.11603	29.9
627.12085	2.8
628.56836	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	625.2668
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
61.98828	1.4
69.05685	1.0
70.04866	3.7
86.28038	0.8
98.20503	1.2
102.01335	0.9
121.83013	1.0
134.06079	1.4
213.10344	9.0
299.13971	1.4
342.12408	1.7
398.15240	1.3
420.17068	1.0
432.12372	1.1
433.12976	3.8
434.13498	3.0
439.21158	1.3
447.14481	3.9
448.15335	10.5
449.15994	6.0
463.17706	19.5
464.18185	3.3
465.19415	1.1
473.16174	1.7
477.19318	3.5
478.20114	3.2
479.20953	17.8
480.20761	1.7
491.17188	30.9
492.17352	5.0
505.18573	4.3
506.19418	9.6
507.20282	4.2
519.20551	1.7
520.21008	2.2
523.19775	2.7
538.22223	35.1
539.22943	10.0
593.23999	8.1
625.26685	100.0
626.27008	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	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42471	0.7
55.01863	0.7
55.30350	0.7
57.03447	4.9
58.00588	1.8
59.01382	25.9
61.98839	3.6
65.00336	1.1
69.75454	4.5
71.01387	26.8
71.01762	1.6
73.02956	6.1
74.02473	1.3
75.00896	1.4
81.03453	0.8
83.01400	3.2
85.02950	8.7
86.82159	0.7
87.00875	3.6
89.02451	25.5
89.02998	1.6
95.01411	3.1
96.96053	0.7
97.02979	1.8
97.06593	0.8
98.19958	1.3
99.00925	1.4
101.02451	21.1
101.03079	1.4
107.01429	2.4
109.02951	1.7
111.00861	0.9
113.02461	12.4
113.06113	1.9
119.03512	12.9
119.24570	0.7
121.02970	1.4
125.02464	6.2
127.08823	0.8
128.03542	2.6
131.03520	2.5
131.99687	0.7
137.09737	2.5
139.07675	1.8
143.03484	4.1
143.04657	2.4
149.04486	1.2
151.00401	7.3
153.09232	2.7
159.02959	0.7
161.04561	10.9
162.05006	0.7
163.00430	0.9
163.04004	0.9
163.11281	1.4
165.09212	3.7
171.04504	1.2
171.07785	0.9
175.00511	1.6
178.99887	2.5
179.05630	23.0
187.04037	1.0
187.11371	1.9
199.04015	2.3
203.03450	1.5
205.10585	1.0
205.12291	4.5
208.10950	0.8
212.52750	0.9
215.03551	1.3
221.06668	6.2
223.13440	7.1
226.02681	0.9
227.03511	6.5
228.03961	1.1
243.03011	5.2
245.06631	0.9
254.02161	1.2
255.03036	6.8
256.03482	2.7
263.07837	1.5
271.02478	55.3
272.02881	4.7
272.08969	1.6
284.03482	2.2
285.03748	2.1
286.03888	2.2
299.01990	100.0
300.02618	20.1
301.03537	47.8
302.03903	2.6
306.07568	1.0
323.09860	6.6
341.11230	0.8
342.07846	2.0
343.04477	1.7
403.19788	1.6
439.88385	0.8
448.09662	1.4
449.09839	7.4
462.08038	25.6
463.08795	37.7
464.09088	3.3
500.00085	0.9
505.10019	1.1
547.23926	1.4
565.25024	43.0
566.25275	4.8
596.30298	0.8
625.14117	79.9
626.14514	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76955	0.9
65.00317	1.1
70.74093	1.9
70.74427	1.1
79.68148	0.9
83.01353	1.1
107.01361	4.2
108.02187	2.1
109.02975	1.5
112.95969	0.9
121.02949	1.9
133.96896	0.9
135.77402	1.1
148.01633	1.3
148.69856	1.0
151.00378	12.0
163.00296	2.3
164.01180	1.2
178.99870	7.6
211.03963	1.9
215.03392	1.0
226.02681	1.4
227.03485	3.2
229.05058	1.6
243.02980	10.1
245.04474	1.3
254.02144	1.2
255.02979	24.1
264.20450	1.0
271.02481	52.7
272.02911	5.4
273.03903	1.8
273.91254	0.9
283.02359	1.2
299.01947	1.7
300.02753	100.0
301.03503	46.0
302.03952	3.0
466.80450	1.1
625.14136	89.7
626.14581	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32631	0.6
61.98822	1.6
63.02415	0.7
65.00330	1.5
68.20197	0.6
69.72752	0.7
69.90442	3.4
81.97288	0.6
83.01373	0.9
98.20581	0.8
107.01384	2.9
108.02197	1.0
109.02948	1.6
119.36595	0.6
121.02970	1.6
125.02439	1.0
133.02966	1.0
145.02963	0.7
151.00374	11.5
163.00307	0.8
164.01112	0.9
171.04523	0.9
175.00386	1.3
175.04031	0.8
178.99857	3.0
183.04622	0.7
187.04138	0.8
189.05574	0.7
199.04005	4.0
215.03482	1.8
226.02875	1.5
227.03467	5.5
228.03780	1.4
243.02983	6.2
245.04491	0.7
254.02191	1.0
255.02972	6.9
256.03400	1.6
257.03445	0.7
266.54410	0.8
271.02472	63.2
272.02869	4.7
273.04086	0.7
284.03189	1.8
285.03745	2.3
286.03839	1.9
299.01968	100.0
300.02649	29.2
301.03528	54.2
302.03897	4.2
313.03619	1.2
343.04510	1.8
393.71619	0.7
447.09335	1.4
448.09515	2.5
449.09821	5.6
462.01611	1.5
462.08044	23.4
463.08774	40.3
464.09351	3.9
505.09674	1.1
625.14081	86.9
626.14301	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	625.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.5
57.03440	6.1
58.00607	3.3
58.13086	1.4
59.01376	60.7
60.04620	1.6
61.98829	50.8
69.03468	2.8
71.01382	100.0
71.62386	1.3
72.99318	5.6
73.02943	16.8
75.00864	2.3
81.03481	2.1
83.01391	13.3
85.02950	49.9
87.00874	19.5
88.98772	1.4
89.02442	46.5
89.02991	2.7
93.03461	2.8
93.65226	1.6
95.01378	6.0
97.02940	14.1
99.00883	23.4
99.04529	2.1
101.02441	73.2
109.02960	3.2
111.00876	9.1
113.02449	52.9
113.03239	2.6
114.02811	1.5
115.04012	2.0
119.03501	22.7
121.02942	2.8
125.02448	19.7
126.54893	1.4
127.04064	1.6
129.01933	2.3
130.11623	1.6
131.03528	11.1
137.02429	2.1
137.06108	15.0
141.01929	3.7
143.03505	26.1
145.04977	2.6
149.04477	1.9
151.00389	3.6
155.03435	1.9
159.02959	4.8
161.04553	54.3
162.04890	2.2
167.03514	2.9
179.05600	9.0
181.05051	13.9
187.08768	31.3
203.05589	4.3
205.03421	3.1
212.05902	2.6
213.06786	3.3
221.06641	32.7
227.12854	3.0
231.07739	2.5
235.08231	1.9
239.11934	2.4
241.09816	10.9
243.03053	1.9
244.38065	1.5
245.06660	32.2
255.03021	6.8
257.05640	6.4
257.12976	5.9
263.07724	26.3
271.02435	11.8
285.08798	3.5
287.07669	2.7
300.02710	20.4
301.03525	12.2
301.11926	31.8
301.64450	1.6
302.12036	2.3
305.08841	1.9
323.09796	26.8
324.10272	1.8
423.44675	1.4
463.17206	59.6
463.23969	2.8
464.17413	4.7
625.13898	15.4
625.23315	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	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45938	0.7
51.42370	0.5
55.47434	0.5
59.01410	1.3
63.02427	0.8
65.00372	2.1
69.27853	4.4
69.28273	1.7
74.41860	0.7
77.28931	0.7
78.50415	0.6
78.96827	0.6
83.01448	1.5
84.63104	0.6
87.00928	2.3
89.02484	0.9
89.94466	0.6
90.11385	0.6
93.03479	0.8
98.19783	1.3
101.02506	0.8
106.87480	0.6
107.01395	5.1
108.02239	0.8
121.02954	3.7
145.22551	0.6
151.00369	27.2
152.00897	0.7
163.00328	1.4
178.99863	10.6
183.04575	1.4
199.04053	2.1
211.04037	1.1
227.03520	1.7
229.05052	1.2
243.02946	7.2
245.04639	1.0
255.02985	14.3
257.04803	0.8
257.13007	0.6
271.02463	25.7
272.02997	2.2
273.04156	1.4
283.02689	0.8
299.01974	14.1
300.02737	54.4
301.03503	71.8
302.03995	3.7
400.17422	0.6
462.07944	2.8
463.08820	100.0
464.09164	12.0
519.20508	0.8
565.24286	0.7
596.48022	0.7
625.14001	20.8
626.14673	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	623.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
57.03447	1.5
58.00597	2.4
59.01381	46.6
61.98828	9.7
69.40026	4.6
69.40457	7.4
71.00990	2.5
71.01386	52.4
72.99301	4.1
73.01186	1.4
73.02955	8.5
75.98149	1.2
83.01391	3.7
85.02959	17.0
87.00860	6.0
89.02446	43.1
90.30460	1.2
91.66090	1.1
91.66681	1.3
95.01389	5.1
97.02949	3.7
99.00895	2.8
101.02445	37.2
108.40447	1.7
111.00858	2.1
113.02454	26.4
116.92891	1.3
119.03524	16.2
119.05014	11.5
125.02414	3.8
131.03499	6.0
137.06076	6.9
141.01955	1.5
143.03488	8.0
148.18875	1.4
149.04590	1.6
151.00443	1.6
161.04588	13.5
179.05589	12.0
191.61359	1.3
221.06615	9.7
227.03426	4.8
229.92554	1.5
255.03053	3.9
263.07727	5.3
278.48398	1.4
284.03305	6.8
285.04074	2.2
299.11444	7.3
307.91599	1.2
383.11707	4.7
443.15695	10.6
447.09372	12.3
451.68954	1.2
461.16623	44.6
462.17078	3.5
623.21985	100.0
624.22272	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73660	0.5
56.06958	0.5
65.00328	0.8
83.01380	0.5
91.63335	0.5
93.42963	0.6
107.01408	1.3
108.02189	1.7
120.79778	0.5
121.02957	0.9
147.91298	0.5
148.01689	0.8
151.00374	6.1
155.36266	0.5
163.00414	1.2
178.99854	5.6
194.62660	0.5
199.04024	0.8
211.03749	0.5
215.03413	0.6
216.04131	0.5
226.02635	1.3
227.03453	2.7
229.77161	0.5
243.02988	9.4
254.02150	1.7
255.02974	25.1
256.03329	1.3
269.31024	0.5
271.02460	53.1
272.02960	4.3
273.03946	0.8
299.02048	3.6
300.02740	100.0
301.03366	15.4
302.03976	0.8
463.08923	2.5
540.43884	0.6
625.14044	61.6
626.14502	7.8
644.04510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1402
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
52.58730	2.3
58.02984	2.5
59.01381	14.4
61.98522	5.2
61.98832	100.0
62.96585	3.4
63.04446	2.4
64.95235	2.5
71.01385	4.8
71.21627	4.8
73.01165	2.9
74.02454	5.3
85.02965	4.5
86.02464	3.3
87.00892	2.5
89.02451	2.3
101.02441	4.9
104.98396	6.1
107.60435	2.4
108.00443	2.5
110.27685	2.6
115.00432	2.4
117.03485	17.6
117.46545	2.1
119.05015	21.0
128.03572	12.3
131.04022	2.1
143.04596	15.2
145.02953	58.1
146.04445	2.8
151.00368	7.8
163.04004	11.0
171.29459	2.9
174.01682	4.8
199.03996	8.8
215.03442	3.7
227.03453	9.6
237.28610	2.6
242.02196	7.7
243.02977	33.5
254.07747	3.5
255.02921	19.8
257.04489	3.8
269.14029	5.1
270.01831	6.0
271.02460	47.0
272.03018	4.9
272.08829	6.1
284.03232	4.4
285.04019	9.6
286.04642	4.9
299.01999	57.2
300.02750	33.4
306.07816	16.7
307.08145	21.1
314.04324	54.9
315.05093	98.8
316.05420	5.3
371.17020	3.1
378.08081	3.4
379.08099	3.7
459.09262	27.9
461.21664	2.8
477.10327	6.7
623.14056	85.7
623.26349	8.2
624.14038	14.8
651.70593	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	623.1405
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
57.03177	2.1
57.03451	27.1
59.01086	2.4
59.01379	28.5
59.65104	1.4
59.83863	1.5
61.84737	1.7
61.98834	19.0
69.54032	10.5
71.01006	1.5
71.01379	6.6
73.01167	1.7
78.46049	1.4
79.95734	4.8
80.96507	5.7
83.01394	1.7
85.02976	1.8
87.00863	2.2
87.04516	6.4
88.98811	2.9
89.02473	1.7
96.95996	3.7
99.04529	31.5
99.05569	1.6
101.02446	5.7
103.04020	23.5
104.98363	3.3
105.80565	1.3
107.01397	2.9
113.02493	1.5
117.03512	2.7
119.04991	1.9
125.02428	17.4
128.03522	5.6
132.02187	6.9
133.02975	3.2
134.03728	15.6
135.00864	1.5
139.60017	1.4
141.23056	1.2
142.99872	1.9
143.03583	1.9
143.04584	7.3
144.04941	1.3
145.02946	5.2
149.08986	1.3
151.00400	6.3
160.01686	18.5
161.02443	2.8
163.00435	2.2
174.01712	3.4
175.02499	3.3
175.03992	19.9
178.02757	2.4
178.87259	1.4
179.03477	1.9
182.85843	1.4
183.04515	1.5
187.03966	2.8
193.05067	8.0
210.29691	1.8
211.03990	4.0
213.05531	1.4
227.03491	56.1
228.03912	3.3
229.05106	8.4
243.02954	3.6
254.07877	1.9
255.02979	100.0
256.03638	13.2
257.04556	5.5
271.02548	3.0
272.08905	2.4
283.02475	2.4
284.03250	99.8
285.04016	93.4
286.04639	3.7
299.02225	3.4
299.05685	4.3
300.02753	4.3
306.07611	17.9
307.07983	9.0
314.04324	5.9
315.05072	8.2
323.07556	3.3
337.09293	5.6
429.08282	18.5
430.08395	2.2
447.09241	7.0
459.09485	3.7
623.14160	95.1
623.23950	8.9
624.14447	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	623.1257
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
50.34325	0.3
50.50807	0.3
52.28262	0.3
57.03431	0.7
59.01386	2.5
63.02400	0.4
66.86999	0.3
69.72890	1.7
70.49072	0.3
71.01376	2.4
72.99297	0.7
73.02960	0.3
73.21249	0.3
75.00874	1.1
83.01399	0.5
85.02953	4.8
87.00893	0.7
89.02442	0.5
90.43663	0.3
95.01383	1.4
99.00893	1.4
103.00365	0.7
107.01359	0.5
108.64265	0.3
113.02458	8.4
115.00383	0.6
117.01909	0.5
125.02422	0.5
151.00372	1.6
165.01955	0.4
169.01265	0.3
174.03235	0.6
175.02473	2.4
175.03943	0.5
178.99841	0.7
211.04005	0.8
227.03502	35.7
228.03902	2.5
241.04987	0.5
255.02982	46.2
256.03595	6.9
257.04324	0.5
269.04605	0.5
283.05975	0.5
284.03259	47.1
285.03955	13.5
286.04480	0.6
298.04495	0.4
327.05197	1.2
447.09326	100.0
448.09683	10.3
461.07498	0.3
489.10605	0.6
520.54608	0.3
531.11273	0.3
623.12622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1255
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
55.01866	0.6
57.03447	1.6
59.01380	4.7
61.98825	0.4
63.02390	2.9
65.00323	1.7
67.01865	0.5
68.99792	0.4
71.01383	6.7
71.60725	0.4
72.99303	1.2
73.02950	0.8
73.44002	0.3
75.00886	4.1
83.01393	3.6
83.09345	0.4
83.20399	0.4
85.02956	11.9
87.00890	2.2
89.02434	1.8
93.03429	0.5
95.01395	4.0
99.00887	4.5
99.38464	0.5
101.02440	1.4
103.00376	1.6
107.01395	6.8
113.02451	23.6
114.02765	0.5
115.00371	1.5
116.92872	1.3
117.01933	1.7
118.92657	0.5
119.03502	0.6
129.01945	0.6
132.02197	2.5
135.01009	0.4
149.83455	0.4
149.99538	1.4
150.99159	0.8
151.00374	15.4
163.00381	1.0
164.01178	4.0
169.01427	3.0
175.02480	8.6
179.05554	0.5
195.70247	0.4
199.03882	0.6
211.04146	0.4
223.06894	0.4
227.03517	12.4
228.04100	1.2
229.04944	0.5
241.01505	0.5
255.02986	13.4
256.03687	2.4
257.04599	0.8
283.02567	0.9
284.03262	76.2
285.03979	28.3
286.04370	1.9
327.04965	0.8
340.11899	1.1
447.09317	100.0
448.09671	10.3
461.07205	1.3
461.16522	1.2
483.96951	0.5
489.10281	0.8
623.12518	10.2
623.22003	2.2
624.12854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
57.03450	39.2
58.00584	3.3
59.01379	100.0
60.01716	1.7
60.99308	1.9
61.98830	20.1
68.99806	1.3
69.03466	2.6
70.37822	1.4
70.38199	1.9
71.01382	69.6
72.01723	3.4
72.99306	5.4
73.02951	16.3
74.03284	1.0
75.00854	1.5
76.91663	0.8
81.03454	2.0
83.01385	11.1
85.02955	28.4
86.00091	1.1
86.03273	1.4
87.00880	13.8
88.98808	16.3
89.02445	33.7
90.02780	1.2
95.01380	6.9
97.02953	3.7
99.00894	6.5
99.04521	41.8
100.04889	1.4
101.02444	56.7
102.02760	2.9
111.00863	2.0
113.02448	28.4
114.02792	1.6
116.92848	0.9
119.03509	11.5
124.58922	0.8
125.02449	23.9
128.03560	0.9
129.01942	2.1
143.03500	7.1
153.05440	1.2
159.02983	2.5
160.01486	0.9
161.04552	10.4
175.03976	0.9
179.05586	4.9
183.02834	1.1
213.19171	0.8
221.06683	1.2
225.03769	1.5
229.18170	0.9
275.07651	1.7
318.95306	1.0
360.93668	0.9
373.22314	4.8
378.21487	1.9
391.23578	1.1
415.23309	2.0
433.24539	4.4
458.73273	1.4
459.24173	2.1
536.09460	0.9
539.75958	4.6
540.26892	6.0
540.76984	4.5
595.38348	4.4
612.79181	1.2
620.78839	1.3
621.28986	6.3
621.79584	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	621.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.9
70.63596	1.7
101.66962	0.5
116.92828	0.9
152.99544	0.5
155.45239	0.6
190.05019	0.6
224.78241	0.6
408.75732	0.6
431.14893	0.8
445.16684	2.0
446.17432	2.3
459.22156	3.8
460.18918	7.8
461.19778	27.3
462.20102	4.2
474.20963	1.2
475.21353	4.7
476.21640	0.7
513.77942	0.5
519.20349	12.6
520.20569	2.4
533.21753	1.2
538.42871	0.6
621.27161	100.0
622.27399	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	621.2719
Annotation	5-Cinnamoyltaxicin I triacetate
Peak:m/z	Relative Intensity
61.98829	0.6
67.61978	0.3
68.25066	0.3
70.63699	0.4
70.64047	1.2
108.08239	0.4
110.58435	0.4
147.13239	0.3
191.87257	0.3
320.19440	0.3
417.17191	0.5
431.15173	0.4
445.16644	2.6
446.17343	2.9
447.18036	0.5
459.22171	3.2
460.18958	9.9
461.19843	25.6
462.20084	3.2
474.20474	1.0
475.21429	3.9
476.21909	0.5
519.20410	14.0
520.20789	2.9
533.21985	1.3
534.22479	0.6
606.25122	0.5
621.27185	100.0
622.27515	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	620.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18563	0.2
59.01375	0.8
60.35999	0.2
61.98831	100.0
62.98506	0.4
69.34478	1.7
69.34901	0.6
71.01398	0.7
73.02955	0.3
76.04247	0.2
81.03810	0.2
81.64523	0.2
85.02963	0.5
89.02448	0.5
92.77019	0.2
96.73986	0.2
98.19814	0.5
101.02456	0.5
113.02471	0.2
153.01990	0.4
161.04518	0.2
161.93816	0.2
179.05690	0.2
187.74124	0.2
196.11852	0.2
227.39429	0.2
247.23305	0.3
272.08939	0.3
273.68433	0.2
284.03235	0.3
330.60336	0.2
481.86581	0.2
513.52606	0.2
560.25671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18563	0.2
59.01375	0.8
60.35999	0.2
61.98831	100.0
62.98506	0.4
69.34478	1.7
69.34901	0.6
71.01398	0.7
73.02955	0.3
76.04247	0.2
81.03810	0.2
81.64523	0.2
85.02963	0.5
89.02448	0.5
92.77019	0.2
96.73986	0.2
98.19814	0.5
101.02456	0.5
113.02471	0.2
153.01990	0.4
161.04518	0.2
161.93816	0.2
179.05690	0.2
187.74124	0.2
196.11852	0.2
227.39429	0.2
247.23305	0.3
272.08939	0.3
273.68433	0.2
284.03235	0.3
330.60336	0.2
481.86581	0.2
513.52606	0.2
560.25671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	15.6
59.01384	48.1
61.98834	100.0
69.65267	13.5
70.09510	2.4
71.01386	26.8
73.02949	5.8
83.01398	4.1
85.02966	16.6
87.00877	10.8
88.98786	2.6
89.02460	12.9
95.01402	3.1
97.02929	2.2
98.20696	3.8
99.00900	3.3
99.04546	10.9
101.02441	20.3
104.07783	2.1
112.98785	2.8
113.02444	11.7
119.03462	2.8
120.89718	2.3
125.02449	11.2
137.06393	2.4
139.00450	2.5
143.03516	7.2
149.56731	2.2
161.04541	8.5
165.05501	2.3
174.01602	3.0
177.03380	2.3
179.05623	2.3
209.15485	18.6
255.03033	10.2
269.30716	2.4
283.02515	14.4
430.08728	6.9
431.22314	2.7
496.13293	2.7
515.25000	6.9
533.25995	11.7
619.16498	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	619.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	26.5
58.03786	4.6
59.01383	100.0
61.98832	85.8
63.10108	3.5
64.41206	3.6
71.01392	55.3
71.38723	4.5
71.71751	3.5
72.99322	3.6
73.02950	27.2
83.01391	11.6
85.02958	28.2
87.00890	45.4
89.02441	26.6
95.01405	5.3
97.02979	10.1
99.00903	6.0
99.04526	27.3
101.02454	60.1
113.02411	19.9
115.03957	4.6
119.03502	13.4
125.02457	25.3
143.03526	23.9
161.04576	29.7
173.00887	4.4
174.01720	9.7
177.50337	3.8
179.05586	16.1
203.05649	5.3
221.06685	9.8
235.08212	9.1
263.07672	8.7
320.12341	3.7
468.65564	3.9
533.26117	12.4
575.26495	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	619.9877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85557	0.1
57.03450	0.8
59.01378	1.7
61.98831	100.0
62.98540	0.2
67.00244	0.1
69.87852	0.5
71.01379	0.9
72.99335	0.1
73.02953	0.3
76.09389	0.1
83.01388	0.2
83.04948	0.1
85.02971	0.3
87.00879	0.1
88.98805	0.2
89.02457	0.5
89.08910	0.1
91.16244	0.1
98.19887	0.2
99.04527	1.0
101.02467	0.6
112.98852	0.1
113.02422	0.2
119.03505	0.2
125.02467	0.5
129.16933	0.1
135.37425	0.1
157.85672	0.1
161.04593	0.1
173.00894	0.2
174.01678	0.1
202.23209	0.1
247.32700	0.1
307.69440	0.1
310.97415	0.2
380.64529	0.1
532.86542	0.1
539.26581	0.1
620.23248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84445	1.7
55.01881	2.1
57.03444	4.5
58.00588	2.6
59.01382	100.0
61.98840	7.7
71.01383	51.5
71.60271	2.3
72.99301	3.4
73.02947	28.4
79.80686	1.5
83.01393	10.3
85.02945	10.3
87.00878	3.7
88.98782	1.5
89.02445	40.1
95.01400	3.3
96.96017	2.5
97.02972	2.0
98.78884	1.7
99.00885	2.0
99.04510	6.5
101.02446	45.5
104.49589	1.4
113.02460	32.4
119.03535	14.7
125.02452	4.6
131.03485	5.7
143.03503	5.7
149.04553	6.0
161.04546	15.0
176.16277	1.5
179.05583	8.1
193.04912	1.8
203.05525	2.1
226.31201	1.7
260.15134	1.6
356.37613	1.5
619.22955	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69559	1.9
53.89832	1.8
55.19303	1.8
57.03451	3.1
58.00578	2.3
59.01382	100.0
60.37002	1.8
61.98835	8.9
65.09438	1.6
70.02987	6.1
71.01386	64.9
72.99309	4.6
73.02951	20.9
75.00868	1.9
78.31982	1.8
83.00375	1.8
83.01376	5.3
85.02969	11.5
87.00887	5.8
89.02448	67.7
95.01392	6.4
96.95990	2.5
99.04508	3.9
101.02451	36.6
113.02449	37.1
116.92924	2.0
119.03509	23.2
125.02470	3.0
125.83810	2.1
128.03543	2.3
131.03487	6.8
143.03511	6.2
143.04590	2.2
145.02997	3.0
149.04543	8.6
161.04533	14.0
179.05649	12.8
193.04996	2.0
201.92978	1.8
221.06621	2.1
226.29674	1.8
228.31821	1.8
255.02924	4.1
284.03085	3.7
316.87790	2.2
324.35382	1.8
462.40164	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.9
58.74178	1.9
59.01379	100.0
61.98833	39.9
69.68609	11.1
71.01384	48.1
72.99278	3.9
73.02949	18.3
80.91689	7.5
83.01375	8.5
85.02934	15.3
87.00870	6.0
89.02450	41.8
95.01373	2.8
97.02955	2.6
98.20840	2.6
101.02448	33.6
113.02455	35.8
113.65624	2.3
119.03513	16.0
131.03497	6.4
134.03673	2.7
143.03506	5.1
149.04619	2.6
161.04524	13.4
165.05464	2.0
172.61884	2.5
178.34767	2.2
179.05611	17.5
201.14340	2.3
265.41528	2.3
515.24976	14.5
533.25964	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	619.256
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
71.41557	1.8
89.53075	1.0
99.39931	1.0
108.78452	1.0
155.58769	1.0
271.68210	0.9
373.88086	1.1
401.14240	2.3
415.15536	4.0
416.16476	11.4
430.18033	2.3
459.18231	97.9
460.18631	14.8
473.19852	16.7
474.20117	5.6
485.16049	1.5
501.19357	2.6
503.17361	2.3
518.19543	43.5
519.19873	6.1
532.21051	10.2
533.21899	100.0
534.22174	16.9
587.22925	7.0
619.25562	75.1
620.25629	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	619.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	80.0
59.01380	100.0
61.98829	20.4
71.01379	24.1
71.61007	2.1
71.61384	3.0
72.99311	3.2
73.02952	5.7
73.13892	2.1
75.00856	2.6
81.03432	2.7
83.01373	7.6
85.02950	13.3
85.03374	2.0
87.00887	6.0
88.98782	3.2
89.02448	13.9
95.01380	3.2
96.95988	2.4
99.00879	3.1
99.04516	88.7
101.02439	33.4
113.02434	10.3
116.92863	6.9
119.03506	6.4
121.02952	3.1
125.01607	3.8
125.02442	43.3
129.78365	2.1
130.08723	6.3
137.09784	3.0
143.03458	7.7
161.04526	5.9
169.48869	2.5
170.09253	2.4
174.01688	3.0
179.05664	2.7
245.01208	2.8
371.20450	3.0
430.41217	2.2
431.22635	7.1
533.26166	3.7
539.25653	4.8
556.87854	3.0
606.37213	2.4
618.84094	9.1
619.33496	9.2
619.82996	2.6
620.28802	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	618.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14331	2.8
51.22668	2.4
56.56167	2.7
58.02961	5.2
59.01379	5.0
61.98838	19.7
64.93539	2.9
70.37718	9.8
71.01383	3.5
73.01158	18.9
74.02480	11.9
86.02483	9.9
88.68066	2.4
96.96037	2.9
99.05654	11.0
104.98378	6.0
109.04047	3.4
127.05132	4.4
128.03545	45.4
143.03526	3.7
143.04633	51.6
145.06163	8.6
146.04581	5.9
153.06677	4.4
160.00685	8.9
167.04623	4.3
171.07799	7.7
177.03400	6.0
179.04636	11.1
185.05727	5.5
197.05663	3.6
199.07303	4.5
210.08836	9.5
254.07756	17.5
272.08853	54.4
281.48123	3.0
284.30698	2.6
288.06549	10.3
304.06131	13.6
305.08786	4.8
306.07639	100.0
307.07693	5.7
333.12436	2.7
378.07983	16.4
379.10959	3.2
396.89304	2.8
420.11963	3.0
452.09616	4.8
479.24411	3.0
526.12103	14.0
549.06207	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	618.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98833	100.0
67.21681	0.2
71.01397	0.3
85.02963	0.4
89.02470	0.4
98.19866	0.6
99.00943	0.2
101.02468	0.3
105.80328	0.2
110.02473	0.2
113.02467	0.5
128.03537	0.2
170.08972	0.2
175.02216	0.2
193.05014	0.3
215.10730	0.2
227.03487	0.2
239.33450	0.2
558.23981	0.4
619.27368	0.3
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
61.98839	3.7
71.31637	4.0
75.87805	2.4
78.95892	5.5
87.16257	2.3
89.34075	1.9
95.71555	2.2
98.19987	2.4
113.04903	2.2
152.99545	4.8
178.79362	2.2
198.60611	2.1
199.17462	2.1
227.09445	2.9
402.54907	2.3
411.81577	2.5
415.15509	2.9
416.16443	15.4
430.17792	3.4
459.18256	86.1
459.24698	5.0
460.18542	10.4
473.19897	15.1
474.20465	6.4
503.17331	3.5
518.19592	45.0
519.19623	6.1
532.21228	9.2
533.21899	100.0
534.22144	10.2
587.22949	9.4
619.25586	70.9
620.25818	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	617.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82950	1.0
57.03448	58.4
59.01381	100.0
61.46630	1.1
62.64279	1.0
69.42147	7.4
69.42572	2.4
71.01376	7.8
73.02954	2.9
81.03461	3.4
83.01342	1.4
85.02940	4.1
89.02440	3.8
97.02942	1.1
99.04521	72.6
100.04858	2.5
101.02438	15.6
113.02427	5.9
119.03523	1.5
125.02449	40.2
143.03482	3.3
174.26065	1.0
207.13913	1.2
225.14967	4.1
261.83453	1.1
274.35684	1.0
301.00000	1.1
369.19171	27.0
370.19482	2.5
387.20276	14.3
411.20346	8.6
412.20712	1.3
429.21286	32.8
430.21674	6.5
573.25293	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	617.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63094	1.1
57.03454	54.5
57.77773	1.3
59.01385	100.0
61.98839	1.2
65.02416	1.1
71.01395	11.7
71.17022	2.0
71.17344	1.6
73.02953	4.7
81.03468	3.0
82.46420	1.2
85.02959	3.8
86.98137	1.1
87.00941	1.8
89.02431	7.3
99.00898	1.6
99.04526	69.8
100.04890	1.7
101.02463	19.8
113.02447	4.8
119.03523	2.9
125.02451	45.1
143.03528	3.4
161.04616	1.5
202.29823	1.3
207.13957	2.1
225.14960	8.2
288.52075	1.3
369.19183	24.7
370.19241	1.6
387.20264	21.3
388.20248	1.5
411.20255	8.1
429.21243	50.4
430.21698	5.8
471.22263	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	617.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
57.03446	4.6
57.09344	1.0
58.93921	1.0
59.01382	26.8
61.98827	6.3
71.01383	27.6
71.38147	1.5
72.99339	1.4
73.02946	8.6
75.00908	1.2
83.01379	9.2
85.02957	12.1
85.25813	1.2
87.00896	1.2
89.02443	11.5
95.01402	2.2
96.96015	1.3
97.02924	1.7
98.91628	1.0
99.00909	2.6
99.04529	4.1
101.02448	31.6
113.02436	10.1
119.03512	5.0
125.02448	3.3
127.04038	2.3
137.02446	1.4
143.03529	2.7
159.02950	1.6
161.04535	8.5
165.01874	1.3
179.05602	2.6
180.04330	1.3
187.60760	1.0
193.05019	3.7
195.06624	2.2
225.07657	3.7
249.13414	19.1
250.13899	1.3
307.10349	2.2
316.19080	1.2
395.19223	22.2
454.72485	1.3
537.70416	1.3
557.24506	100.0
558.24957	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	617.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31502	1.0
57.03450	68.4
58.03788	1.3
59.01381	94.5
61.98829	9.7
62.93684	1.3
66.34739	1.3
67.71505	1.3
71.01393	7.0
71.35022	1.1
73.02956	3.1
81.03474	1.6
83.01348	1.4
85.02924	3.6
87.00857	5.5
89.02440	3.9
92.83606	1.3
96.96011	1.9
97.02937	1.6
99.00884	1.8
99.04521	100.0
100.04819	1.7
101.02446	19.1
111.68633	1.2
113.02450	3.3
116.92840	3.4
119.03471	1.8
125.02451	46.1
139.03928	1.3
143.03481	3.6
161.04552	3.3
174.01720	1.6
207.13893	2.8
369.19144	3.7
383.12955	1.2
400.69968	1.1
411.20212	1.9
429.21194	5.2
471.22427	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	617.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	70.4
59.01381	94.5
61.98825	10.9
70.29059	5.0
70.29428	2.6
71.01372	11.5
73.02949	5.1
73.04056	2.5
81.03461	4.0
83.01369	2.2
83.02508	1.8
85.02955	2.7
87.27530	1.4
89.02460	3.6
96.00922	5.9
97.04087	1.8
98.02485	4.2
99.02017	2.3
99.04523	100.0
100.04845	1.8
101.02457	18.7
113.02464	4.2
113.03599	5.9
125.02453	46.5
126.02757	3.6
127.47877	1.8
130.08749	24.7
143.03540	4.1
151.98448	1.4
155.11934	2.2
157.13431	10.2
161.04575	4.1
166.08728	4.5
169.09842	5.6
183.11377	2.6
192.33206	1.4
201.12411	7.6
203.05524	2.6
207.13817	2.4
212.10551	1.5
212.13821	1.4
213.09155	2.4
214.15668	3.6
222.12427	1.5
248.10333	2.1
266.11569	3.4
270.14597	2.4
271.17856	1.6
315.16797	4.7
351.16797	1.7
419.13336	6.9
429.20978	3.0
508.23907	8.8
525.26166	1.9
538.25208	27.4
539.25616	2.2
555.27783	21.4
556.27539	2.5
571.26001	4.0
573.28577	4.0
582.27911	7.4
599.30438	17.8
600.30103	1.8
617.31531	24.9
618.32336	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	616.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	5.1
61.98830	11.9
63.96230	1.9
70.99614	1.4
71.28214	3.4
72.00896	2.1
72.99346	1.5
73.01190	11.1
73.98315	2.6
74.02483	17.1
81.02142	1.6
82.95231	1.5
86.02471	13.5
86.06091	1.6
87.05628	3.9
88.04014	2.9
94.64162	1.5
99.05641	10.3
100.00425	3.8
104.98357	6.3
114.00202	2.3
120.01141	1.6
127.05097	4.9
128.03535	49.2
129.03870	1.8
130.05098	2.3
135.05624	2.4
141.06622	2.1
142.68196	1.5
143.04626	59.5
145.06219	7.5
146.04578	5.2
153.06686	4.3
160.00790	10.8
166.09821	2.4
167.04579	4.6
167.08234	2.0
171.07794	9.6
177.03383	3.2
179.04613	12.2
181.06206	2.8
185.05626	5.9
197.05739	3.6
199.07202	7.4
201.05273	2.9
210.08873	12.7
217.08185	2.1
244.09392	3.7
254.07820	19.9
272.08890	72.0
273.09354	3.0
288.06631	12.3
304.06070	19.6
305.08795	9.6
306.07645	100.0
307.07858	6.7
346.10822	3.8
378.07996	37.0
379.10532	1.9
452.09857	4.9
526.11804	13.7
637.64697	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	615.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53630	1.5
57.03450	59.4
59.01380	98.7
59.63602	1.3
61.98830	11.3
69.46291	4.4
69.46716	7.1
71.01380	16.6
72.99303	2.0
73.02953	12.5
81.03476	3.9
83.01389	4.3
85.02960	4.0
88.98811	1.5
89.02448	5.8
92.03236	1.4
96.96025	1.6
99.00896	1.9
99.04520	100.0
100.04856	1.6
101.02444	25.9
113.02462	9.1
119.03522	2.6
125.02447	50.5
126.02777	1.6
143.03494	6.2
149.04535	2.5
152.08525	2.2
153.09221	6.4
156.41475	1.4
160.20009	1.7
161.04509	7.4
179.10797	3.1
203.05615	4.3
205.12349	12.6
221.06496	2.2
223.13408	3.3
367.17599	10.9
409.18658	6.0
427.19739	15.7
446.73972	1.8
469.20932	3.9
527.24982	2.0
571.24280	1.9
585.30835	5.9
621.13916	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	615.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11133	1.3
54.35426	1.4
59.01366	1.4
61.98823	2.2
69.12849	1.2
74.02473	8.5
78.95905	4.1
82.02988	8.4
85.04068	2.6
87.05602	1.8
96.96016	9.6
96.96957	5.2
102.05634	1.6
106.24646	1.4
113.07214	14.6
115.08735	1.4
123.05697	1.5
124.04110	7.5
126.01957	4.5
127.05177	6.1
128.03540	100.0
129.03914	1.9
137.07187	4.2
141.06711	19.8
146.04568	3.0
155.08252	3.6
167.04610	12.1
167.08253	4.5
170.09308	4.0
180.11391	2.5
181.06111	2.4
184.10904	3.6
185.05663	30.6
185.09267	2.0
196.10922	1.9
198.12512	2.3
206.09332	1.4
211.07204	3.4
224.10405	3.6
229.08232	3.5
237.13586	1.6
241.13094	6.1
255.14667	2.6
266.11469	8.0
283.14072	5.5
284.12500	5.6
323.13547	2.4
341.14398	5.9
349.15063	1.5
470.18637	3.3
496.20660	1.5
509.19958	4.2
514.21118	5.9
527.20959	9.3
553.22247	8.2
571.23596	28.8
572.23950	2.6
597.24945	2.0
615.26270	50.5
616.26617	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	615.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03547	1.0
57.03177	1.2
57.03448	12.1
59.01385	18.9
61.98816	2.2
66.82588	0.8
69.03459	1.2
69.89693	2.6
69.90102	1.9
71.01398	4.3
73.02939	2.5
73.78863	0.8
76.35030	1.0
83.01367	1.0
85.02960	1.4
87.08300	0.7
88.98803	2.7
89.02487	1.8
98.20561	1.1
99.04523	16.6
101.02443	5.8
109.02914	1.2
113.02457	2.5
121.02946	2.5
122.03741	2.0
123.04524	2.5
125.02456	10.3
133.02946	3.4
134.03748	56.0
135.04088	2.5
136.01692	1.3
137.02460	14.5
138.03198	1.8
139.04007	4.7
143.03461	1.0
146.03755	1.4
149.02440	2.7
149.06084	17.8
150.03221	11.7
150.06473	1.1
151.00369	0.9
151.04016	6.1
153.09193	1.1
161.04510	2.6
164.04776	1.5
165.01907	8.2
165.05597	6.9
166.02724	8.0
167.03481	1.0
178.02719	37.2
179.03432	3.9
179.07120	7.5
180.04236	3.6
181.05078	15.4
192.04271	7.0
193.05060	100.0
194.05386	3.5
195.06647	4.8
201.17638	0.9
203.05630	1.0
205.04971	1.5
205.12321	5.4
207.06612	12.6
209.04515	1.4
211.06085	3.9
213.65741	1.0
225.07687	1.6
297.07489	1.1
359.11108	1.2
371.11215	3.7
389.12122	1.1
409.18906	1.3
419.13339	2.4
427.19592	3.8
473.14203	1.1
529.34601	1.1
586.44379	1.0
597.19293	1.5
615.20563	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	615.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	54.6
59.01380	90.9
59.05425	1.3
69.27608	8.5
69.28034	4.8
71.01381	5.5
73.02982	2.9
74.60931	1.3
81.03441	2.2
82.30338	1.2
83.01395	1.9
85.02976	1.8
88.54515	1.6
99.04523	100.0
101.02449	12.9
113.02450	4.4
122.84055	1.3
125.02450	52.3
127.23882	1.3
132.33038	1.3
134.03735	4.4
136.05177	1.5
138.06926	3.2
139.07625	1.9
143.03447	3.3
151.07681	2.1
152.08463	6.6
153.09224	21.7
161.04550	1.5
178.02676	2.4
193.05042	5.9
203.05627	1.8
205.12357	10.2
223.13503	7.2
295.24417	1.3
318.65512	1.7
334.18820	1.3
367.17581	11.3
409.18872	7.9
427.19778	14.8
428.20285	1.7
469.20654	4.5
582.82135	1.4
615.33331	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	615.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91183	1.2
57.03450	69.7
59.01382	97.8
60.99310	6.7
61.98838	2.5
66.97535	1.2
69.03461	1.5
69.43171	7.1
69.43595	5.3
71.01375	12.6
73.02949	12.3
81.03452	3.2
83.01374	4.2
85.02943	3.0
87.00896	2.6
88.98807	39.9
89.02434	5.0
92.79674	1.5
99.04523	100.0
100.04851	2.1
101.02448	26.0
113.02441	6.1
119.03433	2.2
125.02453	54.6
131.03497	1.8
134.03740	3.6
137.09738	2.0
143.03458	5.9
149.04509	2.1
149.06113	2.4
150.03181	1.9
153.09187	5.2
157.25891	1.4
161.04518	4.9
163.11281	1.7
165.09122	3.6
178.02635	1.8
179.10670	2.8
181.04993	1.7
187.11208	2.2
193.05074	9.4
203.05667	3.9
205.12340	11.8
221.06706	1.7
221.11922	1.8
223.13393	18.9
224.13347	1.5
309.46466	1.4
315.84967	1.4
367.17319	3.4
385.18518	2.2
409.18631	9.4
427.19843	17.0
436.95850	1.6
469.20694	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	615.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62874	0.4
57.03449	5.8
59.01378	7.2
60.99305	16.2
61.98829	7.9
64.41586	0.4
69.49361	1.1
69.49785	1.5
71.01374	2.7
73.02944	1.3
75.00874	0.4
83.01360	0.4
85.02945	0.9
87.00868	5.5
88.01195	0.5
88.98804	100.0
89.02454	2.2
89.99150	0.9
95.01461	0.5
99.00850	0.4
99.04510	7.7
101.02467	3.0
102.69689	0.3
112.98793	0.6
113.02434	1.0
115.00407	0.5
116.92841	1.5
123.04493	0.8
125.02459	4.2
131.30403	0.3
134.03748	0.9
143.03471	0.7
149.02448	1.3
150.03296	0.8
151.03979	0.4
161.04572	0.9
165.05550	0.8
166.02620	0.4
173.00905	1.6
174.01651	1.5
179.05635	0.5
181.05042	0.4
193.01534	0.5
193.05029	1.2
195.06622	0.5
203.05606	0.3
205.12323	0.8
208.03732	0.8
223.06114	1.5
223.13329	0.6
227.44337	0.4
245.01207	0.8
310.97214	1.0
312.96957	0.8
427.19757	0.7
615.20685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98830	100.0
63.99278	0.3
69.44971	2.1
71.01396	0.9
71.31667	0.2
75.80840	0.2
83.01418	0.3
85.02979	0.5
89.02467	0.5
96.96030	0.3
99.00896	0.2
101.02456	0.5
102.62086	0.3
113.02425	0.5
121.02957	0.4
128.03590	0.5
133.01483	0.3
203.71303	0.2
225.11526	0.4
268.15555	0.6
407.76541	0.3
612.15753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32598	0.1
55.63110	0.1
57.03468	0.1
57.19865	0.1
58.79340	0.1
59.01381	0.4
61.98829	100.0
62.67865	0.1
69.30633	1.2
71.01407	0.3
74.96172	0.1
75.00890	0.2
87.00906	0.1
89.56612	0.1
101.44213	0.1
113.02478	0.2
128.74422	0.1
136.00351	0.1
137.02466	0.1
248.51500	0.1
255.03258	0.2
258.25180	0.1
424.79996	0.1
426.73804	0.1
469.23123	0.2
552.25903	0.3
595.16724	0.1
612.25568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73693	0.3
53.06099	0.2
67.10024	0.2
68.66916	0.2
69.30962	1.3
69.31390	1.1
69.31599	0.2
72.04124	0.2
73.02948	2.9
73.83563	0.2
99.00848	0.3
99.92588	7.5
100.92638	0.3
116.92863	100.0
116.97244	1.1
117.01942	5.8
117.92866	4.3
128.93417	0.2
436.99042	0.3
456.54553	0.2
483.57285	0.3
606.93597	0.3
633.75549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3176
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
61.98829	1.8
69.68478	4.6
78.34194	0.7
85.79823	0.6
98.20650	0.7
121.02959	100.0
122.03329	2.2
135.87276	0.8
154.97223	0.7
180.05865	1.6
181.06595	8.3
225.05580	7.5
292.93063	0.7
313.07153	18.9
313.27429	0.8
314.07523	1.5
357.06137	9.4
370.60617	0.7
457.73035	0.7
612.31738	49.2
613.32269	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	614.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45934	0.3
50.79235	0.3
50.99174	0.2
57.03454	1.6
59.01381	3.1
61.98833	100.0
62.95368	0.3
69.73584	1.8
71.01385	1.3
85.02972	0.4
85.46143	0.3
88.98824	1.2
89.02425	0.6
96.95998	0.8
99.04534	2.8
101.02468	1.2
112.28911	0.3
125.02480	1.4
134.03749	0.8
146.81856	0.3
149.06047	0.4
161.09833	0.5
171.03107	0.3
178.02705	0.6
179.10793	1.8
193.05045	1.8
205.12357	0.6
281.05951	0.3
286.04340	0.6
287.04614	0.6
288.04910	0.6
523.57843	0.3
614.16046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59272	1.9
78.95899	68.6
78.96364	3.4
96.89349	2.0
96.95997	53.2
96.96954	100.0
98.22018	1.9
99.58086	1.8
113.92650	2.4
126.02681	2.5
225.65292	1.8
226.10011	2.1
259.66992	1.8
277.21732	6.9
316.64908	1.9
372.06467	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	611.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01704	0.9
56.00541	1.0
61.98820	1.8
68.74781	0.9
71.61504	1.2
77.59789	0.9
78.95905	70.9
79.95737	1.1
90.87131	0.9
94.14620	0.9
96.96006	47.7
96.96959	100.0
98.02459	1.3
98.90659	3.0
110.57980	1.0
113.92621	2.9
114.93463	1.3
277.21683	4.3
293.71683	1.0
294.34177	1.1
523.53381	1.0
527.20752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36433	0.2
58.37549	0.2
59.01392	0.5
61.98833	100.0
62.98531	0.3
64.35174	0.2
71.01393	0.7
71.60614	0.4
83.01368	0.2
84.58298	0.2
85.02935	0.6
87.00901	0.3
101.02426	0.6
111.38425	0.2
113.02487	0.4
203.00537	0.3
212.37267	0.2
227.03606	0.3
228.03766	0.3
255.02940	0.4
256.03458	0.4
283.02582	0.4
284.02847	0.5
285.03741	0.7
286.04407	0.7
287.04602	0.6
288.04837	0.3
535.82373	0.2
552.26843	0.3
612.15247	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07322	14.7
61.98827	67.5
68.76092	13.7
69.73443	100.0
74.09256	15.6
78.95913	60.5
90.32249	14.8
94.32718	16.6
96.96016	28.4
96.96978	83.3
137.61969	16.0
159.44858	15.2
247.06163	15.8
250.69299	16.8
299.54907	17.8
497.20383	17.8
528.80688	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	611.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55355	2.0
52.53495	1.6
55.01848	1.7
55.59515	1.7
56.68574	1.5
58.00579	5.6
59.01381	92.7
59.95703	1.5
61.98833	34.2
63.02408	1.7
69.37806	12.5
71.01382	72.4
72.99290	5.1
75.70223	1.6
83.01401	3.6
85.02955	12.5
87.00877	6.6
89.02444	84.3
93.03421	1.8
95.01354	3.7
98.20626	3.2
101.02438	31.4
109.02908	1.8
113.02448	27.2
113.65601	1.8
119.03500	33.6
125.02356	2.5
131.03459	3.1
143.03477	5.0
143.04959	2.0
149.04604	3.8
151.00334	4.9
159.04549	1.9
161.04532	7.4
163.00381	2.9
172.05292	4.5
178.99844	8.8
179.05602	37.4
186.06453	2.0
189.05560	5.4
190.06377	9.9
211.03874	1.7
213.05640	2.1
227.03482	25.9
228.03835	18.7
229.04865	9.8
230.05350	6.3
231.05609	3.1
255.02936	36.0
256.03329	24.4
257.03525	22.2
258.04666	4.9
259.05066	3.2
284.03281	20.8
285.03967	100.0
286.04276	80.1
287.04584	70.1
288.04871	3.4
371.14951	12.5
410.06570	1.9
611.15137	87.7
612.15063	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	610.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98833	100.0
71.01400	0.7
71.60909	0.3
85.02973	0.3
86.69905	0.2
87.00896	0.2
89.02454	0.8
99.05652	0.2
99.96203	0.2
101.02459	0.7
113.02475	0.4
116.23421	0.2
119.03537	0.4
128.03575	1.6
140.55582	0.2
143.04622	0.3
146.04669	0.2
153.06769	0.5
161.04596	0.2
172.70628	0.2
177.03462	0.2
179.04584	0.3
254.07822	0.4
269.57996	0.2
279.77890	0.2
285.04132	0.4
296.49347	0.3
341.11127	0.2
369.67368	0.2
394.42557	0.3
452.13162	0.3
504.14459	0.7
536.11633	1.5
550.25946	0.3
610.13824	1.2
610.23303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58156	1.4
57.03468	2.2
59.01383	28.4
61.98832	38.7
63.50917	1.2
68.77653	1.2
69.35262	1.0
69.35607	12.3
71.01384	21.2
71.88284	1.4
73.02955	4.9
75.00894	1.4
78.57043	1.3
83.01395	2.2
85.02949	8.9
87.00884	1.9
89.02453	14.2
95.01359	2.3
98.20627	2.9
101.02447	20.4
111.00874	1.9
113.02470	10.3
119.03507	7.5
128.03557	7.7
149.31467	1.6
161.04572	3.5
192.07689	1.4
197.13058	1.3
202.17000	1.3
207.13928	1.7
225.14915	8.8
241.11710	1.7
283.02283	1.9
284.03418	2.4
285.03806	2.3
387.20230	100.0
388.20575	7.6
416.87729	1.5
433.67465	1.2
504.14282	1.4
516.86249	1.3
549.25391	33.7
550.25647	2.3
575.35999	1.7
609.14771	3.2
609.29340	4.0
610.13141	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	609.51
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97042	12.7
61.98822	24.2
62.09631	13.7
62.47242	13.4
66.23206	11.9
70.68957	38.8
78.72890	13.0
90.57382	13.4
122.37458	15.5
137.18558	15.7
159.39209	15.5
169.84579	13.7
184.59444	14.6
202.90010	13.2
203.36105	14.2
233.96301	15.7
279.23337	100.0
313.67093	15.0
404.81433	16.8
507.62836	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	610.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
60.18715	0.3
61.85571	0.3
61.98832	100.0
69.39458	0.7
69.39852	2.3
71.01399	0.5
75.57291	0.3
88.98856	0.3
89.02444	0.4
93.03493	0.3
96.96020	0.6
101.02483	0.4
145.33882	0.3
151.00400	0.4
179.05666	0.4
194.62700	0.3
221.43279	0.4
223.06207	0.3
227.03558	1.4
228.03865	0.8
229.05017	0.4
230.05426	0.4
255.02979	1.8
256.03375	2.0
258.04932	0.4
282.31293	0.4
284.03183	2.2
285.03900	5.5
286.04340	3.7
313.86710	0.3
355.08093	0.4
501.41867	0.3
610.15039	6.4
610.24866	0.4
611.15491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33052	0.8
57.03450	7.4
59.01382	14.0
61.98831	100.0
62.57848	0.7
69.47149	7.7
71.01379	3.6
73.02927	0.8
73.78555	0.8
85.02981	1.6
88.04035	3.4
89.02426	1.6
98.20618	1.1
99.04526	13.1
101.02463	3.2
113.02454	1.5
125.02454	7.9
135.04532	1.0
143.03459	1.4
151.00359	1.6
157.00264	0.8
161.04579	2.1
163.44638	0.9
189.05627	0.9
205.08672	1.0
206.08232	1.6
214.32692	1.0
223.06013	1.0
255.03027	2.8
256.03360	2.8
256.63004	0.9
269.13922	1.5
283.02444	2.9
284.02896	3.3
285.03748	1.4
287.05850	1.0
287.14899	1.7
371.14908	1.8
389.15945	2.9
445.20834	2.2
449.20053	2.2
547.23810	2.6
550.25836	1.2
551.02417	1.0
610.15173	7.0
611.14636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03444	0.5
59.01379	9.9
61.98832	6.3
63.02399	0.8
65.00321	0.9
69.66905	1.2
69.67318	1.1
71.01384	12.2
72.99314	0.8
73.02956	2.6
78.46899	0.4
83.01398	1.6
85.02958	5.2
87.00899	1.2
88.38373	0.4
89.02448	6.5
91.67069	0.4
93.03488	1.2
95.01407	1.0
97.02953	0.7
99.00883	0.6
101.02448	8.8
107.01383	2.4
108.02214	0.5
109.02956	0.8
112.49527	0.4
113.02447	4.0
117.03496	0.5
119.03512	2.9
123.08178	1.8
125.02453	1.8
129.03584	0.4
131.03505	0.7
135.00917	1.3
143.03532	0.6
143.05043	0.9
151.00391	2.4
157.06580	0.6
159.03075	0.6
159.04559	1.9
161.04590	4.0
163.00362	2.8
163.11305	1.5
165.01936	0.5
167.04985	0.6
169.01524	0.6
169.06676	1.0
171.04521	1.1
179.05597	4.2
183.04514	1.0
185.02318	0.5
185.06067	3.2
187.04019	3.0
187.05461	0.6
189.05598	0.9
189.12846	2.0
195.04570	0.8
197.06131	0.8
198.03287	0.4
199.03993	1.7
201.05569	1.0
207.13921	2.3
211.04008	3.3
213.05574	2.3
215.03595	0.6
221.06613	1.3
223.49606	0.5
227.03494	27.6
228.03838	1.8
229.05064	12.3
230.05309	0.6
238.79102	0.4
239.03510	2.2
240.04265	1.0
241.05035	1.6
255.02988	47.8
256.03522	5.5
257.04556	7.4
258.04834	0.6
263.07635	0.7
267.03003	1.3
283.02524	6.0
283.99908	0.5
284.03262	42.7
285.04047	100.0
286.04395	7.0
323.09921	1.9
327.05072	1.5
369.18979	0.4
387.20313	2.8
446.08325	0.8
447.09448	2.7
549.25513	23.5
550.26038	2.2
609.14587	63.6
610.14917	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	609.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03436	0.9
58.00579	0.8
59.01381	15.9
60.01707	0.8
61.98830	7.1
63.02380	0.7
64.56903	0.5
65.00346	1.0
66.66071	0.6
68.07516	0.6
70.72845	1.7
71.01383	16.3
73.02940	4.6
83.01395	2.4
83.20815	0.6
85.02952	6.6
87.00879	1.4
89.02446	10.5
93.03495	1.4
95.01383	1.4
96.72478	0.6
97.02924	1.2
99.00887	1.4
101.02443	13.3
107.01395	2.4
109.02960	1.1
111.00899	0.6
113.02452	6.3
119.03494	4.5
123.08160	2.0
123.87479	0.6
125.02433	2.7
131.03488	1.0
132.02168	0.7
135.00829	1.4
137.09720	0.8
143.03523	1.9
151.00351	3.1
151.93227	0.7
153.01939	0.9
157.06589	1.1
159.04482	1.5
161.04565	6.4
161.66162	0.6
163.00359	1.9
163.11282	2.6
167.05026	0.8
169.06619	1.0
171.04601	0.7
172.88297	0.7
179.05626	7.6
183.04498	1.3
185.06065	3.1
187.04028	3.2
189.05551	1.0
189.12901	4.8
195.04523	0.8
197.06085	0.8
199.04004	1.0
201.05511	1.2
207.13864	3.6
211.03961	2.4
213.05544	2.7
221.06660	1.7
227.03488	24.9
228.03859	1.6
229.05043	10.8
230.05415	1.1
239.03496	2.0
241.05101	1.9
247.89604	0.6
255.02975	49.5
256.03586	5.7
257.04541	7.2
263.07825	0.9
267.02954	1.1
283.02493	12.9
284.03244	46.4
285.04031	100.0
286.04373	6.6
323.09818	2.1
327.05148	1.0
387.20187	2.5
446.08328	2.1
447.09286	8.8
447.18536	0.9
448.09543	0.8
489.10501	0.8
549.25537	39.4
550.25983	3.0
609.14606	70.5
610.14917	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98828	6.0
63.02393	3.2
65.00338	1.8
72.13689	0.4
74.31431	0.4
83.01389	2.6
93.03500	0.8
98.20724	0.8
107.01401	6.8
123.00897	0.5
123.20572	0.4
129.32030	0.4
131.60506	0.4
132.02187	1.5
135.00932	0.6
136.20724	0.4
137.94373	0.4
142.15608	0.4
151.00366	18.7
163.00339	1.9
164.01154	2.5
169.01503	2.6
169.06612	0.6
171.04568	0.8
183.04465	1.4
185.06145	0.6
187.03941	0.6
190.99858	0.4
196.00175	0.4
199.03981	0.4
200.04721	0.5
211.04027	2.5
213.05582	1.6
227.03488	6.0
228.04225	0.5
229.05054	1.5
239.03532	0.5
240.04143	0.7
241.05087	1.1
255.02977	28.9
256.03430	2.0
257.04572	4.3
269.04532	1.1
283.02481	49.9
283.99823	0.7
284.03232	51.9
285.04025	58.7
286.04440	3.3
297.03998	3.9
298.04657	0.8
300.02917	0.7
327.05170	6.0
429.08224	0.5
446.08414	6.6
447.09308	100.0
448.09659	7.2
489.10550	2.9
609.14545	27.7
610.15063	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76493	0.1
58.43898	0.1
59.01376	0.8
61.98820	0.1
62.42940	0.1
63.02402	0.8
65.00325	0.8
67.01881	0.1
71.03020	0.1
73.19196	0.1
78.67793	0.1
83.01380	0.8
84.64572	0.1
85.02979	0.1
89.02451	0.4
91.01906	0.3
93.03460	1.6
95.01397	0.1
98.19756	0.1
101.02433	0.3
107.01395	2.5
108.02202	0.2
109.02973	0.8
117.03475	0.5
119.01374	0.2
119.03545	0.2
119.05082	0.2
121.02965	0.2
123.00912	0.2
125.02466	0.6
130.04237	0.1
131.04996	0.2
132.02173	0.7
133.02924	0.1
135.00885	1.4
137.02420	0.2
141.07104	0.2
141.66397	0.1
143.05023	1.1
145.02943	0.3
145.06599	0.2
147.04543	0.2
150.99138	0.2
151.00375	3.9
153.01920	0.7
154.04263	0.3
155.05006	0.3
156.05807	0.2
157.06567	0.6
159.04495	1.3
161.02473	0.2
161.04599	0.1
161.05997	0.1
163.00385	2.2
164.01117	0.3
165.01991	0.3
167.05009	0.7
168.05836	0.2
169.01416	0.7
169.02861	0.2
169.06601	0.7
171.04523	1.0
173.02449	0.2
173.06068	0.3
174.03242	0.3
175.03972	0.2
178.99893	0.8
179.05603	0.1
182.03737	0.4
183.04520	1.4
184.05220	0.3
185.02469	0.3
185.06078	2.2
186.06346	0.2
187.03998	2.9
188.00023	0.1
189.05534	1.0
190.99922	0.3
192.00737	0.2
195.04507	0.7
196.05287	0.3
197.06062	0.9
198.03172	0.3
199.03978	1.0
200.04747	0.2
201.05530	0.6
210.03032	0.1
211.03992	2.5
211.07426	0.1
212.04688	0.4
213.01930	0.2
213.05533	1.8
214.02661	0.3
214.05928	0.1
215.03522	0.3
217.04988	0.1
223.04047	0.3
226.02693	0.2
227.03497	40.3
228.03857	2.2
229.05048	10.6
229.07433	0.2
230.05336	0.6
239.03461	1.8
240.04233	0.8
241.05038	1.8
243.02965	0.4
255.02985	55.9
256.03601	6.8
257.04550	7.0
258.04922	0.5
267.02924	0.9
268.03690	0.1
269.04553	0.2
271.06021	0.1
283.02493	0.5
283.06174	0.3
284.03262	49.2
285.04028	100.0
286.04382	5.8
299.05533	0.6
327.05096	1.6
418.82202	0.1
429.08325	0.3
447.09180	0.6
549.25543	0.4
609.14575	57.6
610.14923	5.8
610.25061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20568	0.1
59.01376	0.5
61.98812	0.2
63.02399	0.8
65.00324	1.0
71.60532	0.2
83.01388	0.7
85.02957	0.1
89.02443	0.4
91.01904	0.2
93.03458	0.5
95.01421	0.2
96.21793	0.1
101.02422	0.3
107.01390	2.4
108.02178	0.2
109.02965	0.2
113.02487	0.1
117.03477	0.2
119.01413	0.1
123.00886	0.2
124.01624	0.2
125.02433	0.3
131.04987	0.1
132.02168	1.0
135.00873	1.3
137.02388	0.1
143.04997	0.5
145.03006	0.2
147.04523	0.1
151.00375	5.1
152.01184	0.4
153.01939	0.2
154.04263	0.2
156.05780	0.1
157.06599	0.2
158.03645	0.2
159.04478	0.6
163.00375	1.4
164.01160	0.6
165.01956	0.1
167.05028	0.4
169.01482	0.9
169.06577	0.3
171.04456	0.5
173.06075	0.1
175.00404	0.1
178.99861	2.6
182.03648	0.2
183.04494	1.5
184.05070	0.1
185.02451	0.4
185.06105	0.8
187.04001	1.2
188.04240	0.1
189.05530	0.3
190.99901	0.2
192.00552	0.1
195.04503	0.3
196.05298	0.2
197.05995	0.4
198.03249	0.1
199.03951	0.6
200.04829	0.4
201.05438	0.2
209.00908	0.1
210.03065	0.2
211.03998	2.5
212.04630	0.3
213.01834	0.3
213.05525	0.8
214.02713	0.1
215.03503	0.2
223.03947	0.1
225.05609	0.1
227.03491	49.9
228.03854	2.8
229.05042	3.0
230.05331	0.2
237.05592	0.1
239.03447	1.0
240.04263	0.4
241.04929	0.5
253.04997	0.1
255.02974	80.0
256.03540	8.7
257.04538	3.7
258.05035	0.2
267.02939	0.3
269.04379	0.2
281.04456	0.3
283.02478	6.0
284.03244	100.0
285.03958	32.3
286.04349	1.9
297.04099	0.2
299.05743	0.1
309.04034	0.9
311.05786	0.1
326.04279	0.2
327.05020	0.9
339.04941	0.4
393.06332	0.1
401.08820	0.1
411.07092	0.1
429.08252	4.8
430.08658	0.5
446.08286	0.3
447.09277	1.0
461.10663	0.2
489.10468	0.5
494.39771	0.1
609.14563	70.2
610.14886	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	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79624	0.9
58.69322	0.9
63.02396	1.5
65.00340	1.5
69.01012	1.0
69.62295	3.9
69.62709	2.4
83.01375	1.0
99.67058	0.9
107.01377	2.4
132.02151	1.1
151.00340	3.5
163.00319	1.7
164.01184	1.4
174.75438	0.9
178.99800	1.4
183.82823	1.0
187.04048	1.7
194.53651	1.0
211.03943	3.1
227.03497	58.3
228.03748	2.7
229.05054	4.1
232.14738	1.0
239.03519	1.6
240.04286	1.1
255.02985	98.8
256.03531	9.3
257.04529	3.4
283.02466	2.5
284.03262	100.0
285.03964	25.8
301.67001	1.0
429.08249	2.7
609.14594	76.5
610.14899	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	609.1459
Annotation	Cyanin
Peak:m/z	Relative Intensity
54.53659	0.7
61.74186	0.7
63.02407	0.9
65.00314	0.8
67.01960	0.6
69.26831	7.7
107.01402	2.8
135.00842	1.6
141.91414	0.6
143.05023	1.2
151.00357	4.1
159.04539	1.3
163.00357	2.2
167.05013	1.4
169.06506	1.2
171.04424	1.2
177.23775	0.9
183.04514	1.4
185.06046	2.2
187.03947	2.8
189.05687	0.8
197.06142	1.0
199.04056	1.2
211.03983	3.4
213.05531	1.4
214.02609	0.7
227.03497	37.2
228.03821	2.6
229.05034	12.2
239.03561	1.3
241.05029	1.4
255.02974	51.3
256.03613	6.1
257.04562	6.4
284.03250	40.8
285.04034	100.0
286.04410	5.2
327.04929	1.6
367.92972	0.7
429.08542	0.9
609.14581	69.2
610.14880	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	609.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55980	0.7
59.01375	7.5
60.99302	0.9
61.98829	24.1
63.99253	1.1
71.01382	6.9
71.15197	1.3
71.15523	0.8
72.87359	0.8
72.99303	2.9
73.02950	1.2
73.91184	0.7
81.02531	0.7
83.01365	1.5
83.36630	0.6
85.02938	2.4
87.00867	1.2
88.98813	6.1
89.02437	6.3
89.99105	1.1
95.01383	1.0
96.96018	1.2
97.03014	0.7
97.48978	0.7
98.20012	0.8
98.48205	0.6
101.02436	4.6
107.01405	1.5
107.33799	0.7
109.02934	2.7
113.02459	3.9
119.03510	2.0
121.02946	1.0
123.04504	0.9
132.02182	1.5
133.02960	6.9
134.03737	1.0
135.00905	1.1
135.04539	1.0
137.02451	1.0
143.03569	1.0
149.02394	1.1
151.00357	2.6
159.04442	1.4
160.01578	2.3
161.04492	1.8
163.00366	1.3
163.04027	0.8
174.03079	0.9
175.03987	5.7
176.04524	0.8
177.01875	2.2
177.05574	0.9
179.05614	2.7
183.04468	1.1
185.06114	0.8
187.03941	1.4
191.03462	0.9
193.05023	0.9
199.03986	0.8
200.77754	0.8
203.03438	0.8
205.01361	1.0
211.03929	2.6
213.05562	2.2
215.03560	0.9
221.06401	0.8
226.02692	0.9
227.01268	1.2
227.03490	21.9
227.05704	1.3
228.03784	1.1
229.05089	4.5
235.02451	0.9
239.03461	1.2
240.04070	0.8
241.04980	1.6
255.02972	41.6
256.03485	3.8
257.04565	4.5
257.55743	0.8
267.02939	0.8
281.04593	0.9
283.02484	23.7
284.03226	28.9
284.06415	1.4
285.04028	75.3
286.04385	3.1
297.04105	2.0
298.04861	6.1
299.05481	3.3
310.04767	0.8
311.05618	5.5
312.06354	5.1
313.07104	7.0
323.05737	1.5
327.05020	5.0
339.05124	9.0
341.06732	4.7
344.05621	0.9
351.05383	1.2
353.06653	3.9
357.06046	1.5
367.04407	1.5
369.06140	31.1
370.06610	2.0
381.06137	3.4
383.07852	1.3
387.20300	1.1
399.07208	23.2
400.07355	1.8
411.07150	2.8
429.08032	5.1
441.08023	1.3
446.08545	4.0
447.09271	15.1
462.16260	0.9
471.09045	1.6
489.10352	26.6
490.10709	2.1
519.11334	8.8
549.25684	6.1
591.13568	2.2
609.14551	100.0
610.14905	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	608.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
60.99308	15.4
61.98846	2.2
64.54800	0.4
70.63284	0.7
70.63591	0.6
78.95896	3.6
80.33770	0.4
87.00877	3.0
88.00409	3.1
88.98809	100.0
89.02444	11.5
89.99117	0.4
96.96978	0.7
152.99585	1.3
211.27449	0.4
279.23315	4.2
280.23792	0.8
315.21277	0.6
346.05685	0.9
433.23566	0.6
459.25018	0.6
504.31021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	17.6
61.98828	1.9
70.52916	1.8
75.50478	0.5
78.95914	3.6
87.00874	2.7
88.00409	4.1
88.04062	0.6
88.98808	100.0
89.02448	14.5
89.99136	0.6
99.22569	0.5
124.89243	0.5
125.00092	0.7
140.31166	0.4
152.99594	1.5
279.23352	3.6
280.23538	1.0
433.23303	0.6
459.25598	0.7
504.31146	1.6
518.32654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
59.66497	0.6
61.98839	0.7
63.02401	0.6
69.34891	2.7
69.35313	3.3
117.69875	0.6
151.00386	3.0
164.38083	0.8
183.04503	1.3
185.02454	0.8
211.04022	2.7
227.03496	2.6
255.02977	52.8
256.03290	3.3
283.02472	100.0
284.03052	12.2
285.03995	9.3
337.16873	0.8
369.86938	0.7
409.31598	0.7
446.08527	8.7
447.09381	5.8
447.25275	0.7
549.25690	2.0
609.14587	91.1
610.14874	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	607.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	66.4
57.54629	2.8
59.01381	100.0
61.98176	3.0
61.98829	36.7
71.01383	7.0
71.53293	4.8
80.96555	3.9
85.02944	4.1
87.04513	13.9
99.04521	82.3
101.02407	14.6
113.02406	5.5
116.92899	3.3
125.02438	39.8
139.24623	3.2
155.62482	3.4
168.62993	3.7
173.50578	3.3
180.52583	3.4
224.54579	3.5
231.14156	2.8
280.61859	3.3
306.07614	3.4
365.99078	4.0
488.26575	3.1
607.24213	8.4
607.34912	33.9
627.68701	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	607.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21903	7.0
51.41074	6.9
59.01386	97.0
69.77877	47.4
71.01391	100.0
73.02940	36.4
83.01386	19.7
85.02969	22.7
87.00872	10.0
89.02448	59.4
97.02923	14.8
101.02454	82.7
113.02456	34.0
119.03509	26.5
143.03514	13.9
150.97061	7.6
153.09174	15.9
161.04590	75.9
176.62657	7.3
179.05566	44.3
205.12296	16.7
227.03477	15.1
240.04117	7.1
255.02939	20.3
284.03308	13.6
285.03961	11.2
385.18591	8.3
387.19922	8.4
452.77252	8.3
489.10547	38.0
490.10651	22.3
518.56158	8.3
547.23901	57.4
548.24072	14.1
548.59235	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	608.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.4
59.59071	0.2
60.15165	0.2
61.98834	100.0
69.28279	1.7
69.28689	0.4
71.01391	0.4
71.11937	0.2
85.89469	0.2
87.00896	0.3
99.00866	0.2
109.54697	0.2
111.62482	0.2
113.02488	0.2
115.00396	1.8
116.92891	0.2
117.80335	0.2
126.62868	0.2
175.02507	1.0
227.03561	0.7
248.30090	0.2
255.03059	0.9
271.02402	0.3
284.03387	1.1
285.04092	0.8
291.05240	0.3
293.12442	0.3
300.02890	0.3
321.09872	0.6
406.88409	0.2
413.11066	0.2
433.07986	0.6
485.12994	0.8
525.64325	0.3
527.14465	0.2
609.14667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12976	2.3
57.90373	2.7
59.01384	24.6
59.17313	2.5
59.61729	2.1
61.98834	22.7
69.74589	7.5
69.75001	6.8
71.01380	22.3
72.99332	3.3
73.01187	5.4
75.00883	7.3
78.65308	2.2
85.02951	6.8
87.00872	31.3
89.02457	8.4
91.83198	2.7
95.00262	2.4
98.19943	3.7
99.00897	4.4
101.02419	11.5
102.68621	2.4
111.00867	4.2
112.27056	2.1
113.02451	7.3
113.99585	6.0
114.17249	2.3
115.00377	87.5
116.92846	3.3
134.06078	4.8
143.00024	2.8
146.06195	4.1
148.07660	8.4
156.20908	2.3
158.06154	4.2
160.07707	17.7
161.04636	3.4
171.06842	3.3
172.07649	3.0
173.04793	7.0
174.05615	29.7
175.06357	3.3
176.07240	11.9
188.07121	13.8
190.08717	3.0
202.05121	8.0
204.06564	3.8
207.01283	2.7
211.08710	3.0
216.06668	10.6
217.07433	18.2
217.90204	2.3
225.10406	4.1
232.06116	5.4
239.08246	3.0
244.06119	4.3
247.02811	2.6
254.10599	20.9
260.05661	10.0
268.12033	3.6
269.12936	100.0
270.13168	7.1
271.14532	5.1
283.14587	16.0
292.80707	2.9
297.08301	29.8
297.12173	4.5
299.13962	6.2
327.13388	3.8
336.07013	10.3
337.07767	55.9
338.08105	4.4
341.15085	4.6
385.14008	86.1
386.14081	7.7
568.62372	2.6
607.31171	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	606.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30153	1.5
59.01380	17.3
71.61799	2.2
78.95901	28.1
88.72970	1.6
91.56669	1.6
99.92651	2.1
115.92076	4.4
116.92879	4.7
152.99580	5.4
168.04269	2.6
179.89153	3.5
180.90030	2.6
196.89458	3.9
224.06897	8.0
236.92468	2.0
242.07932	2.2
269.23526	1.5
273.45609	1.6
307.26410	100.0
308.26727	9.4
345.34741	1.6
395.62054	1.7
438.23178	2.0
465.64145	1.7
504.73083	1.7
527.76044	1.9
532.34052	74.3
533.34631	8.5
607.19751	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	607.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90357	2.9
58.43507	3.4
59.01384	35.6
60.99295	4.7
61.98830	15.6
69.45243	28.3
71.01397	12.5
72.99304	4.1
78.95928	3.3
85.02978	4.9
88.98817	28.7
89.02457	7.6
90.51003	3.2
98.20658	6.7
113.02456	11.4
119.03538	4.3
121.02964	4.4
128.03577	3.5
149.02444	31.5
152.01161	5.7
161.02455	3.6
163.04010	6.0
164.04784	37.0
167.03522	4.5
175.00368	9.7
179.07155	12.3
188.79082	3.5
190.02716	41.5
193.01392	4.3
205.05048	61.8
206.05739	5.5
208.03772	19.2
210.50830	3.7
223.06104	100.0
224.06482	5.1
247.06128	5.8
255.03018	4.4
265.07266	24.4
283.02527	4.9
385.11423	59.1
386.11749	5.5
490.10284	3.6
607.13330	7.3
610.45160	3.8
620.51801	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	607.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19661	1.5
60.59737	1.5
62.96403	1.6
71.01404	2.2
71.51978	2.0
73.76042	1.5
75.23353	1.6
78.95909	100.0
82.06442	2.0
83.31594	1.5
84.04684	1.5
87.00878	2.0
96.96960	4.1
99.92591	11.6
115.92082	31.4
116.92857	25.5
150.97980	5.8
152.99585	31.7
154.21425	1.7
155.95227	1.6
164.90446	2.5
171.00630	6.1
172.95480	6.0
178.88406	4.7
179.89224	29.5
180.90050	23.6
181.90800	2.1
194.87772	2.0
196.89490	49.7
197.89659	1.7
205.90741	2.8
206.91580	2.4
219.92322	2.3
221.90388	1.6
227.03209	1.8
234.63029	1.6
234.91072	3.0
235.91853	9.0
236.92610	22.9
252.92142	3.6
279.23352	16.2
309.95480	1.9
366.32166	1.6
456.07425	1.7
498.15033	3.3
499.15610	7.6
507.27167	6.2
516.15759	6.7
557.44263	2.3
559.17963	4.3
571.17664	9.5
589.18701	6.6
607.19806	61.0
608.19727	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	606.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40775	0.2
59.01379	1.1
60.99307	1.7
61.98833	100.0
69.30173	1.8
71.01396	0.8
79.59982	0.2
85.02966	0.3
87.00893	0.3
88.98811	9.9
89.02457	0.7
90.98470	0.2
101.02461	0.5
106.38813	0.2
113.02483	0.4
116.92874	0.3
119.03520	0.2
132.02197	0.2
133.02492	0.2
150.03270	0.3
151.34036	0.2
160.01711	0.8
161.02066	0.7
161.04631	0.2
175.04036	1.5
176.04404	0.6
179.05605	0.2
193.05087	0.4
193.34518	0.2
245.66869	0.2
388.05420	0.2
397.11240	0.4
398.11859	0.3
546.23993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	15.1
61.98825	1.7
63.42818	0.5
69.41030	3.0
69.41435	1.3
78.95902	17.5
87.00868	1.8
88.00404	2.9
88.98807	100.0
89.02444	7.7
96.96952	4.3
97.42921	0.5
112.09180	0.5
134.04715	2.3
150.97997	0.7
152.99597	1.5
211.00154	0.7
265.26721	0.5
269.68091	0.5
272.81094	0.5
277.21771	2.6
278.21954	0.6
338.99100	0.5
346.05597	9.6
409.29327	0.9
502.29105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42440	0.8
59.01385	3.6
60.99311	14.6
61.98824	1.3
68.73391	0.6
78.95915	3.4
87.00901	1.6
88.00414	2.2
88.04022	1.0
88.67017	0.7
88.98809	100.0
89.02444	10.1
97.84742	0.7
103.82074	0.7
132.73360	0.6
152.99556	1.0
153.39101	0.6
277.21774	2.3
313.20432	0.7
320.47272	0.8
431.22244	1.0
457.24081	0.7
465.35733	0.7
501.86276	0.7
502.29239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39851	1.6
54.42531	1.6
58.02973	4.6
59.01372	6.2
61.98837	3.9
66.56386	2.1
71.01384	5.0
72.00913	1.8
73.01180	8.9
74.02473	12.9
76.58863	1.8
82.02979	2.3
85.02971	2.1
86.02481	6.6
87.05634	2.5
98.20635	5.4
99.05643	10.1
101.02470	3.5
127.05151	2.5
128.03552	31.1
135.05644	2.3
141.06700	3.0
141.21471	1.5
143.04623	42.1
144.05040	3.1
145.06190	4.8
146.04581	3.5
150.38782	1.7
160.00708	8.7
166.09875	2.8
167.04642	4.1
171.07770	2.6
177.03387	4.2
179.04555	8.8
185.05730	2.4
210.08836	9.9
242.07976	1.9
254.07814	10.2
272.08878	23.1
288.06458	3.0
304.06104	3.9
306.07663	100.0
307.07880	5.1
324.57687	1.9
346.10773	23.7
363.95920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61308	0.3
65.82005	0.3
70.63419	0.6
77.21423	0.3
77.24250	0.3
77.59052	0.3
92.87115	0.4
111.28681	0.3
114.15855	0.3
134.06203	0.3
149.22272	0.4
162.05621	0.4
206.71844	0.3
213.81871	0.4
394.11526	0.5
416.16165	0.5
428.16614	0.8
429.17090	1.0
430.17816	0.9
443.19214	0.9
444.19308	0.6
457.20844	1.8
458.21213	0.8
459.17709	3.0
469.20233	0.6
470.21588	0.6
471.18448	1.2
472.18933	0.9
473.19836	4.2
475.21399	0.5
485.19601	1.5
485.24164	1.3
486.20868	4.0
487.20975	0.5
496.18747	1.0
499.17743	2.2
500.18243	1.0
501.23932	2.7
503.20547	0.5
511.21307	2.6
513.19281	3.0
514.20111	9.8
515.20270	1.2
517.18915	0.8
518.19702	1.4
528.21698	0.6
529.22443	100.0
530.22791	13.4
532.21381	1.4
533.22144	2.3
539.36890	0.4
561.24982	0.8
573.21393	1.1
605.23724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29008	1.5
57.03445	2.1
58.02976	7.6
59.01377	8.0
59.92447	1.3
61.98831	6.1
65.01461	1.4
69.45320	2.1
69.45723	8.2
70.96680	1.4
71.01386	4.3
71.49554	1.4
72.00455	1.2
72.00891	2.7
73.01166	11.9
73.02950	1.4
74.02467	15.6
78.95904	6.8
81.04607	1.6
82.02979	1.9
84.04543	1.3
85.02959	2.5
86.02487	9.5
87.00839	1.3
87.05616	2.8
89.02452	2.0
92.76752	1.3
96.63258	1.2
96.96970	3.8
97.04060	2.8
99.00880	1.4
99.05636	11.5
100.00367	1.3
101.02452	2.8
101.07208	2.1
102.05626	1.5
109.04096	1.8
112.04057	1.6
113.02454	3.5
114.00160	1.7
123.05651	1.5
123.71659	1.3
127.05112	4.3
128.03540	47.2
129.91982	1.4
135.05629	3.3
141.06783	2.9
143.04623	49.5
144.04913	1.3
145.06181	4.8
146.04584	3.6
153.06754	2.3
160.00702	8.6
166.09776	2.3
167.04623	2.7
167.08281	2.9
171.07750	4.7
177.03392	2.5
179.04593	11.3
180.09218	1.3
181.06125	1.5
185.05656	2.5
199.07268	2.2
210.08893	9.3
223.13542	1.6
242.07904	1.9
254.07806	12.9
272.08890	29.9
288.06558	7.0
304.06018	7.0
306.07645	100.0
307.07892	5.1
326.68665	1.2
328.09702	1.4
346.10739	37.7
347.11093	2.0
357.08890	5.1
378.07968	7.1
395.08344	1.9
419.84961	1.4
429.09140	1.6
479.86188	1.2
513.58105	1.3
516.11969	1.6
571.25909	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	605.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.4
66.92115	1.4
71.61860	1.4
78.95904	100.0
81.34103	1.2
93.86610	1.2
96.95994	3.1
96.96987	3.7
98.95609	2.1
99.92576	16.6
100.93337	1.7
115.92078	38.2
116.92086	3.0
116.92867	25.2
150.97983	4.3
152.99586	29.5
163.89821	1.9
164.90552	2.2
169.05518	1.2
171.00618	4.4
172.95476	5.6
178.88431	5.9
179.89211	25.0
180.90016	23.7
181.90765	4.7
194.87953	1.5
196.89487	51.5
197.89571	1.8
203.54269	1.2
205.90723	3.9
206.91580	2.9
208.89568	3.1
218.91568	1.6
219.92209	1.5
234.91052	1.4
235.91794	7.4
236.92645	16.3
252.92026	2.1
253.92940	4.5
267.78290	1.4
277.21695	11.7
278.93631	1.4
292.95239	1.4
433.16843	2.8
496.13623	3.7
497.13977	7.4
505.25858	10.3
513.13751	1.9
514.14313	7.2
557.16388	5.4
558.16614	2.4
569.16095	12.2
584.13800	1.4
587.17175	8.5
601.14832	3.4
605.18323	52.0
606.18408	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
60.99314	19.0
65.76941	1.6
70.42261	4.6
75.75291	1.8
79.27226	1.6
87.00877	17.1
88.00414	14.3
88.01191	2.7
88.98810	100.0
89.02444	96.2
90.09811	1.7
96.96050	1.9
107.47550	1.5
148.91000	4.7
188.29420	2.2
324.97797	3.7
426.85617	1.8
603.20081	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76712	2.1
58.88425	1.8
59.01371	3.3
60.37031	1.7
60.99304	13.3
61.98846	2.2
78.95901	4.0
87.00876	20.4
88.00393	15.3
88.04054	3.9
88.98810	69.4
89.02448	100.0
98.20618	8.4
102.36433	1.8
126.24600	2.1
143.90833	2.1
148.91000	5.8
224.35286	2.3
229.87354	3.1
277.21829	2.6
278.22174	3.2
290.98883	2.4
324.97827	3.5
342.98792	2.6
402.30872	2.0
603.20038	6.5
622.69885	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	604.2297
Annotation	Renieramycin R
Peak:m/z	Relative Intensity
53.42188	1.6
57.03466	1.5
59.01375	6.8
59.59721	1.6
61.98824	7.2
65.74775	1.5
69.73466	8.0
70.02966	4.8
71.01389	5.1
84.04564	3.1
85.02945	2.4
87.05672	1.9
88.04061	2.1
96.00922	22.6
96.04565	2.1
96.96023	1.9
97.04097	2.8
98.02484	16.6
98.19823	1.7
99.05657	13.6
101.02448	4.5
102.05613	30.0
104.75768	1.6
107.56356	1.8
111.00859	1.9
113.02435	3.3
113.03578	1.9
114.01971	7.8
114.05583	2.4
116.01241	1.9
116.07184	9.6
121.95478	1.7
124.04051	11.1
124.07671	6.0
125.07171	2.5
126.05600	2.1
128.03546	98.6
141.06723	16.7
146.04613	25.0
147.05995	3.1
155.08261	5.3
155.11885	3.3
157.13463	2.2
161.04562	2.2
168.03015	2.4
169.09842	8.9
179.11882	5.1
187.10814	2.3
189.07047	21.3
189.43158	1.5
201.12498	4.0
205.09790	2.2
223.10857	4.0
267.09842	23.2
286.08456	2.5
304.09717	2.3
308.16327	1.8
316.15176	3.5
352.15027	3.5
396.14163	45.0
397.14523	2.4
414.15030	3.0
457.17584	18.4
458.18045	3.4
475.18546	6.5
586.21887	100.0
587.22241	12.8
602.70514	2.0
604.22974	76.1
605.23199	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	601.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75006	0.7
55.01861	0.9
57.03438	1.7
57.44043	0.7
58.00593	2.8
59.01381	37.8
61.98813	1.2
68.99799	0.9
69.03455	1.9
69.30490	2.2
69.30903	5.0
71.01385	47.0
72.01718	0.8
72.99297	2.5
73.02946	6.9
75.00867	1.4
83.01394	14.3
85.02955	13.4
87.00879	55.1
89.02445	36.9
95.01393	4.3
97.02964	2.2
99.00883	2.2
101.01772	1.6
101.02448	28.7
111.00880	1.3
113.02452	35.4
115.04011	2.5
117.16280	0.8
119.03506	9.9
125.02444	2.6
125.06030	1.2
129.01924	2.5
131.03494	3.1
139.07632	1.1
141.01921	3.4
143.03496	7.9
161.04564	12.4
179.05614	18.2
186.56026	0.8
231.60513	0.8
243.95303	0.8
273.22324	4.0
277.21716	100.0
278.22000	6.0
291.23294	25.4
292.23636	3.2
301.21725	3.0
319.22803	9.3
320.22897	1.1
323.09845	16.7
324.10010	1.0
331.22852	1.4
341.10867	55.2
342.11130	3.3
349.23788	0.9
364.43433	0.8
469.82745	0.9
601.32452	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	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93065	0.5
52.57046	0.6
56.11730	0.5
56.83617	0.4
59.01368	1.0
59.52784	0.5
67.55385	0.5
71.01385	1.0
71.60854	0.8
84.76390	0.5
87.00874	100.0
88.00415	6.0
88.01193	1.2
88.04038	1.2
89.02425	0.6
93.10571	0.5
112.06503	0.5
113.02454	1.8
134.59323	0.5
137.24982	0.5
150.43512	0.5
151.58490	0.6
181.38065	0.5
247.14282	0.5
263.22778	0.6
277.21701	13.4
278.22003	1.2
323.09863	1.4
372.28613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	11.2
58.78923	3.9
59.01387	3.0
59.59201	2.9
61.98822	11.9
63.94474	6.0
64.95242	18.8
66.68098	3.1
71.16418	4.4
71.16750	5.5
73.01170	3.4
74.02475	32.4
81.06989	3.6
86.02479	17.8
87.05644	5.6
97.04101	4.1
99.05624	22.7
100.00382	4.1
102.05633	3.8
106.99941	32.0
109.04090	5.7
112.04044	4.1
125.03590	5.2
127.05122	3.6
128.02029	3.4
128.03534	91.8
131.50673	3.3
135.05627	6.6
140.19345	3.4
143.04613	100.0
145.06180	5.3
146.04572	13.4
153.06703	5.2
166.09854	4.2
167.04677	4.5
167.08235	6.8
171.07776	10.7
177.03448	9.3
179.04642	30.0
185.05679	8.6
192.07826	5.0
197.05678	7.7
199.07251	5.8
210.08832	32.5
215.92128	3.9
254.07819	59.0
272.08871	89.2
273.09186	7.9
288.06570	14.3
306.07675	27.1
382.45795	3.9
602.14966	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90248	0.9
57.03447	73.1
58.03792	1.2
58.37466	0.8
59.01377	7.9
60.68156	0.9
61.98831	5.5
69.42951	6.7
69.43361	1.8
71.01393	4.1
72.58001	1.0
73.02946	1.3
81.03477	2.1
85.02923	1.1
89.02454	1.3
96.00911	3.4
97.02943	1.4
98.19898	1.8
99.04518	59.3
101.02447	10.9
113.02449	2.9
113.03576	5.8
125.02444	30.7
126.02817	1.1
128.03552	1.3
143.03465	1.2
153.01976	7.0
161.04582	1.4
166.08688	1.7
179.35199	1.0
181.01419	57.7
182.01627	2.0
196.03760	66.5
197.04088	1.9
211.06110	100.0
212.06418	4.4
278.11557	1.1
452.52246	1.2
604.26611	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	603.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41852	2.3
57.03188	4.8
57.03452	69.6
59.01384	100.0
61.98827	17.8
66.75192	2.3
70.99623	2.7
71.01386	38.0
71.61605	2.7
72.66739	2.3
72.99268	2.3
73.02940	8.5
81.03461	2.4
83.01386	5.1
85.02946	9.4
87.00896	4.7
89.02455	15.6
95.01385	3.7
97.13172	2.2
99.04523	76.7
101.02447	25.6
113.02451	19.2
119.03522	8.3
125.02447	41.4
143.03514	2.7
143.04625	2.3
161.04503	3.7
174.01729	3.3
179.05733	5.4
180.66466	2.0
193.04906	3.1
208.06723	2.4
211.22075	2.9
276.64621	2.4
307.68155	2.4
354.45538	2.7
415.19632	10.2
457.20581	8.8
535.26660	3.7
543.28125	16.0
561.29205	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	601.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09267	1.3
57.03448	100.0
58.03788	1.5
59.01379	90.5
61.98829	9.1
64.63013	1.0
70.91897	1.1
70.92235	2.7
71.01385	5.9
73.02947	2.5
74.84209	1.1
81.03455	3.0
81.33544	1.1
82.37418	1.1
82.59886	1.1
83.01375	1.9
85.80199	1.0
99.04518	96.9
100.00169	1.0
100.04855	2.1
101.02438	18.8
113.02457	1.1
125.02447	40.4
143.03447	2.8
143.04588	1.3
161.04564	2.0
163.66783	1.1
168.86630	1.1
272.22131	1.3
413.21146	1.3
508.89758	1.1
547.76605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33297	1.9
55.32555	2.0
57.03450	100.0
59.01098	4.3
59.01379	68.9
61.98824	7.9
70.92271	5.6
71.01376	15.2
73.02938	22.2
81.03463	4.0
83.01397	4.2
83.61892	1.8
85.02941	2.4
89.02424	3.4
91.36346	1.7
99.04520	97.7
100.04856	3.9
101.02442	30.8
108.69643	2.1
113.02433	6.6
125.02447	47.2
126.02708	3.1
131.03511	2.2
132.09842	2.1
143.03453	5.7
145.21178	2.0
155.03470	2.5
161.04535	5.0
203.05591	4.6
204.97131	2.0
273.82727	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	601.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48078	0.9
57.03448	60.5
57.73992	1.4
59.01380	100.0
61.98832	2.0
70.91896	1.4
70.92217	2.1
71.01380	3.3
81.03458	2.6
83.01391	0.9
85.02979	1.8
90.17539	0.9
99.04522	87.7
100.04846	2.1
101.02446	11.4
106.34580	1.0
125.02444	41.6
143.03476	2.7
147.58286	1.0
161.04552	1.5
237.19881	1.3
343.14743	1.0
371.20883	1.4
413.21692	3.8
455.23093	1.7
544.81439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12880	0.2
54.42969	0.3
59.00951	0.2
59.01363	0.6
60.50531	0.2
61.98833	100.0
65.03120	0.2
69.27258	0.5
69.27661	2.0
71.01402	0.5
96.25498	0.2
98.20644	0.6
116.07195	0.4
116.16026	0.2
128.03560	0.5
135.03049	0.5
142.14655	0.3
193.55244	0.3
233.95529	0.3
243.54539	0.2
490.53448	0.3
599.30695	0.4
600.30615	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	600.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.3
58.02972	16.2
59.01370	6.6
61.98830	34.5
66.03508	1.7
70.81966	4.2
71.01393	3.2
74.02472	27.2
81.04594	1.8
82.02971	5.1
86.02480	13.7
86.06070	1.9
87.00871	2.0
87.05619	5.4
92.02974	1.4
96.04554	1.6
96.96000	5.0
97.04063	4.3
98.02422	1.7
99.05639	27.1
99.92590	1.8
101.02464	1.9
101.07193	6.3
102.05599	4.4
109.04079	3.6
111.05624	3.7
112.04044	3.5
112.98877	2.3
113.03555	1.8
123.05605	2.2
124.07671	1.5
125.02459	2.5
125.03564	5.5
127.05128	6.1
128.03542	74.4
135.05620	9.5
141.06691	4.4
143.04620	91.2
144.04922	2.5
145.06186	4.7
146.04625	10.8
149.07198	1.7
153.06674	7.8
166.09834	5.7
167.04582	5.2
167.08287	8.0
170.03304	2.5
179.04604	24.6
192.07788	3.8
197.05690	3.6
197.43866	1.8
210.08861	23.7
254.07820	58.1
255.08168	2.7
259.29785	1.7
272.08875	90.8
273.09103	3.6
275.20175	1.9
293.21075	7.5
306.97168	4.5
327.20071	13.2
414.23322	2.0
471.25116	12.5
546.82507	1.7
582.28326	17.2
600.29614	100.0
601.29871	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	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34700	1.4
57.03449	82.7
59.01379	100.0
61.98830	10.5
69.29971	13.2
71.01385	11.7
73.02950	4.9
78.95917	2.4
81.03450	4.6
82.80478	1.3
83.01376	1.7
85.02988	1.5
89.02457	1.6
98.20731	2.4
99.04520	99.5
101.02444	16.4
113.02457	3.3
114.75316	1.5
125.02451	54.3
126.02795	2.5
137.09695	2.2
141.43236	1.6
143.03506	3.2
159.79115	1.3
160.01694	3.1
161.04533	4.4
174.01663	2.7
175.04025	2.8
203.05595	7.4
207.13972	10.7
297.02493	1.4
430.49930	1.6
436.55829	1.6
546.54443	1.6
563.24786	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	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21670	0.8
57.03448	71.5
58.03772	1.2
59.01381	93.2
61.98817	2.1
62.28881	1.0
70.74084	1.7
71.01392	10.7
73.02946	8.5
81.03471	3.6
81.81955	0.9
83.01387	3.3
85.02921	1.1
89.02442	1.5
97.02927	1.0
99.00895	1.1
99.04519	100.0
100.04826	1.5
101.02446	19.5
109.18379	0.8
113.02451	4.5
125.02446	52.2
131.03477	1.6
137.09711	1.9
143.03502	5.1
145.78929	1.0
155.03461	1.2
158.52834	0.9
161.04541	3.9
203.05605	4.0
300.34726	0.9
342.23099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72381	1.6
57.03450	78.1
59.01380	100.0
61.98817	5.2
69.26804	12.2
69.27209	2.2
71.01385	12.6
73.02939	10.0
81.03461	3.2
83.01388	4.8
85.02959	1.9
88.42795	1.8
89.34647	1.4
89.79141	1.4
99.04520	98.0
100.04845	2.8
101.02441	25.3
101.94517	1.7
113.02468	6.2
125.02445	50.1
131.03566	1.6
143.03514	6.3
155.03569	1.8
161.04546	2.7
203.05559	3.0
238.31961	1.6
264.58066	2.0
344.17276	1.6
384.16119	1.8
396.06702	1.7
599.28149	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67155	3.3
57.03453	85.4
59.01382	59.8
61.98832	33.3
63.33213	3.6
71.01389	24.3
71.61832	5.5
73.01156	3.9
73.02951	17.2
83.01404	5.5
85.02946	5.7
96.96043	3.6
99.04521	100.0
101.02445	37.7
102.51114	3.6
113.02493	7.1
125.02449	49.2
130.42941	3.4
142.99930	5.0
143.03510	7.0
159.75671	3.5
173.00862	4.7
174.01648	12.2
199.65762	3.6
203.05453	5.7
207.13710	4.1
211.37939	4.1
248.63831	3.8
360.61969	4.2
368.69183	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	600.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21347	3.1
58.02983	8.7
61.65137	3.5
61.98835	24.5
62.78532	3.9
64.16730	3.9
64.95231	6.1
70.52728	9.4
73.01176	20.2
74.02465	22.5
86.02481	11.4
99.05626	18.7
104.98384	10.0
128.03551	57.9
135.05646	6.9
141.06676	5.2
143.04633	79.7
146.04536	5.4
160.00729	10.8
167.04597	6.6
171.07729	7.7
177.03372	5.9
179.04570	13.8
185.05589	5.8
197.05684	5.4
199.07341	3.3
210.08830	16.2
210.85600	4.4
217.44505	4.2
248.66373	4.2
254.07797	40.1
267.88733	3.7
270.78802	4.2
272.08841	60.1
288.06534	17.2
306.07657	100.0
307.07925	6.4
339.41724	3.7
367.79044	4.3
377.02893	3.8
573.08246	4.3
586.29517	4.2
600.13568	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	597.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98829	18.9
69.28659	10.1
69.29065	39.8
71.01378	77.4
72.90339	5.4
72.99319	5.5
84.25263	5.0
85.02959	21.0
87.00864	8.1
88.98829	7.3
89.02448	90.4
95.01410	5.7
98.20667	8.4
101.02442	34.0
106.37137	4.9
113.02444	35.7
119.03524	26.3
143.03564	6.6
161.04590	11.9
173.55409	5.1
179.05623	40.6
184.47389	5.5
191.70992	5.3
241.01797	4.8
255.03003	6.2
284.03250	7.0
285.03995	5.9
297.11426	10.9
300.02811	6.5
302.03497	7.2
317.25012	5.4
327.12418	21.7
483.48187	5.5
539.46765	6.3
597.14294	6.3
597.24719	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	597.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.98836	4.7
69.13864	0.4
69.25900	2.2
69.26329	1.3
71.01374	1.1
78.78674	0.3
81.03459	10.2
83.05028	34.4
84.05365	0.4
84.38782	0.3
89.02449	1.0
98.20578	0.7
100.07694	4.0
101.02401	0.6
106.87055	0.3
108.04565	0.4
113.02464	0.5
126.05598	0.8
127.04021	0.4
131.55435	0.3
171.37639	0.3
172.22775	0.4
199.13408	0.5
199.18140	7.4
224.17667	0.6
225.16069	7.8
225.18083	0.3
226.16371	0.4
243.17108	16.9
244.17516	0.9
255.03081	0.6
265.07211	0.5
269.15015	1.1
285.03741	0.6
286.04395	0.4
294.63889	0.4
309.21796	1.0
342.95978	0.3
353.20844	6.2
354.20801	0.6
399.52966	0.3
433.31738	0.4
451.32742	1.9
469.33945	12.7
470.34186	1.7
490.10294	0.5
495.32358	0.6
579.37335	3.3
597.38678	100.0
598.38953	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	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	8.3
61.98823	2.4
64.55081	0.5
66.03476	1.0
70.01493	2.8
70.02969	1.3
70.77991	0.6
71.01357	1.0
72.00899	1.6
74.02069	1.0
74.02473	16.9
81.04597	1.3
82.02975	1.9
86.02476	8.0
86.04642	0.6
86.06112	1.1
86.99086	1.8
87.05619	3.8
90.00170	1.5
96.04542	0.7
97.04065	1.9
99.05646	15.1
101.02441	0.7
101.07217	2.8
102.05613	2.6
107.06113	0.8
109.04067	2.2
109.07667	0.8
111.05615	1.3
112.04033	1.2
113.03584	0.9
116.01751	1.4
120.01279	0.9
123.05640	1.1
124.04064	1.2
124.89270	0.5
125.03543	2.2
126.01958	0.8
127.05105	2.7
128.03537	42.8
128.71652	0.7
129.03854	1.1
130.89537	0.6
131.04578	0.7
135.05634	4.6
137.07173	1.2
141.06694	3.4
143.04620	55.7
144.04979	1.0
145.06187	1.8
146.04597	6.0
153.06708	3.4
160.00729	15.3
160.02063	0.8
166.09859	2.4
167.04558	4.0
167.08206	2.1
167.84798	0.8
170.03362	0.8
171.04095	1.3
171.07809	0.6
177.03371	6.3
179.04626	12.3
180.05052	0.7
181.06152	1.7
183.62231	0.5
184.11006	0.6
185.05666	1.8
192.07785	0.8
197.05670	2.2
210.08841	11.5
228.09875	0.6
242.07848	1.4
254.07838	19.2
254.10516	1.0
272.08850	34.8
273.09146	1.1
288.06567	10.6
293.45255	0.7
306.07642	100.0
307.07785	3.6
339.94373	0.6
433.39484	0.6
519.45435	0.6
598.27899	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
59.01386	1.9
63.04398	1.1
63.04728	1.2
64.38779	1.3
69.86401	1.1
71.01382	7.8
73.02937	4.1
81.03461	2.6
83.01366	2.8
85.02951	2.7
87.00874	27.4
93.03460	3.5
95.01459	1.2
97.02955	1.5
99.00889	4.2
100.01668	2.6
101.02434	3.7
105.62598	1.3
106.72961	1.2
109.02954	2.5
111.00890	12.5
112.98814	4.1
121.02967	5.0
122.03732	11.6
123.00890	5.6
123.04514	8.8
127.03982	1.5
133.03009	2.0
135.04539	3.1
137.02426	1.6
138.03233	1.2
142.99843	4.6
145.01357	1.3
147.04437	1.3
149.02431	26.0
150.03230	81.2
151.00383	2.2
151.03969	6.4
152.01045	1.4
161.02428	4.3
163.03992	2.1
164.04796	10.9
165.05565	92.9
166.02695	4.4
166.05919	3.4
167.18639	1.2
173.00952	7.4
173.02267	1.8
173.47859	1.2
174.01704	3.5
175.04022	3.8
176.04762	3.8
177.01956	1.3
178.06371	3.0
179.03481	4.4
179.07137	6.9
180.04321	6.5
181.05049	4.6
188.04752	1.4
189.05635	1.3
191.03484	4.6
191.07104	3.3
192.04250	1.6
193.04939	2.0
193.08693	3.3
194.05806	6.6
195.06625	43.4
196.06944	1.8
203.03543	2.2
205.05055	2.9
206.05867	4.5
209.08171	7.1
218.05917	1.8
219.03021	2.0
219.06323	1.3
220.03568	1.8
221.08174	7.1
229.08687	3.8
234.05275	2.1
237.07661	1.7
247.02484	5.0
249.03918	3.0
249.07643	3.7
255.06711	5.7
261.03970	3.1
262.04797	6.0
263.05579	1.2
264.06409	5.8
265.07190	4.4
273.07700	4.3
276.06409	4.3
277.07153	11.1
295.08353	1.7
306.56229	1.2
337.09277	35.7
338.09717	2.2
369.13281	9.8
413.12479	5.6
425.12137	2.2
443.13339	2.9
461.14511	30.8
462.15067	2.7
473.14590	4.2
485.14240	2.6
487.16400	1.4
491.15631	2.0
503.15814	2.2
521.16864	3.4
531.15082	2.9
533.16656	7.7
579.17340	22.0
580.18048	1.9
597.18231	100.0
598.18665	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	597.1826
Annotation	Phloretin 3',5'-Di-C-glucoside
Peak:m/z	Relative Intensity
52.42196	0.6
58.21080	0.6
59.01381	9.3
62.48687	0.7
70.95922	1.5
70.96270	0.6
71.01380	8.9
73.02947	2.0
79.05537	1.2
81.02977	1.1
81.03456	22.1
81.03922	1.4
83.01391	0.9
83.83904	0.6
85.02953	2.0
87.00876	1.0
89.02450	5.1
93.03458	2.8
95.01367	1.2
97.02925	1.1
97.27668	0.7
101.02435	4.9
102.88969	0.7
105.03445	1.0
106.04248	2.1
107.01369	1.5
108.02187	0.7
109.02955	2.1
113.02444	2.0
118.49976	0.6
119.03499	1.7
122.03770	1.5
123.04524	63.4
124.04826	1.5
125.02463	2.1
137.02397	1.3
149.02440	8.2
149.21629	0.8
153.01936	0.8
161.04556	0.7
185.06044	2.5
211.07689	1.0
217.56183	0.6
227.07184	3.6
229.08675	41.1
230.08983	1.9
255.06630	27.1
256.06909	1.5
273.07678	29.8
274.08020	1.5
281.19110	0.6
404.17529	0.6
444.50168	0.7
597.18225	100.0
598.18591	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	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04589	0.3
53.90395	0.3
57.03454	0.4
59.01379	5.5
59.55371	0.3
61.98829	2.8
64.49625	0.3
65.00362	0.5
65.03969	2.8
67.01893	1.4
67.22208	0.3
69.03466	0.3
71.01388	5.2
71.60915	0.3
72.99328	0.6
73.02953	1.0
74.95142	0.3
75.00862	0.3
77.88062	0.3
79.57788	0.3
81.03450	0.8
83.01414	1.0
85.02960	1.8
87.00872	0.5
88.98814	0.4
89.02442	4.9
91.01910	2.6
93.01688	0.3
93.03455	0.5
95.01432	0.4
95.05038	0.9
97.02940	1.1
99.00906	0.5
99.04508	0.6
99.11446	0.3
101.02450	3.8
109.02958	26.9
110.03288	0.5
113.02438	3.2
116.67535	0.3
118.35056	0.3
119.03516	2.4
119.05054	0.9
121.02939	0.7
123.04534	1.5
125.02465	3.4
128.03467	0.4
131.03491	0.5
135.00890	12.4
135.04477	0.3
136.01208	0.3
137.02454	0.5
137.06064	0.9
143.03514	0.9
150.03220	1.0
153.01942	100.0
154.02248	3.0
161.04565	1.0
163.04182	0.4
165.01956	1.6
165.05540	1.1
165.20366	0.4
167.03506	4.4
169.65488	0.3
172.50104	0.3
174.01749	0.5
179.03542	0.8
179.05614	1.3
180.04221	0.9
189.05548	0.4
195.06631	1.0
209.04556	2.1
221.04610	0.7
221.06677	1.4
222.94214	0.3
225.07741	0.9
258.15234	0.3
263.07877	0.4
273.07764	0.5
300.02686	0.4
315.08780	10.4
316.09103	0.8
323.09851	1.9
333.30255	0.4
345.09863	2.7
357.09372	0.4
387.14798	0.8
407.42499	0.3
459.11557	5.2
477.12491	7.1
478.13275	0.7
597.18677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85289	0.3
57.37350	0.2
59.01376	1.1
61.98831	100.0
71.01398	0.6
75.83276	0.2
81.03458	0.9
83.05024	2.5
85.02928	0.3
89.02443	0.5
99.92576	0.5
100.07684	0.3
101.02464	0.7
113.02446	0.7
115.92069	0.5
116.92850	0.3
146.60300	0.3
161.04538	0.3
165.05504	0.3
179.05670	0.3
193.05115	0.5
199.18187	0.5
225.16042	0.6
243.17119	1.3
331.02991	0.4
353.21127	0.4
361.14743	0.3
469.34210	0.5
596.30530	0.4
596.40228	9.1
597.40485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98323	1.4
57.03439	2.7
59.01376	13.2
61.98832	13.1
67.01897	2.5
68.03507	1.2
69.46181	10.7
71.01384	11.2
73.02935	6.0
78.95908	2.1
81.03468	7.9
83.01391	3.7
85.02940	3.5
87.00855	1.8
89.02427	3.0
93.03436	4.0
95.01377	2.9
95.05026	6.0
97.02959	4.7
99.04504	3.4
101.02449	7.5
104.39539	1.4
108.02214	1.5
109.02908	2.2
113.02438	5.0
115.00397	2.9
118.48293	1.5
119.03468	1.3
119.05036	6.6
121.02937	3.7
122.03761	1.4
123.00843	1.4
123.04528	14.4
125.02439	17.9
133.01369	1.6
134.03745	1.6
135.04535	3.2
137.02414	2.5
137.04405	1.5
137.06131	7.1
139.04025	2.2
143.03494	2.2
149.02408	3.2
150.03188	5.0
151.00299	1.7
153.01868	1.7
161.04527	3.5
165.01959	1.5
165.05557	12.2
167.03503	42.3
174.01813	1.5
175.02499	2.0
175.03929	1.8
177.05577	1.6
179.03471	7.1
179.05669	1.8
181.05025	1.8
189.05524	3.6
193.05006	4.8
195.06534	2.4
197.04530	3.1
209.04562	15.3
221.04475	2.4
236.13507	1.5
255.02960	1.6
273.07626	8.9
278.93503	1.4
285.07739	2.6
315.08740	100.0
316.08954	8.3
345.09753	27.1
346.09930	2.6
357.09598	1.9
377.92746	1.5
435.12863	1.8
579.17926	1.8
597.17505	5.5
597.26318	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	595.2889
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.85746	0.7
53.71424	0.7
57.15524	0.7
63.71717	0.8
74.38020	0.7
78.95906	60.9
83.89302	0.7
87.36739	0.7
89.29770	0.7
96.96967	12.2
101.28451	0.7
105.02029	0.7
108.33118	0.7
152.99593	98.5
153.99930	1.0
171.00641	3.3
171.02403	0.6
223.00139	11.6
229.59801	0.9
240.98724	1.4
241.01187	22.6
259.02231	1.4
276.30722	0.8
279.23279	67.4
280.23676	6.1
282.15549	0.7
315.04922	17.2
595.28900	100.0
596.29193	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	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.15313	0.8
53.00742	0.7
59.01367	1.5
61.98830	3.3
72.66657	0.9
78.95907	81.0
96.96977	16.1
127.18853	0.9
135.14319	0.8
150.98038	2.7
152.99593	87.4
171.00700	1.5
222.26164	0.9
223.00108	2.8
241.01193	32.2
242.01527	0.8
279.23297	67.0
280.23727	5.1
315.04828	11.2
415.22656	6.5
433.23447	9.7
595.28900	100.0
596.29053	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	596.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90169	0.2
57.03463	0.3
57.47715	0.2
59.01386	1.7
61.98830	100.0
63.68102	0.3
71.01389	0.9
71.60862	0.3
71.61246	0.3
87.00919	0.3
89.02458	0.4
91.57674	0.2
101.02445	0.6
113.02474	0.3
128.03593	0.3
155.08568	0.2
161.04579	0.4
167.81781	0.2
175.52872	0.3
216.82173	0.3
272.20941	0.3
504.25073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53751	0.2
58.30621	0.2
59.01373	0.2
61.98831	100.0
69.60686	1.2
69.72128	0.2
83.05039	0.7
85.02940	0.2
127.79325	0.2
225.15895	0.2
243.17233	0.4
358.07825	0.2
469.33923	0.4
477.21970	0.3
597.38544	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	596.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.98832	100.0
62.98550	0.3
63.99262	0.2
67.01918	0.2
70.89864	0.3
71.01383	0.8
73.02969	0.3
75.00875	0.4
85.02957	0.4
89.02441	0.4
101.02490	0.3
109.02970	0.9
134.98213	0.2
135.00908	0.9
143.03555	0.3
153.01945	3.2
158.43971	0.2
174.01669	0.3
201.43288	0.2
243.38739	0.2
268.88403	0.2
367.33441	0.2
459.11426	0.7
477.12494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75019	0.2
59.01381	2.1
61.98831	100.0
69.38430	1.9
71.01385	1.2
72.99323	0.3
85.02950	0.4
89.02460	0.8
101.02460	0.6
113.02481	0.5
119.03553	0.5
121.02965	2.6
122.03319	0.6
123.04546	0.3
143.04672	0.3
149.02591	0.3
185.58481	0.2
189.54442	0.3
209.04530	2.3
210.04948	1.1
229.08792	0.3
232.71008	0.3
255.06735	0.4
272.08966	0.3
273.07822	0.3
416.20352	0.3
596.23907	0.4
597.18512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74017	0.2
56.55442	0.2
59.01377	0.8
61.38700	0.1
61.98830	100.0
69.30104	1.5
71.01386	0.5
71.35316	0.2
74.02493	0.2
75.37138	0.2
78.95901	0.2
85.02955	0.2
96.96016	0.4
98.20665	0.3
101.02454	0.3
104.98403	0.6
105.01955	0.2
113.02448	0.4
128.03552	0.9
138.96962	0.2
142.99884	0.3
143.04604	0.9
169.37918	0.2
173.01028	0.2
174.01740	0.2
215.74710	0.2
272.08923	0.5
277.03961	0.2
278.04205	0.2
279.00183	0.2
304.06171	0.2
306.07626	1.6
378.07779	0.2
385.80338	0.2
594.24701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99981	1.7
57.03450	51.6
57.09592	2.4
59.01094	4.0
59.01380	61.5
60.39955	2.5
61.26719	2.0
61.98831	100.0
63.99259	3.0
69.03471	1.8
69.49978	12.3
71.01392	12.9
71.73289	2.4
73.02953	4.3
78.25717	2.2
83.01389	2.9
85.02953	5.8
89.02444	6.9
98.20597	4.2
99.00797	2.1
99.04519	66.3
99.05165	3.9
101.02453	19.9
104.73921	2.2
110.04780	2.2
113.02483	4.5
119.03481	2.2
125.02450	37.2
129.47012	2.1
133.77426	2.2
143.03470	4.9
159.03098	2.1
161.04561	3.9
179.05620	2.4
182.52994	2.2
189.12930	2.9
207.13889	2.1
212.65443	2.4
228.03830	4.2
255.02892	3.6
256.03339	3.4
284.03293	5.1
285.03531	5.3
301.03329	3.5
387.20389	3.6
429.21310	9.8
464.09238	3.3
531.24329	9.7
550.23083	2.5
552.26599	3.5
594.15015	12.6
595.15851	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1675
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.54318	1.1
57.03454	2.1
59.01386	8.1
61.36197	1.2
61.98803	2.5
68.99799	1.6
71.01391	3.8
79.01884	2.2
81.03458	2.5
83.01368	4.1
85.02946	3.2
85.03519	1.2
89.02428	3.7
93.03448	7.4
95.01408	3.5
97.02940	6.2
98.20709	3.3
99.04537	1.9
101.02438	3.1
107.01388	6.2
109.02962	3.8
111.00871	1.5
111.04520	1.7
113.02441	4.3
115.73080	1.3
117.03434	2.5
119.05032	48.2
119.43478	1.4
120.05360	1.8
121.02927	4.0
123.00890	2.0
123.04504	4.8
125.02434	11.9
128.03506	2.4
135.04500	3.2
137.02419	5.4
139.03984	5.5
143.04988	5.7
145.02957	7.3
147.04501	3.6
149.02411	5.9
149.06024	1.6
150.03171	1.4
151.00333	5.5
151.03923	3.2
154.28716	1.4
161.02444	2.1
161.06062	3.3
163.00313	3.9
163.04022	3.3
165.01930	6.5
165.05623	1.7
167.03534	11.6
169.77702	1.3
175.03931	1.7
177.01900	5.3
178.02666	1.5
179.03474	3.1
187.03999	6.7
191.03481	4.5
193.01434	14.1
193.05025	2.0
197.04491	4.0
199.07645	1.7
205.01462	8.3
207.02963	4.6
209.04530	4.7
209.06264	1.7
219.02940	5.2
221.04430	2.3
223.02464	2.0
227.07339	6.9
229.66373	1.6
235.02461	16.8
239.05556	2.6
249.03958	3.1
261.03964	2.3
265.03445	7.9
271.06097	6.1
297.07571	1.5
313.07178	19.6
314.07428	1.7
325.07062	9.3
325.88760	1.7
339.08560	1.7
343.08179	8.4
343.33981	1.4
355.08215	95.0
356.08606	8.1
367.08157	4.3
385.09302	77.7
386.09723	6.0
397.09216	4.5
415.10342	22.4
432.65002	1.4
457.11380	8.5
469.11432	2.0
475.12405	40.8
476.12766	5.2
487.12347	5.3
505.13556	12.9
518.30219	1.7
577.15759	5.6
586.33160	1.9
595.16644	100.0
596.17047	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	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91992	0.3
61.98831	100.0
65.83311	0.3
66.58158	0.3
68.78678	0.3
69.30024	3.4
73.12846	0.3
78.24014	0.4
80.96503	0.7
98.20637	0.6
128.03586	0.5
129.72475	0.3
148.80396	0.4
199.13412	0.4
395.28174	1.3
512.70917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24144	0.1
59.01393	0.2
61.98842	1.1
61.99091	0.2
67.59631	0.2
70.12654	0.1
70.12988	0.7
77.03981	0.3
80.96514	0.3
91.01933	0.3
95.60568	0.2
110.27074	0.1
120.02192	0.7
121.02958	100.0
122.03291	2.8
136.01674	0.4
165.01921	5.1
180.01891	0.1
180.05807	0.7
181.05026	0.3
181.06561	2.5
197.06122	1.7
207.04512	0.7
207.07918	0.2
209.04546	58.1
210.04900	2.0
216.30278	0.2
223.03967	0.5
225.05579	1.9
239.37148	0.2
243.11662	0.2
251.07210	0.2
256.08932	0.2
257.09683	0.6
301.08621	0.3
311.75272	0.2
313.07159	1.5
314.07333	0.2
357.06165	1.3
373.10501	0.2
383.07617	1.2
384.08054	0.2
401.08560	0.4
417.09598	0.9
435.12234	0.2
436.35040	0.2
505.11407	3.1
506.11475	0.3
549.10345	7.4
550.10571	0.7
593.12988	9.6
593.26733	0.3
594.13348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
62.20129	0.4
65.00331	0.5
83.01374	0.5
85.02947	0.7
89.02456	0.8
98.19817	1.1
101.02386	0.8
107.01393	1.6
113.02433	0.6
132.02127	1.3
135.00859	1.1
151.00357	3.0
152.01166	0.4
163.00421	0.8
176.45316	0.5
178.99883	2.2
179.05537	0.7
183.04497	1.3
185.06087	0.8
195.04738	0.4
199.04065	0.7
211.03951	2.3
227.03500	42.5
228.03883	2.0
229.05034	1.8
239.03445	0.9
255.02971	78.2
256.03561	7.5
257.04401	1.2
283.02457	1.3
284.03253	100.0
285.03885	16.9
327.05170	0.5
429.08246	2.1
473.11020	0.8
579.39844	0.5
593.15094	74.3
594.15430	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98817	1.8
62.78897	0.7
70.18554	3.0
70.56983	0.6
71.01350	0.8
73.26154	0.8
78.95904	83.0
89.45797	0.8
90.99299	0.7
96.96960	16.1
97.75671	0.7
121.02975	1.1
150.97964	1.1
152.99585	71.9
163.84256	0.8
171.00581	1.6
188.55165	0.7
196.51122	0.8
207.41646	0.8
223.00134	2.3
241.01173	32.5
253.98328	0.8
277.21722	51.4
278.22079	3.0
296.76944	0.9
315.04877	11.1
333.05853	1.0
413.20993	7.1
414.21597	1.0
431.21936	3.4
456.84064	0.8
585.86530	0.8
593.27295	100.0
594.27631	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
71.04505	0.6
71.32579	1.5
78.95902	67.2
81.34464	0.7
96.96962	11.8
134.16109	0.6
150.98029	0.9
152.99588	100.0
153.99925	1.5
171.00629	2.3
223.00110	10.8
240.98691	1.2
241.01176	25.1
242.01534	0.9
259.02216	1.9
277.21716	43.9
278.21930	4.6
315.04868	19.1
316.05161	0.9
329.68216	0.7
333.05899	1.4
403.67288	0.7
546.64404	0.8
580.24377	0.7
593.27307	81.9
594.27606	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	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98935	1.7
57.03441	3.9
58.00577	2.7
59.01381	100.0
61.98831	19.8
66.28693	2.1
68.95635	2.1
71.01379	58.3
71.37285	2.5
71.37634	3.0
72.99315	8.3
73.02937	5.0
74.02491	3.2
79.95729	5.5
83.01398	5.0
85.02940	12.7
87.00864	7.1
89.02438	64.3
95.01378	3.7
96.96046	2.7
99.00910	2.8
99.04497	9.5
101.02444	35.1
102.02805	2.4
102.84665	2.2
104.52476	2.2
113.02442	26.7
116.92899	3.1
119.03498	24.3
121.02959	2.2
125.02428	6.6
127.05010	2.0
128.03525	4.8
131.03496	4.0
133.02943	3.6
134.03712	7.5
137.02434	2.6
143.03494	8.4
143.04564	2.4
145.88797	2.2
149.04550	2.2
149.06035	3.5
150.03134	2.2
161.04567	13.6
165.05548	2.3
167.03337	2.5
171.32883	2.5
178.02618	5.6
179.05615	22.3
193.05049	15.9
195.06612	3.9
272.09024	2.8
285.04068	2.7
298.04727	3.0
300.84192	2.0
327.04980	2.6
341.10199	4.9
388.78696	2.1
473.10577	3.5
533.25867	10.8
551.26733	5.6
555.34247	2.6
557.24774	2.6
593.14313	9.7
593.27209	9.5
609.91760	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	593.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51612	2.8
55.01883	4.6
57.03434	11.4
58.00598	3.2
59.01096	4.3
59.01385	86.6
61.98828	47.6
64.74855	2.8
69.35777	31.6
71.01385	73.6
72.99299	4.9
73.02950	20.3
73.04114	3.3
78.81947	3.3
83.01392	13.2
85.02950	26.7
87.00883	7.1
89.02444	50.8
90.91393	3.2
95.01383	7.3
97.02950	5.0
99.00864	7.3
101.02442	78.4
112.12186	3.2
113.02457	34.7
114.02784	4.2
119.03518	18.4
121.42467	3.3
125.02406	6.1
134.03728	5.4
143.03499	16.6
149.04523	5.6
151.00398	4.5
157.43179	4.1
159.02945	3.8
161.04587	35.3
179.05586	31.3
180.06290	3.5
193.05095	7.8
203.91417	3.3
209.56277	3.4
221.06621	4.7
227.03329	4.4
255.02972	13.5
263.07715	8.1
271.02481	12.9
284.03174	10.0
300.02725	13.5
301.03317	6.5
350.39059	3.5
371.20605	9.6
378.19516	3.8
395.92719	3.6
405.17719	4.3
463.08685	21.6
533.26056	100.0
534.26178	12.9
591.12695	4.4
593.15179	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	591.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76346	2.0
53.12469	2.0
54.94518	2.0
55.01866	2.9
55.87025	2.1
57.03435	6.6
58.94894	2.5
59.01382	33.3
61.98835	100.0
69.30157	20.8
71.01376	24.0
73.01162	4.3
73.02969	10.4
81.98415	1.9
83.01386	4.7
85.02931	7.7
85.20322	2.6
87.00871	3.7
88.09777	2.2
88.98792	7.1
89.02423	12.4
95.01384	4.5
97.02969	2.7
98.19941	5.8
99.00843	3.2
99.04502	7.3
101.02451	23.7
113.02436	8.7
116.92854	5.2
119.03529	4.7
125.02426	7.5
136.97362	10.1
149.06052	2.3
161.04549	19.8
179.03453	2.5
179.05609	12.1
193.05019	2.1
204.10135	2.5
207.13913	3.8
221.06680	4.6
263.07697	2.5
284.03305	2.7
285.03882	2.7
531.24103	2.4
591.14008	2.7
591.25000	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	592.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50068	0.5
57.03466	0.8
59.01380	2.4
61.67418	0.5
61.98832	100.0
70.44214	1.8
71.01393	1.3
73.02956	0.8
74.16959	0.5
76.05563	0.5
85.02992	0.7
86.86187	0.6
96.96037	0.8
97.12920	0.5
99.04542	0.5
101.02419	1.2
118.38083	0.5
125.02496	0.8
128.03578	0.8
164.14156	0.5
169.10983	0.5
179.17755	0.5
192.95828	0.5
227.03590	0.6
255.03116	0.9
272.08994	1.4
284.03253	0.9
285.04266	1.2
306.07742	1.0
429.08112	0.5
593.13025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01381	4.7
60.01703	0.4
61.98832	100.0
62.53431	0.3
71.01382	3.7
71.60648	0.3
73.02975	0.5
75.00875	0.3
83.01368	0.3
85.02924	1.5
85.83590	0.3
87.00895	0.4
89.02455	1.5
95.01414	0.5
96.96005	0.4
97.02950	0.5
99.00871	0.4
99.04546	0.9
99.92608	0.6
101.02455	2.4
102.02822	0.3
113.02475	1.3
114.02811	0.3
119.03512	0.6
125.02451	1.0
128.03578	0.6
134.03722	0.6
135.83507	0.3
142.87952	0.3
143.03499	0.3
148.69716	0.3
161.04585	0.5
174.01694	0.5
175.02473	0.4
179.05656	0.5
186.39977	0.3
193.05083	0.6
196.68840	0.3
202.24126	0.4
225.15091	0.7
226.15430	0.3
227.03545	0.8
255.03006	1.4
256.03485	0.5
271.02600	0.4
276.85712	0.4
284.03183	2.3
285.03983	1.5
286.04572	0.4
300.02707	0.7
301.03647	0.8
370.18933	0.3
388.20663	0.4
463.08582	1.7
470.12656	0.8
506.10461	0.9
512.13959	0.3
516.75055	0.3
532.24890	0.4
550.25940	1.4
551.26672	0.4
592.26880	0.5
593.15723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98832	100.0
71.50135	0.7
78.95916	0.4
79.77993	0.4
80.96515	1.1
94.98090	0.5
96.52670	0.4
96.96019	0.5
121.02959	2.8
165.01958	2.6
203.11058	0.4
207.69493	0.5
301.16440	0.5
309.20844	1.3
395.27951	4.1
396.28757	0.5
592.24902	1.0
592.33429	1.2
593.26660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
57.03451	4.3
58.00606	1.8
59.01381	100.0
60.01722	1.1
61.98848	1.1
65.72737	0.4
69.03439	0.7
69.50834	3.6
71.01384	61.9
71.05070	0.4
72.99298	3.6
73.02949	11.7
74.41343	0.4
75.00879	1.2
77.21845	0.4
78.95909	0.7
83.01389	5.1
85.02956	20.8
85.09605	0.5
87.00871	6.2
89.02447	39.5
90.02788	0.6
95.01394	7.1
96.96033	1.1
96.96939	0.5
97.02939	0.8
98.19868	0.9
99.00884	2.5
99.04515	3.2
101.02446	32.1
102.02782	0.5
104.50054	0.5
111.00895	0.8
112.01660	0.9
113.02452	44.5
114.02751	1.0
115.04016	0.6
119.03508	15.1
124.01614	1.6
125.02431	4.4
128.03572	0.5
131.03517	3.1
137.09686	1.9
139.00323	0.5
139.03902	0.4
143.03514	6.6
148.52213	0.5
149.04529	1.7
152.08417	0.6
159.02951	1.3
161.04559	13.5
163.06085	0.6
171.07646	0.5
179.04152	0.5
179.05620	9.2
189.12843	0.8
207.13852	1.0
221.06587	0.8
223.13297	0.6
225.14990	2.5
230.24440	0.6
255.02861	0.5
262.30991	0.5
299.02402	0.5
369.19095	9.4
369.23373	0.8
370.18796	0.6
387.20267	9.6
388.20065	0.6
429.20789	1.8
433.09491	0.5
531.24457	37.7
532.24872	4.1
549.25525	28.9
550.25989	3.1
591.27045	5.9
592.25891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87403	1.5
54.22016	1.6
59.01370	2.9
59.47770	2.1
61.98830	23.5
62.85530	1.8
69.31640	3.6
69.32031	15.7
75.00885	2.1
78.95908	31.0
87.38422	1.8
91.53340	1.7
103.72853	1.7
147.33411	1.8
152.99597	39.2
221.40741	1.8
227.03226	4.0
273.12250	1.7
277.21710	89.0
278.22055	5.3
383.85342	1.8
505.25714	100.0
506.26028	13.1
519.58356	2.0
590.23590	8.8
608.18390	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	591.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15206	0.2
54.82991	0.2
55.01878	2.0
56.55132	0.2
57.03454	1.6
58.00595	2.4
59.01382	50.2
61.98829	0.3
69.03459	1.8
69.62943	1.8
71.01385	48.4
71.05015	0.5
72.01723	0.7
72.99311	2.7
73.02950	24.1
74.03273	0.3
75.00880	1.8
81.03474	0.7
83.01387	4.3
85.02953	18.8
86.00103	0.7
86.03309	0.5
87.00878	8.5
87.04519	2.5
89.02448	30.2
95.01398	3.5
97.02947	2.6
98.20670	0.3
99.00874	2.9
99.04539	1.6
101.02447	52.6
102.02782	1.0
103.04015	4.2
107.03485	0.4
111.00930	0.5
113.02455	16.8
114.02760	0.4
115.04004	4.2
119.03503	13.0
125.02444	3.7
127.04020	2.8
128.03525	0.3
129.01944	1.0
131.03510	7.9
131.04449	0.5
143.03506	11.6
144.03818	0.3
145.05069	23.3
146.05403	0.6
149.04565	1.2
159.03012	2.0
161.04562	16.1
162.04865	0.3
163.06123	12.8
179.05612	28.0
180.05962	0.6
205.07170	7.6
206.07536	0.3
221.06656	4.9
235.08281	0.4
245.06712	0.4
247.08223	10.9
248.08652	0.6
263.07733	0.9
265.09268	2.9
289.09253	0.4
307.10336	1.2
321.17609	0.3
325.11444	2.1
367.12436	100.0
368.12784	5.5
369.18845	0.3
387.20193	0.6
397.13419	0.9
427.14471	3.0
429.17566	2.5
432.56760	0.3
439.28778	0.3
531.24231	0.4
549.25610	0.4
577.15332	0.3
591.13385	0.5
591.22839	9.1
592.22980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.9
57.03451	11.6
58.00593	2.9
59.01382	100.0
60.01720	1.0
61.98826	3.6
62.76265	1.0
66.20502	0.8
69.03453	4.8
69.90872	1.8
69.91268	2.2
71.01385	67.1
71.05019	1.0
72.99313	5.0
73.02946	14.9
75.00880	14.5
78.95882	1.6
81.03466	1.8
83.01386	12.3
83.05036	1.1
85.02956	44.1
87.00876	13.5
87.04508	2.9
89.02447	40.2
95.01403	7.1
95.05006	0.9
96.96003	4.9
96.96976	1.5
97.02955	9.1
99.00887	5.8
99.04523	5.2
101.02445	55.5
102.02789	1.2
107.04967	0.9
109.02931	1.4
111.00887	1.1
113.01688	1.8
113.02454	32.8
113.22179	0.9
115.03986	3.3
119.03497	16.4
119.04960	1.0
123.08167	1.6
124.01682	6.0
125.02451	31.5
131.03491	3.0
135.04468	0.9
137.09737	4.2
143.03499	22.0
144.03853	1.5
149.04546	1.8
149.09738	1.4
151.11244	1.6
152.08475	1.6
153.12802	1.8
155.03439	0.9
159.02956	2.5
161.04562	22.8
161.13426	0.8
162.04774	0.9
162.14375	0.8
163.11328	2.4
167.03473	1.4
179.05605	14.3
179.14461	0.8
181.12346	1.8
189.12863	3.8
195.13872	4.2
197.15479	4.9
203.05553	1.2
205.12303	3.0
207.13843	6.7
218.49222	0.8
221.06659	2.3
223.13432	4.3
225.14961	66.4
226.15320	3.1
235.08189	3.1
246.62839	1.0
249.11305	1.9
255.03001	1.8
263.07718	1.9
267.12399	3.0
284.03143	1.4
285.03906	1.3
333.17001	3.5
369.19107	7.0
387.20233	26.8
388.20642	2.8
413.97888	1.0
429.16394	1.2
429.22025	4.5
485.36234	1.0
497.69275	1.0
505.09787	1.0
531.24463	30.7
532.24652	3.9
549.25549	70.3
550.25903	7.5
591.13641	1.9
591.26471	6.5
592.27478	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	590.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98035	0.8
58.02979	4.7
59.01363	1.1
61.98825	12.9
63.96238	1.0
71.01385	0.8
72.00915	1.4
73.01170	20.1
74.02485	10.1
86.02480	6.6
87.05622	2.9
90.00201	0.8
97.04087	0.9
98.19816	1.6
99.05637	8.4
101.07192	1.1
104.98367	3.5
109.04082	0.9
111.05627	1.0
112.04073	1.3
114.00177	1.2
120.63824	0.7
125.03569	1.3
127.05161	2.1
128.03542	36.1
129.03862	1.2
135.05630	1.7
137.00978	0.8
141.06686	2.5
143.04623	40.3
145.06145	3.2
146.04608	4.4
153.06685	2.1
160.00742	8.6
166.09810	2.8
167.04576	2.5
167.08163	1.6
168.81123	0.9
170.03035	0.8
171.04155	1.3
171.07753	5.0
177.03362	3.3
179.04610	10.3
181.06230	1.7
185.05672	3.2
189.30011	0.9
197.05655	1.4
199.07164	2.3
210.08852	10.9
217.08304	1.4
228.09805	1.2
229.61372	1.1
244.09517	1.2
254.07797	15.7
272.08862	37.7
273.09213	1.5
286.04941	1.0
288.06628	8.7
304.06052	6.8
305.08588	3.5
306.07648	100.0
307.07889	5.4
346.10623	1.6
378.08002	12.8
380.09567	1.7
452.09885	5.5
526.11847	6.8
598.95496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.4
58.02967	4.0
59.01386	6.1
61.98829	13.8
63.96219	1.0
70.16179	0.9
71.01392	2.7
71.61023	1.1
71.61458	1.3
72.00922	1.5
73.01192	6.4
74.02472	10.3
78.95864	1.0
80.17808	0.9
82.02995	1.0
83.01404	1.2
85.02956	1.9
86.02485	6.2
87.00880	2.1
87.05634	2.0
88.04032	1.3
88.98810	1.2
94.50479	0.9
95.62811	0.9
99.05634	7.0
100.00422	1.7
101.02381	1.6
104.98369	4.5
115.35236	1.1
119.03593	0.9
122.03886	0.9
125.03616	1.1
127.05117	2.4
128.03543	30.5
129.03899	1.4
135.05626	2.1
141.06715	1.8
143.04623	37.3
144.04912	1.5
145.06184	3.6
146.04564	3.9
153.06664	2.8
160.00739	7.9
166.09895	2.3
167.04636	2.3
169.71579	1.0
171.07703	4.5
177.01935	2.3
177.03377	4.3
178.02272	1.0
179.04640	8.4
181.06174	1.4
185.05659	2.9
197.05624	1.5
199.07225	2.0
210.08878	10.2
254.07832	11.5
271.00269	1.1
272.08862	29.4
273.09265	2.1
288.06561	7.2
304.06076	4.3
306.07642	100.0
307.07950	5.2
346.10712	1.8
361.18570	1.6
378.08035	12.0
379.08533	1.2
403.19824	5.1
452.09686	3.5
520.18896	1.1
526.11658	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	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53662	0.3
59.80168	0.4
61.98827	1.0
69.78098	0.3
72.99311	1.9
74.31389	0.4
75.00875	100.0
76.01205	0.4
77.49799	0.3
78.95904	1.4
144.14951	0.3
152.99596	0.9
157.08643	0.5
165.71642	0.3
277.21799	1.8
293.21292	0.4
458.81012	0.4
505.25934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98819	0.5
64.65588	0.3
70.18559	0.7
70.18927	0.6
71.01383	0.5
72.99316	2.0
74.82465	0.4
75.00876	100.0
76.01204	1.0
87.00858	0.3
89.02431	0.3
90.69170	0.3
91.99800	0.3
98.19874	0.6
132.60635	0.4
152.99638	0.6
216.75998	0.3
253.26437	0.4
264.23425	0.3
272.22693	0.3
277.21698	0.9
292.00247	0.4
325.50513	0.4
505.26001	0.8
553.50714	0.4
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
55.63650	1.7
59.01138	1.8
59.01384	20.6
61.98833	14.9
67.60326	1.8
69.10978	1.6
69.63811	1.6
71.01387	4.0
71.09197	4.4
73.02946	2.9
89.02464	4.0
99.88065	1.8
101.02438	3.9
108.02253	1.7
108.49581	1.9
113.02498	2.1
119.03477	2.1
123.04495	2.2
126.81138	1.7
183.13849	2.4
235.08008	2.3
235.16980	15.6
253.09254	26.0
254.42731	2.1
275.20172	19.6
279.84055	1.8
293.21222	100.0
294.21475	8.1
388.08469	2.2
452.16690	2.2
604.11273	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	590.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03446	2.4
59.01379	4.3
59.81781	0.4
61.98831	100.0
62.99976	0.4
63.99266	0.5
68.99835	0.5
71.01383	4.8
71.33011	0.6
71.33343	0.8
72.99296	0.6
73.02934	0.8
83.01414	0.8
85.02944	2.4
87.00885	0.7
89.02446	0.9
99.00870	8.9
99.04529	1.0
101.02451	1.9
111.00881	2.8
112.98810	21.6
113.02489	0.9
115.00361	1.2
119.03500	0.6
124.98798	0.8
125.02428	0.7
129.01938	0.7
142.99866	10.4
145.01442	2.1
161.04526	0.8
173.00909	37.0
174.01691	9.4
193.05078	0.5
245.01201	4.1
247.02798	18.6
247.05374	1.0
248.03127	0.9
279.00116	3.1
310.97217	47.9
311.97430	2.5
323.05368	0.5
425.08975	0.6
426.09229	0.6
468.93790	0.5
589.25079	0.6
590.16089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40634	0.6
57.03445	1.5
59.01377	4.6
61.98833	100.0
63.99255	1.6
68.99824	0.7
69.68160	3.6
71.01391	4.6
73.02956	1.0
78.95913	0.6
83.01376	1.3
85.02948	3.1
87.00880	1.1
89.02448	1.1
94.68389	0.6
97.65923	0.6
98.20582	1.3
99.00880	9.8
99.04517	0.8
100.01122	0.5
101.02450	2.5
111.00867	3.9
112.98814	24.0
112.99592	1.2
113.02445	1.2
115.00365	1.0
118.53142	0.6
123.51942	0.7
142.99858	11.0
145.01483	1.8
152.96889	0.7
173.00914	36.1
174.01665	9.3
175.02512	1.0
191.37289	0.6
200.14064	0.6
241.14481	0.7
245.01173	4.2
247.02803	20.4
247.05386	1.0
279.00092	3.9
310.97229	54.8
311.97592	2.6
337.40744	0.8
410.16299	0.7
560.09448	0.8
590.32806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	3.6
59.01373	2.4
61.98829	7.5
63.96239	0.8
66.39407	0.6
68.99826	0.6
69.56304	2.8
69.56714	1.0
70.02966	0.6
71.01376	1.4
72.00919	1.8
73.01175	17.1
73.98312	0.6
74.02476	12.3
81.02169	1.0
82.03002	1.1
83.51672	0.5
85.02972	1.0
86.02473	6.6
86.06108	0.9
87.05634	2.2
89.02431	1.1
89.51068	0.5
96.04525	0.8
96.96013	1.7
97.04121	1.1
98.02507	0.6
99.05655	8.6
100.00378	1.4
101.02441	1.1
101.07211	1.4
102.05597	1.2
103.00500	0.6
104.98396	3.2
109.04029	1.4
111.05630	0.9
112.04015	0.9
112.98836	1.0
113.02435	0.8
114.00266	0.7
115.05100	0.7
116.01760	1.0
116.67625	0.5
123.05627	0.6
125.03583	0.8
127.05116	3.7
127.08754	1.4
128.03543	33.5
129.03842	0.6
129.99706	0.8
135.05641	1.9
135.38333	0.7
137.01028	0.8
137.07191	1.3
141.06738	1.6
143.04625	38.4
144.01218	0.6
144.04865	1.3
145.06186	4.6
146.04588	4.1
153.06696	2.0
155.08293	0.9
160.00731	9.2
166.09888	1.8
167.04617	2.7
167.08292	0.7
171.03917	0.7
171.07774	5.4
173.00974	1.2
174.01717	0.8
177.03345	3.5
179.04604	9.9
181.06129	1.5
184.10994	0.9
185.05626	2.9
187.71074	0.5
192.07690	0.6
197.05643	2.0
199.07228	2.3
210.08852	9.5
215.05173	0.6
217.08383	0.6
228.09914	1.0
242.07896	0.9
244.09286	1.3
249.05656	0.9
254.07849	13.0
255.08173	0.6
272.08878	33.3
273.09140	1.3
288.06558	7.2
304.06143	7.2
305.08591	2.0
306.07660	100.0
307.07837	4.7
346.10983	1.1
360.06796	0.9
378.08005	12.7
380.09671	1.0
436.18829	0.6
452.09940	3.0
459.42682	0.6
526.11670	5.3
549.21472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14890	1.0
51.67462	1.0
55.01878	3.8
55.90469	0.9
57.03454	6.8
58.00596	3.5
59.01382	100.0
60.01726	1.3
61.98841	5.0
69.03450	6.0
69.39787	9.5
71.01385	61.7
71.27219	1.0
72.99312	6.0
73.02949	12.9
73.60576	1.0
73.72424	1.1
75.00877	14.1
76.01236	1.0
81.03456	2.9
83.01404	11.9
83.62377	1.1
85.02957	59.4
86.00048	1.3
87.00880	20.1
87.04523	2.4
89.02450	38.8
90.02785	1.1
95.01388	7.3
97.02960	16.0
99.00883	5.5
99.04536	6.6
99.92608	1.4
101.02443	49.9
106.54743	1.1
108.30007	1.0
109.02965	2.5
111.04573	1.3
113.02456	31.9
115.04005	1.8
116.92865	4.5
119.03505	16.7
123.08195	1.6
124.01665	8.7
125.02457	32.9
125.06077	2.5
131.03482	2.2
135.08124	1.4
136.05342	1.0
137.06161	1.1
138.06873	9.5
139.04056	1.3
139.07646	4.2
143.03513	20.2
149.04565	1.8
150.03178	1.0
151.07675	10.1
152.08423	17.7
153.09230	38.6
154.09541	2.5
159.03012	1.3
161.04562	21.7
161.09721	34.2
162.10060	1.9
163.11314	3.6
164.08469	2.4
167.07082	1.3
178.10043	2.4
179.05641	12.7
179.07137	2.6
179.10768	13.0
185.04434	1.0
187.11275	1.3
189.09274	1.7
190.09985	3.6
191.10754	2.8
193.12143	0.9
203.05592	2.0
205.12341	36.5
206.12733	2.3
208.11128	1.8
221.06725	2.8
223.13396	91.8
224.13745	4.2
229.12302	1.4
235.08282	6.7
245.06621	1.9
263.07776	3.7
269.15607	1.0
271.02509	0.9
281.13947	8.8
283.85971	1.3
285.03943	1.1
305.08759	4.1
306.07513	1.2
309.17108	9.9
313.14410	4.0
323.09671	2.0
331.15561	2.1
354.30460	1.1
367.17688	9.1
385.18655	12.3
427.19522	5.3
529.22925	38.3
530.23370	4.5
547.23975	74.1
548.24469	6.6
589.24249	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	589.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
59.01382	84.4
61.98831	10.0
68.54663	1.6
69.03465	1.6
71.01388	36.8
71.38107	3.4
72.99297	2.4
73.02949	19.3
75.00878	3.5
81.03458	3.9
83.01389	7.8
85.02956	14.0
87.00874	4.2
89.02442	10.2
95.01391	3.7
97.02952	1.7
99.00858	4.5
99.04522	88.6
99.92561	3.1
101.02451	34.4
113.02462	21.9
115.92053	2.5
116.92858	8.8
119.03525	3.0
119.04998	3.7
125.02454	50.2
128.03545	5.9
129.01978	1.7
129.03864	2.1
131.03523	2.1
143.03494	6.3
145.02950	4.1
149.02483	3.0
149.04546	2.0
161.04552	7.8
164.04782	6.8
177.03455	2.1
179.07123	14.7
205.12379	3.7
223.13412	3.7
247.08089	2.5
255.02902	4.3
271.41983	1.7
284.03195	2.5
285.04144	3.1
341.12430	12.8
359.13342	1.5
383.13510	30.5
401.14386	5.3
445.20822	5.9
589.12427	2.0
589.26904	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
59.01382	20.5
61.98824	4.1
62.36761	1.8
64.55502	1.8
68.77158	1.6
68.99818	1.7
69.26914	14.1
71.01387	25.9
73.02934	9.2
74.02512	2.0
74.08516	1.9
76.13506	1.6
79.89543	1.6
83.01398	4.3
85.02962	11.7
87.00866	3.8
88.18353	1.9
89.02450	11.7
95.01395	3.4
95.19308	1.8
96.96026	5.1
98.19837	4.1
99.00855	3.0
101.02453	24.6
109.02944	2.3
109.92525	1.7
113.02444	9.6
116.92839	2.5
119.03509	4.0
128.03555	2.9
135.04538	3.4
143.04507	1.9
149.06042	2.5
161.04610	8.9
161.05930	1.6
175.03917	2.3
179.05606	1.9
189.05688	2.8
189.39212	1.5
221.10289	26.3
272.08905	2.1
306.07663	4.5
367.16116	19.8
373.09665	2.3
529.21332	100.0
530.21796	9.1
589.29889	2.3
594.69653	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	589.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
56.42775	0.3
57.03449	67.9
58.00592	0.2
58.03785	1.0
59.01379	84.6
60.01708	0.8
61.98834	5.6
69.03460	0.5
69.48516	2.0
71.01384	7.6
72.99303	0.3
73.02943	3.9
75.00873	0.3
81.03460	3.5
83.01387	2.1
85.02945	2.1
87.00890	2.0
89.02446	3.2
95.01385	0.7
97.02960	1.5
97.06631	0.3
99.00886	0.8
99.04519	100.0
100.04845	2.1
101.02444	16.1
109.02926	0.2
113.02444	3.6
113.06120	0.5
115.00420	0.2
115.03912	0.3
116.92852	0.3
119.03482	1.4
123.08144	0.5
125.02446	46.7
126.02796	1.4
131.03532	0.5
135.04599	0.3
137.09717	0.7
139.07629	0.3
143.03514	4.7
143.04587	0.4
149.04530	1.2
153.09189	0.9
161.04573	3.5
165.09166	0.9
166.64772	0.3
177.03360	0.3
179.05685	2.0
179.10760	0.7
187.11290	0.4
203.05573	1.9
205.12329	1.2
221.06696	1.4
221.11621	0.3
223.13374	4.1
235.08444	0.4
263.07678	0.9
305.08765	0.7
323.09747	0.4
367.21094	1.9
383.33447	0.3
391.26843	0.4
408.06958	0.3
445.20813	1.7
487.21628	1.2
529.22791	0.3
545.26001	0.7
547.23676	0.4
588.67279	0.3
589.24200	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	588.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01818	0.2
57.03439	0.6
59.01368	1.4
61.98830	100.0
69.75806	1.3
71.01390	0.7
73.02943	0.5
85.02968	0.3
87.00923	0.3
89.02449	0.4
99.04533	0.8
101.02446	0.7
113.02441	0.4
125.02425	0.3
128.03551	0.4
128.56154	0.2
138.32542	0.2
174.01691	0.2
221.11803	0.4
222.12320	0.3
336.11896	0.2
389.25485	0.4
561.95648	0.2
588.29437	0.2
601.13855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.9645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.4
59.01380	23.9
59.28395	2.8
61.98833	14.5
71.01389	10.9
71.15766	2.8
71.61120	4.4
73.01180	6.2
83.01441	2.7
83.05050	2.8
90.43750	3.6
95.91680	9.7
96.96030	7.5
99.00887	5.9
101.02423	4.8
112.98798	12.0
128.03513	10.5
142.99886	8.7
143.04657	13.1
173.00929	21.5
174.01695	100.0
179.71132	3.6
189.51860	3.2
195.23111	3.4
245.01128	5.3
247.02809	8.7
264.31006	3.0
272.08902	11.1
279.00015	50.8
304.06049	4.3
306.07623	9.3
310.97357	5.8
337.56671	3.0
342.94394	7.1
493.97021	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	589.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55441	3.6
59.01381	16.9
61.98841	20.8
69.90276	4.1
71.60661	4.0
71.61057	7.2
74.06776	4.5
79.12198	3.9
82.63820	4.3
97.87236	4.9
125.09716	6.9
131.12582	3.8
152.05449	4.5
165.12869	4.7
171.98778	4.6
237.14978	100.0
238.15382	8.0
384.73434	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51005	3.8
59.01371	20.5
60.37349	3.3
61.98832	8.9
69.22943	3.7
70.47369	5.7
70.47710	9.8
71.01381	5.3
71.05023	13.2
101.76397	3.6
142.99905	3.9
150.01985	3.4
200.06638	3.6
207.13560	4.1
217.90463	3.8
219.89342	4.2
230.95079	4.6
253.09161	18.3
258.36508	3.9
273.18570	5.9
291.19647	100.0
292.20062	5.4
342.35452	4.7
447.13400	6.1
458.41214	4.2
587.36090	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	588.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
57.27853	0.1
59.01376	1.3
61.37089	0.1
61.98831	100.0
62.98544	0.2
70.89684	0.1
71.01403	0.4
71.16608	0.2
85.02950	0.2
89.02482	0.3
99.04540	0.5
101.02481	0.2
125.02434	0.3
125.20580	0.1
148.85013	0.1
171.78362	0.1
563.90540	0.2
565.96765	0.2
588.01605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.42890	0.1
61.98832	100.0
65.07537	0.1
70.02975	0.1
70.29580	0.1
71.01399	0.2
71.09909	0.2
73.02934	0.1
76.00562	0.1
82.75610	0.1
85.02971	0.2
89.02451	0.1
99.63080	0.1
101.02456	0.2
110.02504	0.1
113.02431	0.1
113.03625	0.1
128.03569	0.3
129.17693	0.1
141.45343	0.1
143.04605	0.2
161.04472	0.1
210.08810	0.1
248.00032	0.1
254.07785	0.2
272.08929	0.3
306.07608	0.1
338.37350	0.1
340.04449	0.2
370.56152	0.1
389.25552	0.2
456.12982	0.1
601.37579	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	587.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60504	1.1
51.49524	1.3
57.03449	65.9
59.01378	18.0
61.98835	40.0
62.22081	1.3
64.68873	1.3
71.01376	5.5
71.61556	1.8
71.61925	1.3
73.02961	1.9
73.66265	1.2
73.84051	1.3
81.03458	4.3
83.01367	1.5
85.02937	3.4
88.98790	3.1
89.02443	3.0
99.00841	1.6
99.04525	62.0
101.02438	14.1
113.02432	4.1
115.92107	1.7
116.92855	7.7
119.03513	1.4
125.02447	37.5
128.03520	1.9
132.49918	1.2
134.03748	2.2
137.02426	6.9
143.04590	2.8
149.06081	2.0
151.07570	1.5
161.04507	2.9
165.01926	49.9
166.02278	1.4
174.01616	3.6
177.03404	7.6
179.03397	1.8
179.10667	2.0
180.04279	75.8
181.04597	3.3
193.05037	3.9
194.05486	2.3
195.06618	100.0
196.06958	3.4
207.06772	1.2
210.40897	1.3
221.11856	9.4
229.88496	1.5
271.02481	1.5
276.70633	1.7
299.01837	2.5
300.02539	3.1
301.03381	3.5
345.97549	1.3
359.14755	1.5
483.09213	2.3
587.17834	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70543	2.3
58.78789	2.5
59.01387	20.1
61.98827	6.7
70.05768	2.5
71.01398	3.5
71.52750	4.3
72.77621	2.4
76.81036	2.3
78.95903	3.3
85.04372	3.3
97.06584	22.9
101.02486	4.4
138.53094	2.5
158.30766	2.7
169.43303	2.5
174.28047	2.5
193.12341	9.9
211.13373	21.5
253.09302	23.5
291.19647	100.0
292.20078	7.5
293.93295	3.1
312.43823	2.6
365.26947	6.0
465.27383	3.0
502.57874	2.7
614.58075	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.1
60.57954	3.1
61.98833	20.0
71.01382	19.0
71.60534	5.6
83.52983	3.2
85.02952	4.7
87.00867	6.4
89.02456	10.0
95.01393	4.0
96.96006	9.5
101.02452	15.7
102.35553	3.0
103.25588	3.0
107.94067	2.9
113.02451	8.6
114.05621	5.9
116.92875	9.2
119.03518	10.2
128.03558	4.2
162.05609	7.9
165.02020	3.5
165.05594	7.7
179.05626	6.6
186.93492	3.1
190.02713	4.4
193.05109	4.1
195.06630	8.4
205.05009	4.3
223.06123	4.7
224.06601	3.4
224.41087	3.1
245.09471	5.6
277.11981	12.6
285.03821	3.3
306.07632	5.1
549.25549	20.4
550.25165	5.2
567.20526	9.2
585.14056	6.3
585.23218	100.0
585.32068	5.1
586.23413	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	585.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98832	100.0
62.98549	0.4
70.63815	0.5
70.64146	0.5
76.38448	0.3
78.95917	1.6
95.84406	0.2
96.73006	0.2
152.99609	0.7
277.21777	0.5
283.26395	1.4
284.27051	0.4
285.27002	0.3
287.44696	0.3
292.73453	0.3
457.11990	0.3
484.27692	0.5
508.34317	1.5
585.20526	1.1
588.55957	0.3
607.90253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.3
59.01378	1.8
61.98830	100.0
62.31394	0.2
69.04012	0.2
70.37182	0.8
71.01379	1.3
73.02945	0.2
85.02956	0.6
87.00867	0.5
89.02441	0.6
99.04536	1.9
99.05698	0.3
99.92622	0.3
101.02464	1.0
113.02443	0.6
116.92891	0.6
121.02924	0.3
123.04566	0.3
125.02451	1.2
128.03572	0.4
130.08714	0.2
133.02954	0.3
134.03749	4.5
135.04037	1.5
137.02477	1.5
138.02846	0.3
139.04024	0.3
143.04619	0.4
146.08252	0.3
149.06026	1.4
150.03223	0.7
150.06482	0.2
161.04538	0.3
165.01952	1.8
165.05516	0.5
166.06076	0.2
168.56857	0.2
173.00887	0.5
174.01741	0.6
177.03380	1.5
178.02695	2.5
179.02963	1.2
180.04257	2.1
181.06274	0.2
193.05049	10.0
194.05385	3.9
195.06635	3.6
221.06540	0.2
221.11885	0.4
245.01366	1.0
255.03195	0.2
271.02475	0.6
272.02948	0.2
275.10855	0.6
277.12292	0.7
299.02057	0.4
300.02753	0.5
301.03583	0.4
393.32980	0.3
425.13211	0.3
430.55963	0.2
538.18237	0.3
586.14331	0.6
587.17950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.0
61.98822	5.1
69.58249	11.8
71.01380	16.4
73.02955	4.3
75.57458	2.5
78.95924	2.8
83.01376	3.1
85.02982	5.9
87.00866	2.5
89.02450	16.9
96.96004	5.1
101.02444	16.1
113.02459	8.8
119.03513	9.0
128.03539	6.5
134.03758	4.4
161.04532	3.8
161.25098	2.4
172.88814	2.4
179.05670	5.3
193.05089	6.8
225.15001	5.1
300.02673	2.6
304.06247	4.5
337.88647	2.4
387.20258	100.0
388.20605	6.0
516.43170	2.7
547.24506	8.0
549.25458	43.1
550.26141	5.7
555.92102	2.8
585.23212	90.7
585.32288	5.2
586.23358	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	585.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	37.7
60.32544	2.9
61.98836	11.3
69.55056	7.5
69.55468	16.1
71.01382	27.5
72.99349	4.1
73.02958	6.6
80.62756	3.6
83.67519	4.2
85.02959	5.4
87.00882	4.6
89.02444	28.7
90.20377	3.3
95.01399	3.6
96.96010	12.7
101.02440	22.5
113.02450	15.3
119.03501	11.8
125.02443	3.8
128.03540	6.5
128.36929	3.1
129.10352	3.6
130.08778	6.7
137.02448	3.7
147.25923	3.1
149.02472	3.7
161.04570	5.3
165.01981	20.5
171.07718	4.3
175.00264	3.5
178.91615	3.1
179.03577	5.6
179.05650	9.0
180.04239	12.0
181.05060	4.6
193.05165	4.7
195.06644	14.5
205.05128	7.7
220.81851	3.9
223.06241	3.7
225.07690	10.5
243.17110	18.6
277.11816	5.9
284.03366	3.4
298.79309	3.1
310.08533	3.6
357.13513	6.7
487.64124	3.3
535.07233	3.8
549.25482	22.1
585.23206	100.0
586.23425	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	585.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61728	2.3
57.03456	4.7
58.00588	4.8
59.01381	100.0
61.98830	16.0
69.46381	4.6
69.46787	12.0
70.19310	2.3
71.01387	81.7
72.01759	2.7
72.99302	11.0
73.02956	3.5
83.01379	3.4
85.02963	17.1
87.00888	9.1
89.01908	4.9
89.02450	91.5
95.01400	5.8
96.96025	4.1
98.20621	3.0
99.00885	2.5
101.02456	50.0
113.02456	35.8
114.03840	7.1
115.04078	2.7
119.03516	40.2
121.02977	2.8
125.09706	3.0
127.61361	2.4
128.03590	2.9
131.03482	8.3
134.03745	3.4
137.02400	12.9
137.06093	3.9
143.03503	8.2
149.02397	5.5
161.04478	12.1
164.04752	5.1
165.01930	85.8
166.02390	2.2
179.03543	22.8
179.05614	19.1
179.07147	8.2
180.04292	43.6
181.04948	4.1
193.05054	5.9
194.05786	2.6
195.06642	56.9
210.05315	9.6
221.06682	3.1
225.07674	45.2
225.37831	2.6
233.42464	2.5
327.08908	4.9
342.11063	4.0
357.13428	22.1
359.13556	4.7
371.69211	2.6
397.07053	2.6
400.02060	2.4
537.19391	3.9
541.10760	2.6
547.24219	3.8
549.25287	3.9
585.22400	19.6
585.31738	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	585.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02993	1.0
59.01384	63.1
61.98826	4.2
69.10715	0.8
71.01382	3.6
71.60589	1.4
73.02937	1.1
74.02470	2.5
78.95933	1.1
79.95743	2.1
82.03040	1.5
85.02963	2.8
86.02460	1.1
86.33640	0.9
89.02456	1.6
90.52547	0.9
96.96013	7.1
96.96973	1.7
97.04095	3.5
99.05653	1.3
100.00380	1.4
101.02428	1.7
102.00225	2.2
105.99669	4.2
113.02442	2.6
115.52193	0.8
116.92842	1.2
119.03489	1.1
121.02995	1.6
122.03721	2.1
128.03546	19.4
128.04430	1.6
128.35428	0.8
129.03931	4.1
130.08702	2.1
135.04585	1.0
135.05612	1.4
143.04604	2.0
149.02451	44.3
150.03247	18.0
151.05156	1.5
152.04820	1.4
153.05582	2.1
153.06735	1.9
154.07101	0.8
160.00717	1.7
164.04814	11.3
165.05569	24.1
167.07130	1.9
169.06189	1.4
173.00937	0.9
174.01646	5.3
174.76573	1.0
175.00522	1.0
175.01822	5.1
176.02188	1.0
179.04616	2.4
180.04274	1.7
182.09547	1.0
193.05023	0.9
195.06651	19.4
197.05661	2.3
205.05069	1.4
223.06081	1.0
226.08263	1.7
243.17140	5.5
270.08997	2.3
272.08923	3.6
273.09125	1.4
283.02490	1.2
285.11288	4.8
286.05267	1.1
297.11377	1.1
300.10043	22.1
301.10464	1.6
304.06104	24.4
305.06390	19.6
306.05902	3.2
315.12399	100.0
316.12778	8.1
363.09952	2.0
363.14508	40.4
364.14804	4.5
489.58777	1.0
585.06598	1.3
585.22809	3.0
585.32416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13176	0.5
53.89710	0.5
56.57457	0.5
59.01383	3.2
60.99313	0.6
61.98821	3.2
67.59827	0.5
69.32858	1.8
69.33283	3.2
71.01376	2.9
73.02954	1.1
85.02949	1.1
86.04752	0.5
88.98798	3.8
89.02441	1.0
93.03455	1.4
101.02472	1.6
108.02205	0.8
109.02967	0.8
112.98849	0.7
113.02442	1.5
121.02922	3.0
122.03732	1.9
123.04514	3.0
124.25816	0.5
133.02950	3.2
134.03741	59.4
135.04092	1.0
136.01672	1.8
137.02464	9.8
139.03995	3.0
145.02982	1.5
146.03651	0.7
147.04477	1.1
149.02429	8.2
149.06087	16.8
149.46794	0.5
150.03238	15.8
151.04010	12.6
161.04593	0.7
162.03287	0.6
164.04799	1.6
165.05563	11.0
165.06891	1.1
173.00894	0.6
174.01755	1.2
175.02467	0.5
175.04004	0.9
178.02713	37.9
179.03316	1.9
179.05719	0.7
179.07170	1.8
180.04251	1.2
181.05063	5.1
192.04286	7.2
193.05049	100.0
194.05345	4.0
195.06534	3.3
207.06628	10.4
221.08691	0.6
227.03500	0.6
235.06119	0.8
279.00119	0.8
282.08899	1.1
297.11282	1.2
299.09177	0.7
327.08691	1.0
329.10175	2.7
341.10110	2.5
343.11789	1.0
359.11523	1.8
373.13162	1.0
387.23956	1.4
389.12384	2.1
443.13763	1.8
489.15729	0.6
500.34058	0.6
521.76831	0.6
537.17566	2.9
549.18054	2.7
549.24799	1.0
567.18726	6.9
568.19330	0.8
585.19592	10.7
585.26904	0.9
586.20502	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	585.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84587	7.8
59.01375	14.5
61.98856	9.8
64.95257	9.5
71.01388	23.1
82.47189	6.4
82.61403	7.2
87.69735	5.9
89.02454	8.1
95.01360	7.5
96.92463	11.4
99.00897	22.7
111.00819	6.6
112.98788	54.6
113.02444	10.6
123.04485	6.8
126.98606	10.3
142.99837	38.7
150.03239	11.8
157.04990	7.6
165.05556	13.5
173.00926	100.0
174.01689	87.0
175.02216	6.7
183.98492	8.0
217.01698	17.3
229.22673	6.2
245.01276	30.1
247.02846	63.6
248.03250	8.3
279.00067	16.1
310.97290	28.3
423.22430	7.6
497.02615	25.0
525.01984	37.8
526.02167	7.1
585.27356	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	585.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01381	3.0
61.98830	84.0
65.24853	0.4
68.63185	0.4
71.01397	2.5
71.60915	0.5
73.02944	0.6
78.95911	0.7
85.02962	0.9
87.00852	0.5
88.98820	0.5
89.02457	1.3
93.03487	0.8
95.01380	0.7
96.96013	0.8
97.15424	0.4
101.02439	2.0
108.02173	1.2
109.17306	0.4
111.00905	0.4
113.02462	1.3
113.64445	0.4
116.92916	0.6
119.04955	0.4
121.02936	2.4
122.03749	1.5
123.04527	1.2
128.03520	1.4
133.02966	2.0
134.03743	42.8
135.04082	0.9
137.02444	8.0
139.03954	2.0
149.02440	3.1
149.06085	13.1
150.03233	7.6
161.04568	0.7
163.04002	0.6
164.04765	0.6
165.05557	5.3
167.03505	1.6
168.03802	0.7
174.01634	0.5
175.04037	0.7
178.02708	28.1
179.03113	1.1
181.22282	0.4
192.04338	1.3
193.05052	100.0
194.05431	3.1
195.06648	3.1
199.07159	0.5
204.98944	0.5
207.06599	1.4
255.03036	0.5
275.10788	0.6
277.12430	0.8
285.04337	0.5
300.02667	0.5
326.48419	0.6
329.10272	0.5
341.10193	1.2
343.11893	0.8
433.16730	0.9
443.13596	0.5
498.11258	0.5
537.17596	1.3
549.25500	1.2
585.20935	0.9
585.29895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93417	0.3
59.01381	2.5
59.15268	0.3
61.98832	100.0
71.07106	0.3
78.95914	3.0
79.06460	0.4
88.77983	0.4
103.17938	0.4
115.92077	0.4
152.99649	1.6
196.89557	0.9
220.05890	0.4
236.92668	0.5
277.21793	0.4
281.24902	1.6
282.25351	0.7
283.25531	0.7
290.83060	0.4
300.50021	0.4
445.88477	0.5
503.07037	0.4
506.32681	1.4
509.33652	0.5
583.19470	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20073	0.3
59.01393	0.3
60.99304	0.6
61.98829	100.0
63.65683	0.3
69.11037	0.2
69.53481	0.3
70.63417	0.4
70.63742	0.6
78.95921	0.9
87.00902	0.7
88.00422	0.7
88.91644	0.3
88.98812	3.5
89.02483	0.3
106.99847	0.3
116.92910	0.5
143.09926	0.3
152.99637	0.8
174.63449	0.3
180.69955	0.3
255.23250	0.3
281.24820	2.6
282.25308	0.4
403.99976	0.3
506.32745	1.1
508.33545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70980	0.5
51.81221	0.5
53.58635	0.5
58.02962	1.2
59.01377	5.0
61.98828	3.8
63.99269	0.7
70.73624	0.7
70.73953	1.3
71.01384	1.3
72.00929	1.3
74.00691	0.9
74.02462	4.6
81.04597	0.7
82.02992	1.7
83.06048	0.5
85.02956	0.9
85.04076	1.4
86.02479	2.4
87.05651	1.3
89.02436	0.6
92.66826	0.6
94.52068	0.6
96.96062	0.6
97.04077	9.0
99.00874	0.9
99.05629	1.7
100.00408	3.6
100.04030	0.7
102.00194	4.6
105.99694	9.0
107.06120	0.7
109.04066	1.2
110.97883	0.7
111.05650	0.8
113.02438	1.3
114.00190	1.8
116.01781	1.4
125.03623	0.9
127.05118	1.2
128.03545	33.5
129.03883	0.9
131.02824	1.3
135.05627	2.3
141.03049	2.8
142.99806	0.7
143.04611	6.6
145.06198	0.9
146.04611	1.0
149.02435	2.0
150.03178	1.4
151.05139	1.7
153.06683	5.0
160.00723	5.0
165.05569	1.7
169.06201	3.9
170.03331	0.7
173.00926	0.8
174.01704	13.0
175.01834	13.3
179.04584	6.3
179.69763	0.8
182.09346	1.8
185.03824	1.4
185.05521	0.7
195.06636	1.4
197.05643	5.5
203.04950	1.0
205.05098	0.7
208.07304	1.3
212.85843	0.5
226.08350	2.7
252.06348	1.4
254.07838	2.2
260.07184	0.8
272.08890	8.8
278.99954	1.0
286.05081	3.5
300.10251	0.9
304.06085	100.0
305.06433	6.2
315.12384	6.8
363.14590	3.5
392.62650	0.7
584.06750	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	584.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77294	0.4
56.38675	0.4
59.01389	0.9
60.99308	16.9
61.98813	1.3
62.28036	0.4
65.98930	0.5
69.60308	1.0
69.60711	2.6
78.95916	3.4
87.00869	2.3
88.00402	3.3
88.98807	100.0
89.02440	11.6
98.20649	0.9
125.00090	0.9
152.99617	1.3
255.23245	4.3
295.47702	0.5
357.31519	0.4
409.23532	1.3
480.30936	1.4
481.31464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98830	100.0
70.37995	0.6
78.95905	0.8
89.08493	0.1
96.73504	0.2
100.15345	0.2
111.05244	0.2
180.55595	0.2
279.23257	1.6
280.23737	1.0
281.24051	0.4
282.24295	0.3
339.95728	0.2
504.31027	0.8
505.31042	0.2
507.31577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38222	0.4
56.91465	0.4
59.01379	19.1
61.98839	0.7
78.95905	25.3
80.96500	2.1
85.45908	0.4
94.30369	0.4
94.98056	0.8
96.96066	0.4
96.96887	0.5
99.92575	0.7
101.50446	0.3
115.92075	2.6
116.92886	1.4
122.98478	0.4
136.46779	0.4
152.99582	4.8
167.62233	0.4
168.04285	3.5
179.89276	1.4
180.90028	1.3
194.05869	0.4
196.89482	3.1
220.46642	0.4
224.06921	8.6
225.00751	0.4
235.91853	0.5
236.92702	0.9
242.07986	1.2
264.05930	0.5
283.26416	100.0
284.26794	7.1
357.82669	0.4
410.58997	0.4
437.76187	0.4
475.15524	0.9
508.34058	69.1
509.34415	8.3
547.17511	0.8
582.30115	4.4
583.20154	5.2
583.29047	0.6
597.55090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.01385	2.2
60.99308	15.5
61.98830	2.5
65.61636	0.3
70.91045	0.3
71.01377	2.3
72.99313	0.5
73.02943	0.5
75.00889	0.5
79.95741	1.1
80.96500	0.8
83.01434	0.4
85.02510	0.4
85.02934	2.2
87.00875	4.1
88.98808	100.0
89.02444	1.4
89.99138	1.0
95.01383	0.7
96.96048	0.4
99.00901	0.7
101.02463	0.9
112.98834	0.7
113.02458	2.4
115.00420	0.4
128.03577	0.4
129.92230	0.3
142.25095	0.4
142.99867	0.5
144.90883	0.4
145.84479	0.4
151.00414	0.7
174.01707	1.4
175.02405	0.9
227.03505	1.6
229.04970	0.5
250.79655	0.4
255.02959	2.0
267.32327	0.4
284.03171	1.8
285.03894	2.4
306.07623	1.2
310.28000	0.4
341.06674	0.6
421.02420	0.7
495.76672	0.5
497.20615	0.4
583.04956	0.8
584.03033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.6
60.99304	13.8
61.98831	10.2
66.01259	0.8
67.42142	0.6
69.68503	4.2
71.01392	3.3
72.47449	0.6
73.57460	0.7
76.84162	0.8
78.95911	1.0
85.02948	1.1
87.00874	10.2
88.00398	0.9
88.98809	100.0
89.02437	3.7
90.55508	0.6
98.19959	1.4
99.00863	1.1
101.02470	1.9
113.02434	1.2
115.00391	1.3
123.04489	0.8
145.03004	0.7
173.00932	1.4
174.01695	3.3
175.02475	3.5
201.71774	0.6
279.00192	1.4
280.99496	0.8
290.36993	0.7
293.57877	0.6
312.75958	0.8
410.42679	0.7
583.21448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.216
Annotation	Propinquanin E
Peak:m/z	Relative Intensity
52.43391	2.6
59.01381	41.3
60.99390	3.2
61.98834	18.1
61.99099	3.1
71.01383	37.1
73.02933	11.0
85.02957	9.8
87.00887	9.0
89.02443	52.5
97.02940	11.0
98.19879	5.7
101.02444	38.7
113.02458	28.3
119.03497	18.1
125.02438	6.4
131.03494	3.8
143.03502	16.0
149.04529	3.7
150.03152	3.2
151.00410	7.0
161.04547	68.8
165.01973	6.7
166.02676	7.2
175.03955	3.1
179.05620	66.7
180.04239	6.7
180.44357	3.3
181.05040	15.4
190.02945	3.0
193.05069	6.5
195.06795	4.1
205.12306	7.6
211.06047	4.4
221.06572	6.0
223.06203	3.6
224.37488	3.0
235.35971	3.3
249.98540	3.4
258.63043	3.2
263.07684	12.2
264.12701	2.9
301.60446	3.0
367.17618	5.5
467.15585	9.3
520.61188	3.5
547.23865	13.0
583.21643	100.0
583.29358	3.4
584.21814	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	581.1825
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
58.94349	1.0
61.98825	1.5
70.04913	4.0
70.05241	1.2
70.52084	0.9
71.01378	1.1
73.51412	1.0
76.14758	0.9
78.95906	100.0
83.20345	1.0
90.05923	1.1
90.58868	0.9
96.95987	1.4
96.96948	6.3
98.19836	1.6
99.92583	11.7
100.93349	1.7
103.13192	1.1
115.92078	37.2
115.92901	1.8
116.92130	1.6
116.92850	31.8
120.96957	2.2
138.97939	1.2
142.94351	1.4
150.98013	5.0
152.99579	23.9
163.89719	2.0
164.90480	1.6
171.00623	12.8
171.94737	1.1
172.95483	6.7
178.88454	9.9
179.89217	37.5
180.90028	28.6
181.90732	2.2
184.80852	1.1
185.67343	1.0
194.87857	3.9
196.89481	52.0
205.90840	5.8
206.91515	3.8
208.89568	1.6
209.88860	1.0
218.91599	1.3
221.90219	2.9
234.91048	1.2
235.91803	12.2
236.92598	29.3
237.93050	1.2
245.04272	3.1
252.91962	3.3
253.21727	2.0
256.28589	1.1
270.93152	2.2
276.95676	3.2
278.93674	5.5
292.95267	2.8
309.95203	1.4
310.96262	9.0
473.13913	7.3
481.25916	2.3
490.14252	9.4
491.14767	1.2
500.40518	1.1
533.16174	4.9
545.16205	7.2
563.17224	8.6
564.16992	1.6
581.18213	84.2
582.18427	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	581.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81895	0.8
53.83078	0.9
59.01379	8.9
59.49519	0.8
61.98826	15.4
63.64488	0.8
64.95264	0.8
71.19050	1.7
71.19403	1.1
73.01174	1.7
75.44093	0.9
83.08687	0.9
92.07949	0.9
96.42781	0.8
98.20007	0.9
104.98392	0.9
106.10799	1.0
112.49409	0.9
120.08168	2.4
121.05294	3.1
122.06135	10.4
134.06111	3.0
160.06413	4.2
173.00926	1.6
174.01723	1.5
203.98076	0.9
209.07323	1.0
211.08798	1.0
213.10339	26.2
221.97229	0.9
223.08762	2.2
225.10345	2.2
226.11089	1.7
239.11900	62.2
240.12212	3.5
241.11078	1.6
241.13457	24.2
251.11848	1.1
253.13451	3.3
261.17310	0.9
267.15137	1.6
268.78445	1.0
285.12445	100.0
286.12817	8.3
381.62531	0.9
493.26099	6.8
537.25031	14.0
538.25427	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	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98832	100.0
78.95928	0.4
80.96513	0.1
82.01392	0.1
82.96116	0.3
98.19824	0.3
152.99596	0.4
252.50209	0.1
279.23315	2.8
280.23682	1.3
281.23874	0.9
282.24268	0.4
504.31030	1.0
505.31406	0.2
506.32050	0.2
507.31787	0.5
544.23297	0.1
581.26477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82573	0.8
52.41333	1.0
59.01372	4.3
61.98831	6.2
71.01376	3.0
71.60923	1.1
79.95753	3.1
80.96504	1.4
85.02957	1.2
88.98737	0.9
89.02451	1.8
93.03473	2.2
97.03005	1.1
101.02420	1.6
113.02436	2.5
121.02953	5.1
122.03731	4.3
130.57936	0.9
134.03722	5.0
135.04514	2.0
137.02481	1.5
143.04619	0.9
144.90915	2.4
149.02443	25.6
150.03221	29.4
150.05670	1.9
152.01151	3.8
163.04022	4.8
164.04810	13.7
165.01913	4.1
165.05573	33.2
166.05875	1.2
167.03464	1.2
176.03668	1.0
178.02635	1.2
179.07149	4.3
180.04294	5.2
182.06091	0.9
183.06850	2.4
184.94031	1.5
193.01411	11.8
193.05017	7.0
195.06622	29.7
196.07030	1.1
198.05605	15.2
208.03748	21.6
210.09218	4.5
212.10857	1.1
213.02956	1.3
213.09215	1.6
223.06102	78.9
224.06491	1.7
225.07375	1.0
225.10266	1.1
226.05112	7.2
227.06082	6.2
228.05380	31.1
228.10254	2.6
237.10477	1.3
238.07298	2.0
239.08333	1.3
240.06834	1.5
243.07721	30.0
244.08078	1.3
253.09807	8.0
255.03484	0.9
255.08885	3.2
255.11415	4.3
256.09821	13.4
257.09995	1.4
264.02975	0.9
265.06265	1.4
266.06937	13.9
267.07404	1.5
271.10837	8.7
281.09338	17.3
297.08563	1.2
299.10367	100.0
300.10815	4.9
313.11685	2.3
325.08105	1.4
343.09384	7.4
357.10892	3.7
371.11264	7.2
375.11932	32.7
376.12442	2.0
385.10464	2.2
387.08334	3.3
417.12982	5.2
418.13196	1.3
419.14023	16.3
438.80121	1.1
537.17230	3.6
581.16565	11.5
582.15961	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	580.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83420	0.2
59.01377	0.4
61.35905	0.2
61.98835	100.0
70.12184	1.0
71.01378	0.4
95.87804	0.3
98.20519	0.4
111.29979	0.3
113.02440	0.2
115.00345	0.4
116.92823	0.3
131.61580	0.3
175.04016	0.4
193.05095	0.3
221.61317	0.3
225.29912	0.2
284.03296	0.4
285.03613	0.4
299.10431	0.4
580.23871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98833	100.0
69.96532	1.1
71.01387	0.5
76.02048	0.2
89.02451	0.5
93.52737	0.3
96.56248	0.3
99.87555	0.3
100.08134	0.3
101.02431	0.3
113.02480	0.3
134.03735	0.5
136.18880	0.3
160.01726	0.9
165.01973	0.3
175.03999	2.1
193.05157	0.5
241.59048	0.3
255.78944	0.3
332.25552	0.3
397.11572	0.6
543.23517	0.6
544.23621	0.6
580.21259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61647	0.2
57.29478	0.2
58.78536	0.2
59.01387	0.7
61.98833	100.0
69.42731	1.4
69.43137	0.6
71.01394	0.8
78.95889	1.8
85.02964	0.3
89.02452	0.5
96.96028	0.3
96.96981	1.1
101.02477	0.5
119.03495	0.3
134.03735	0.5
147.48387	0.2
160.01685	1.4
165.01851	0.3
175.04005	3.2
179.05678	0.4
193.05118	1.0
299.10422	0.6
345.70428	0.3
357.09122	0.6
397.11578	1.1
429.09402	0.3
605.58167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	0.7
59.01378	12.6
60.40539	0.4
61.98831	4.8
63.99246	0.4
70.29573	0.7
70.29966	0.9
78.95908	6.4
80.96521	2.9
94.98083	0.4
98.20453	0.5
106.39764	0.4
115.92020	0.4
116.46037	0.4
152.98502	0.4
152.99614	1.4
164.98592	0.4
168.04274	1.1
179.89253	0.7
196.32504	0.4
196.89471	0.9
219.30937	0.4
224.06883	0.8
225.00854	0.4
242.07919	2.3
243.82706	0.4
281.24850	100.0
282.25195	6.8
320.47284	0.4
506.32507	31.6
507.32828	2.5
580.28784	4.6
581.18030	0.9
581.28296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92992	0.5
59.01093	1.1
59.01384	20.5
61.98826	3.3
63.42872	0.6
69.39142	4.2
69.39557	1.3
71.01373	0.8
75.98981	0.6
77.49873	0.6
78.95907	25.2
79.95734	0.6
80.96532	4.9
90.06525	0.6
98.80634	0.7
100.11960	0.6
101.02451	1.0
114.66658	0.7
115.92085	2.4
116.92865	0.8
122.98537	0.6
124.57829	0.6
152.98520	0.7
152.99612	4.1
164.98578	0.8
168.04306	2.7
171.00706	0.9
172.95479	0.7
179.89211	2.4
180.90007	1.0
196.89497	2.7
224.06950	7.6
236.92552	1.9
242.07991	1.7
281.24860	100.0
282.25208	7.9
506.32510	61.0
507.32681	6.7
580.28741	6.3
581.18292	4.6
581.27637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.87074	0.7
69.87479	1.5
77.79175	0.4
88.31180	0.3
92.04163	0.3
96.96022	0.5
100.70599	0.3
120.87843	0.4
134.46480	0.4
144.35345	0.4
224.67525	0.4
548.42682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96816	0.3
57.03445	0.3
59.01387	1.1
61.98833	100.0
71.01376	0.6
72.61827	0.3
72.99298	0.2
82.86983	0.2
89.02472	0.8
101.02463	0.4
106.82351	0.2
113.02457	0.5
134.03749	1.6
149.06087	0.4
160.01677	0.8
165.01968	0.5
169.76422	0.2
175.03978	1.3
175.33665	0.3
178.02815	0.4
180.04347	0.4
193.05057	3.0
195.06631	0.6
213.09239	0.3
225.07784	0.5
272.24457	0.2
281.09464	0.3
371.11380	0.3
375.12082	0.3
419.13403	0.4
517.15594	0.4
565.89642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.2
61.98825	2.1
63.96228	1.0
66.15082	0.5
69.03454	1.0
69.43842	4.1
71.01382	8.1
73.02954	1.3
78.95908	5.1
78.98592	6.7
79.95736	10.5
80.96516	68.0
81.02705	0.6
81.03448	0.6
85.02955	3.2
87.00877	2.4
94.98084	14.6
96.95447	0.6
96.96016	6.9
97.02946	1.1
99.00899	0.7
101.02428	2.2
106.98087	2.4
112.36234	0.5
122.97583	2.9
125.02425	2.3
134.97589	4.5
136.99176	2.1
140.93990	0.5
148.99144	5.5
152.98622	4.0
152.99599	1.0
164.97279	0.8
164.98630	11.4
167.52188	0.7
190.86177	0.5
194.89919	0.6
206.99611	1.9
224.06837	1.3
225.00742	15.2
279.23267	2.3
280.23819	0.7
281.24811	12.2
299.04425	3.0
307.53268	0.5
464.21649	0.6
479.15668	0.6
506.32568	8.3
579.28418	100.0
580.28748	13.0
582.50183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98832	100.0
70.99438	0.3
78.95908	0.7
83.33028	0.1
102.96788	0.1
152.99606	0.3
175.65451	0.1
184.18301	0.2
230.03580	0.1
258.81107	0.1
277.21689	1.7
278.22165	0.6
279.22592	0.2
280.22327	0.1
342.69067	0.2
502.29404	1.1
503.29935	0.2
504.29819	0.2
505.30518	0.5
579.27228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55989	0.1
61.98830	100.0
69.97043	0.3
69.97443	0.3
78.95905	0.4
82.16328	0.1
98.20545	0.2
137.00778	0.1
151.37039	0.1
152.99609	0.6
196.46132	0.1
277.21710	1.9
278.22067	0.6
279.22519	0.5
369.18811	0.1
441.22180	0.1
502.29471	0.6
503.30396	0.2
505.30835	0.2
536.56555	0.1
579.30096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	31.3
59.01379	100.0
59.44303	2.6
59.84919	2.4
60.40151	2.4
61.78911	2.9
61.98820	7.9
71.01381	52.8
72.99306	3.1
73.02946	18.2
83.01402	7.3
85.02962	16.3
87.00883	8.6
88.98824	3.0
89.02456	32.5
95.01403	6.1
99.00856	4.4
99.04533	29.4
101.02452	39.0
107.92881	2.8
113.02465	31.9
114.93444	2.5
115.00410	2.8
115.25881	2.6
119.03526	13.7
119.05065	2.7
125.02480	18.1
128.03575	3.5
143.03499	7.0
143.04575	5.3
149.04510	4.1
161.04579	16.6
175.02470	6.0
175.04028	2.8
179.05563	8.2
199.67485	3.4
216.48874	2.9
281.08075	5.1
282.08490	4.8
283.08936	4.0
309.07675	2.8
334.53619	3.4
337.07007	5.3
338.07498	9.6
339.07758	10.3
350.07501	3.7
367.08389	4.0
369.08777	8.3
399.10684	4.6
459.11652	5.5
475.21838	20.7
493.22696	8.9
579.16315	63.7
579.26056	12.9
580.16150	5.5
580.25287	6.2
597.93451	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	579.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	31.3
59.01379	100.0
59.44303	2.6
59.84919	2.4
60.40151	2.4
61.78911	2.9
61.98820	7.9
71.01381	52.8
72.99306	3.1
73.02946	18.2
83.01402	7.3
85.02962	16.3
87.00883	8.6
88.98824	3.0
89.02456	32.5
95.01403	6.1
99.00856	4.4
99.04533	29.4
101.02452	39.0
107.92881	2.8
113.02465	31.9
114.93444	2.5
115.00410	2.8
115.25881	2.6
119.03526	13.7
119.05065	2.7
125.02480	18.1
128.03575	3.5
143.03499	7.0
143.04575	5.3
149.04510	4.1
161.04579	16.6
175.02470	6.0
175.04028	2.8
179.05563	8.2
199.67485	3.4
216.48874	2.9
281.08075	5.1
282.08490	4.8
283.08936	4.0
309.07675	2.8
334.53619	3.4
337.07007	5.3
338.07498	9.6
339.07758	10.3
350.07501	3.7
367.08389	4.0
369.08777	8.3
399.10684	4.6
459.11652	5.5
475.21838	20.7
493.22696	8.9
579.16315	63.7
579.26056	12.9
580.16150	5.5
580.25287	6.2
597.93451	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	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92310	0.4
59.01371	1.5
61.58299	0.5
63.96259	0.7
69.03454	0.7
70.38305	1.2
71.01382	7.0
73.02943	1.3
78.95901	1.2
78.98594	5.6
79.95281	0.5
79.95737	9.4
80.96519	60.0
83.01378	0.5
85.02960	2.6
87.00883	2.8
93.87550	0.5
94.98084	14.5
96.96021	2.8
97.02930	1.0
99.00870	0.7
100.48609	0.5
101.01839	0.5
101.02444	2.8
106.98102	2.2
113.02454	0.7
122.97577	5.4
125.02443	2.1
127.04012	0.6
130.24045	0.5
134.97615	3.7
136.99141	0.8
140.65118	0.5
144.20854	0.5
145.29323	0.5
148.99139	6.0
152.98633	6.8
164.98631	10.0
182.99655	1.8
206.99727	3.0
225.00729	14.0
243.01703	1.2
255.23369	0.8
279.23257	2.9
281.24811	2.4
296.54391	0.5
299.04462	2.5
341.10706	0.7
579.28442	100.0
580.28790	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	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	0.8
59.01383	15.9
61.03764	0.4
61.60737	0.3
70.93601	0.4
70.93917	0.8
71.01383	1.0
73.02930	0.4
73.21684	0.3
73.53197	0.4
78.95911	5.7
78.98603	0.9
79.95745	1.6
80.96519	10.2
82.96107	0.6
86.13049	0.4
87.00878	0.5
94.98104	2.2
101.02402	0.5
136.17656	0.4
148.99097	0.6
152.98560	0.8
152.99648	0.8
164.55707	0.3
164.98633	1.7
165.98958	0.4
168.04347	1.0
182.99635	0.5
184.00049	0.4
196.74849	0.4
224.06876	1.1
225.00728	1.1
226.01027	0.6
230.78497	0.4
242.07933	2.8
246.02975	0.4
279.23285	100.0
280.23624	8.3
348.10068	0.4
370.43668	0.5
504.30975	30.5
505.31235	3.5
524.23737	0.5
578.27209	17.4
579.26978	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	579.208
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
57.03436	0.7
59.01369	3.3
61.92864	0.4
61.98826	2.1
69.37781	4.4
71.01381	2.8
73.02936	1.1
76.96637	0.5
83.01386	0.9
85.02955	1.9
86.01325	0.5
87.00912	0.8
89.02433	0.8
89.80325	0.4
95.01387	0.6
99.04501	0.6
101.02435	2.8
109.02960	2.7
113.02430	1.1
123.00877	2.0
124.01663	0.8
125.02431	1.6
128.90848	0.5
137.02435	8.0
149.02403	1.3
151.00368	18.3
151.03998	1.3
152.01122	1.5
152.04779	2.4
153.05609	0.5
157.06425	0.4
161.02448	0.7
161.04564	0.5
164.04674	0.5
165.01935	1.0
165.05547	0.6
166.02710	57.6
167.03433	4.5
173.02318	0.5
175.04018	1.3
176.00977	0.6
177.01935	3.1
179.03502	1.1
181.05063	70.3
182.05414	2.5
184.03777	0.7
190.06352	1.0
191.03505	0.9
192.04324	1.0
193.04918	1.0
195.02837	0.5
205.05029	1.2
205.08665	1.0
207.06615	1.6
209.04523	0.8
211.70029	0.4
218.19861	0.4
284.03320	0.6
285.04169	1.0
325.70294	0.5
341.10114	0.5
357.09668	0.6
359.11478	2.2
387.10840	17.1
388.11148	1.0
402.13123	6.9
403.13730	0.6
417.15524	100.0
418.15836	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	578.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46426	0.6
59.01358	0.7
60.03941	0.7
61.98832	11.0
65.79919	0.6
70.66893	1.5
74.77834	0.6
78.95904	100.0
94.75645	0.7
96.96957	7.0
122.98512	0.9
123.29457	0.7
127.11279	0.9
140.01234	0.7
152.99606	13.7
167.14427	1.2
168.13956	1.0
171.00648	16.9
174.01691	0.7
183.61549	0.6
194.05818	1.0
211.13387	1.6
229.14357	1.1
241.18016	1.4
268.09543	3.3
277.18134	1.1
295.19193	2.0
336.32840	0.8
366.16815	2.1
578.30963	61.5
579.31079	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	578.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98833	100.0
62.27116	0.5
69.36043	1.5
69.36465	3.5
71.01401	1.2
75.30584	0.5
78.95926	1.1
78.98608	1.5
79.61938	0.5
79.95745	2.1
80.01888	0.5
80.07667	0.5
80.96521	13.1
84.16190	0.5
87.00903	0.5
94.98091	2.7
96.96031	0.9
101.02431	0.7
111.75001	0.5
122.97607	1.2
134.97591	0.6
148.99139	1.0
152.98680	1.4
164.98682	1.3
196.89642	0.7
206.99754	0.7
212.87347	0.6
225.00731	3.1
279.23447	1.8
280.23773	1.2
306.00760	0.6
336.90521	0.5
489.22577	0.6
579.28424	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	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54332	0.4
61.98832	100.0
69.41659	0.4
69.41958	3.9
71.01394	0.8
78.95910	1.5
79.95739	1.2
80.96517	7.1
85.02955	0.6
94.98109	1.5
96.96023	1.2
114.51582	0.4
120.89324	0.4
122.97591	0.6
152.98561	0.8
164.98674	1.5
166.11412	0.4
196.89485	0.6
204.92329	0.4
225.00813	1.3
227.81491	0.4
279.23373	1.3
280.23569	0.6
311.04608	0.4
452.79541	0.4
478.29166	0.4
542.19720	0.6
579.28461	11.9
591.41760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.5
75.94786	0.5
78.95902	19.5
78.96368	0.9
78.98596	0.5
79.95728	0.6
80.96521	6.1
94.98079	1.9
122.97494	0.7
122.98592	0.6
125.02370	0.6
134.99681	0.6
152.99617	2.4
164.98593	1.0
168.04330	3.1
192.05721	0.5
193.96899	0.5
224.06924	8.1
225.00784	1.4
226.00746	0.6
230.13168	0.7
242.07967	1.6
274.05838	0.5
279.23276	100.0
280.23657	6.0
315.03668	0.5
504.30948	61.1
505.31146	5.5
578.27197	12.0
579.26520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.0
63.41313	2.3
68.72584	2.2
71.01389	3.7
71.09884	5.1
83.10267	2.1
84.59692	2.0
122.12603	2.2
122.28972	2.0
138.46143	2.1
199.56430	2.5
211.37538	2.1
222.42592	2.3
253.09283	12.3
281.24863	100.0
282.25183	8.4
299.04379	5.4
359.34167	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	577.4237
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
59.01367	1.5
69.78191	4.4
78.95902	1.0
91.58035	0.9
100.49772	0.9
117.91992	1.0
120.89986	1.0
213.39250	1.0
255.64209	0.9
277.21716	100.0
278.22021	5.9
577.42389	43.5
577.51935	1.6
578.42517	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	578.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46262	2.0
55.79074	2.1
57.03179	4.7
57.03450	64.2
59.01383	95.9
61.98833	80.6
65.42793	2.6
69.56410	17.2
70.79925	2.5
71.01383	17.3
72.28641	2.5
73.02962	5.1
85.00617	2.5
85.02959	8.9
87.00917	2.7
89.02456	5.5
99.04527	100.0
101.02448	25.1
113.02447	7.5
125.02448	50.6
143.03491	6.3
167.03497	2.7
198.05902	3.5
212.72258	2.3
224.99168	2.2
353.19748	6.5
371.20758	13.9
410.76483	3.0
413.21884	15.8
427.67642	2.5
433.33273	5.9
471.26242	4.6
515.25018	12.8
595.03558	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92927	0.5
59.01384	7.7
61.98843	0.7
63.96242	1.1
69.60091	1.6
69.60512	2.1
71.01384	7.5
73.02946	2.1
78.95907	7.1
78.98586	6.9
79.95737	10.2
80.96519	70.4
81.03460	0.8
83.81258	0.5
85.02956	2.7
87.00891	2.7
94.98092	16.7
96.96008	1.2
97.02956	1.8
98.19866	0.9
98.51817	0.5
101.02461	2.6
106.98074	2.9
122.97598	3.0
125.02444	2.1
127.04026	0.5
134.97598	3.6
136.99120	1.4
148.99155	5.9
152.98605	5.9
152.99469	0.4
160.63136	0.6
164.98618	11.2
168.04337	1.2
188.98587	0.6
206.99706	1.9
224.06969	2.9
225.00746	12.8
242.08086	1.0
277.21744	1.6
279.23288	34.4
282.46820	0.5
299.04425	1.8
504.31015	20.5
577.26849	100.0
578.27124	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	577.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00778	2.7
54.30066	2.6
59.01374	5.3
61.98834	31.9
71.01375	6.4
71.14361	3.2
72.99326	13.2
85.02955	3.8
88.98811	9.8
89.02445	6.1
94.06976	3.1
98.20571	6.6
101.02449	5.0
102.96691	2.7
112.77879	2.3
113.02452	2.6
134.03754	35.0
137.02422	6.4
149.06088	14.3
149.68765	2.4
160.01659	5.4
175.02504	3.2
175.04037	7.5
178.02722	24.7
179.05606	3.2
193.05072	100.0
355.10300	33.1
572.84094	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	577.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11580	1.3
52.74337	1.5
56.05966	1.4
59.01377	36.5
61.98828	5.1
62.10910	1.6
67.64200	1.2
71.01382	6.0
71.32016	3.1
72.99311	7.0
85.02958	2.3
88.98804	6.5
89.02444	3.9
101.02430	3.7
101.93073	1.5
113.02457	4.6
114.82231	1.5
119.03527	2.0
132.02156	5.7
134.03738	41.2
137.02444	1.9
142.20322	1.4
149.06084	15.9
160.01660	47.7
160.03024	2.3
161.01956	1.8
162.05339	1.6
175.03998	80.0
176.04630	4.5
178.02669	9.9
179.05653	2.6
191.07143	7.3
193.05052	100.0
194.05368	4.1
202.02716	2.5
207.15923	1.7
217.05026	6.2
235.06093	17.8
265.07214	3.1
273.74390	1.6
295.08203	7.2
336.14377	1.6
355.10330	63.0
356.10638	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	577.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.8
57.03449	5.7
58.00586	3.4
59.01380	62.5
61.98834	1.9
69.03474	1.4
69.16288	0.6
69.26528	4.6
69.26935	1.4
71.01382	78.0
72.01723	0.9
72.99305	3.7
73.02946	25.8
75.00878	4.7
79.45647	0.6
81.03468	0.8
83.01386	17.1
83.05032	0.6
84.02155	1.0
85.02953	33.6
87.00878	6.4
89.02446	35.6
92.40588	0.6
95.01389	6.1
97.02948	4.4
98.19902	1.5
99.00890	8.0
99.04511	3.3
101.02444	70.2
102.02795	0.8
103.04028	2.2
109.03015	1.0
111.00893	2.2
113.02449	30.5
113.07288	0.7
114.02782	0.6
115.04022	0.7
119.03509	15.5
125.02434	6.1
127.04004	5.9
129.01923	3.1
131.03516	2.6
143.03496	7.0
145.05110	2.3
149.04591	0.9
159.02974	4.3
159.35124	0.6
161.04556	29.5
162.04958	0.8
163.06125	1.4
163.95255	0.7
179.05576	6.7
183.06709	0.7
184.06990	0.8
203.05646	0.7
205.03630	1.0
221.06683	1.2
229.07245	0.8
245.06583	0.7
247.08255	3.2
248.72028	0.6
263.07800	3.1
269.10294	36.6
270.10541	1.5
284.03287	0.7
285.03983	0.6
307.10440	5.2
332.96912	0.6
397.14960	0.9
409.13477	1.7
415.16080	88.5
416.16397	8.4
577.21356	100.0
578.21759	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	0.8
59.01380	14.3
63.96241	0.6
69.31341	0.4
69.31882	3.6
69.32190	0.4
70.74480	0.4
71.01389	5.2
73.02944	0.8
78.95911	7.3
78.98594	3.9
79.95737	6.4
80.96517	42.2
81.03452	0.8
85.02955	1.8
87.00862	1.1
94.98091	9.7
96.95979	0.7
96.96947	0.7
97.02966	0.9
97.14283	0.4
99.00887	0.6
101.02435	1.3
106.98062	2.1
113.84625	0.5
122.97601	2.8
125.02428	1.5
127.04003	0.5
132.84850	0.4
134.97618	2.9
136.99066	0.7
148.99130	3.3
152.98564	3.0
152.99631	1.7
164.98618	5.9
167.00194	0.4
168.04312	1.2
182.99696	0.5
206.37109	0.4
206.99678	1.3
213.07808	0.4
219.41063	0.4
224.06850	1.4
225.00752	9.7
227.09999	0.4
242.07915	2.7
277.21704	0.8
279.23282	100.0
299.04459	1.2
308.61368	0.4
504.30960	31.7
577.26886	59.5
578.27368	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	576.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96140	0.2
55.98491	0.2
59.01374	0.7
61.98832	100.0
69.81322	1.3
71.01387	0.8
72.99319	0.9
85.18363	0.2
89.02430	0.4
101.02470	0.5
105.31412	0.2
111.00925	0.3
113.02493	0.4
139.00423	0.6
157.01422	0.3
163.07619	0.3
179.05751	0.5
179.07214	1.3
195.42004	0.3
220.03548	0.3
238.02086	0.3
273.04169	0.4
322.89041	0.2
333.06302	1.1
389.42734	0.2
422.71127	0.2
495.11475	2.4
576.11737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
67.77478	0.4
71.38746	0.6
103.54204	0.3
233.66750	0.4
277.21805	0.7
278.22098	0.6
279.22601	0.7
341.66879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68209	0.2
59.01375	0.6
61.98832	100.0
70.22581	0.8
71.01412	0.3
78.98631	0.3
79.95743	0.6
80.96522	3.6
94.98090	0.8
98.19934	0.3
128.99319	0.3
148.99196	0.6
152.98602	0.3
164.98622	0.4
182.92355	0.3
225.00786	0.8
277.21710	0.5
278.22153	1.0
279.22388	0.7
559.98907	0.3
577.26825	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	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80307	0.2
59.01382	18.8
61.98836	1.3
61.99106	0.2
66.62351	0.2
69.22280	0.2
69.31255	0.5
69.81350	0.2
78.95911	7.2
78.96368	0.4
96.80141	0.2
98.19822	0.4
131.54013	0.2
152.99538	1.5
168.04286	1.4
203.42317	0.2
224.06949	1.0
233.22891	0.4
242.07986	3.0
259.20581	0.5
275.20111	0.6
277.21719	100.0
278.22043	7.2
502.29404	32.5
503.29694	4.3
544.52509	0.2
546.03442	0.2
585.90552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.9
60.01710	0.3
61.98841	1.2
71.01379	0.4
71.61598	0.3
78.95904	27.8
80.96509	0.5
83.05029	0.3
94.65643	0.2
96.96989	0.5
122.98525	0.5
127.07673	0.3
146.49835	0.2
152.99580	3.8
168.04318	3.2
224.06932	9.2
225.07309	0.4
233.22739	0.4
235.78717	0.2
242.07970	2.6
253.63837	0.2
259.20535	0.6
275.20053	0.6
277.21707	100.0
278.22058	6.9
339.13303	0.2
475.26450	0.5
502.29401	74.6
503.29761	6.6
517.26324	0.2
577.26996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
57.03181	1.7
57.03449	24.9
58.00579	1.5
58.03773	1.8
59.01379	100.0
60.01715	2.7
61.01806	0.9
61.98833	9.4
63.94465	5.8
69.03455	1.9
69.65194	6.1
71.01382	50.8
72.99298	4.3
73.01169	1.0
73.02942	11.2
75.00885	5.9
79.12375	0.8
81.03450	2.0
83.01389	8.1
85.02950	35.6
87.00879	25.6
87.04524	1.0
89.02447	25.2
95.01385	3.7
96.96030	2.3
97.02924	3.9
98.19884	2.2
99.00875	4.0
99.04521	24.8
100.04865	3.7
101.02442	45.6
107.46718	0.9
109.19990	1.0
112.98833	1.6
113.02451	24.1
115.03986	2.7
116.92890	0.9
119.03496	11.1
124.01678	8.2
125.02437	25.0
126.02782	2.9
128.03517	2.3
131.03503	1.6
143.03503	18.0
149.04544	1.6
159.02992	2.5
161.04550	23.6
173.00833	1.6
173.13338	1.9
174.01668	10.2
179.05580	12.5
180.06920	1.0
189.12848	2.2
198.72290	1.1
203.05574	2.8
207.14032	1.6
221.06651	3.9
235.08205	6.1
249.05426	1.8
249.14871	1.4
263.07706	5.8
267.16043	3.2
279.00000	9.4
285.04102	1.1
296.00235	2.3
342.94382	1.6
369.18842	1.5
370.19308	1.6
371.20087	4.4
388.20386	1.1
389.20871	2.6
411.07361	1.3
413.21329	2.3
429.21368	1.7
430.21512	2.7
431.22025	7.3
470.43375	1.1
515.25067	2.0
533.26001	21.7
534.26465	1.5
575.13806	1.3
575.26819	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	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.9
57.03450	16.6
58.00602	2.1
59.01383	86.2
61.98842	2.4
63.94463	3.6
68.99867	0.7
69.03459	4.4
69.60592	4.4
71.01386	58.1
72.99323	3.7
73.02948	16.0
75.00876	4.1
75.76913	0.6
80.54827	0.6
81.03469	2.2
83.01393	11.1
85.02956	69.4
87.00883	6.7
87.04523	6.5
89.02449	26.3
95.01385	6.2
97.02947	5.3
98.20592	1.3
99.00887	6.5
99.04538	1.2
101.02448	49.8
102.02782	1.1
103.90460	0.6
111.00851	1.0
113.02457	28.9
114.02763	0.8
115.03996	5.4
117.60570	0.6
119.03510	8.6
121.06576	0.7
123.00887	0.7
123.04504	0.7
123.08176	3.9
124.01665	15.2
124.56171	0.7
125.02458	20.4
131.03510	1.4
137.09717	7.8
139.11299	1.6
143.03508	33.4
144.03862	0.9
149.09702	3.5
159.03011	4.1
161.04565	30.5
161.09714	1.2
162.04926	0.8
163.06068	0.8
165.12831	2.8
174.01707	2.9
176.87788	0.8
179.05591	6.6
179.10767	3.2
185.04619	0.7
191.14334	0.8
209.15468	100.0
210.15794	5.6
221.06717	1.0
229.08549	0.6
231.13933	1.0
233.15410	0.6
235.08180	3.5
249.15005	3.7
263.07742	0.9
267.16000	2.7
279.00043	2.5
289.18066	1.0
295.19113	2.1
296.00369	2.7
305.08929	1.0
317.17587	15.4
318.17938	1.0
335.18619	1.1
342.94742	0.6
353.19675	4.1
371.20709	18.3
372.20804	0.9
413.21793	5.1
437.21561	1.0
515.24957	13.9
516.25171	2.0
533.26044	50.9
534.26343	3.8
575.27081	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	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.9
57.03450	16.6
58.00602	2.1
59.01383	86.2
61.98842	2.4
63.94463	3.6
68.99867	0.7
69.03459	4.4
69.60592	4.4
71.01386	58.1
72.99323	3.7
73.02948	16.0
75.00876	4.1
75.76913	0.6
80.54827	0.6
81.03469	2.2
83.01393	11.1
85.02956	69.4
87.00883	6.7
87.04523	6.5
89.02449	26.3
95.01385	6.2
97.02947	5.3
98.20592	1.3
99.00887	6.5
99.04538	1.2
101.02448	49.8
102.02782	1.1
103.90460	0.6
111.00851	1.0
113.02457	28.9
114.02763	0.8
115.03996	5.4
117.60570	0.6
119.03510	8.6
121.06576	0.7
123.00887	0.7
123.04504	0.7
123.08176	3.9
124.01665	15.2
124.56171	0.7
125.02458	20.4
131.03510	1.4
137.09717	7.8
139.11299	1.6
143.03508	33.4
144.03862	0.9
149.09702	3.5
159.03011	4.1
161.04565	30.5
161.09714	1.2
162.04926	0.8
163.06068	0.8
165.12831	2.8
174.01707	2.9
176.87788	0.8
179.05591	6.6
179.10767	3.2
185.04619	0.7
191.14334	0.8
209.15468	100.0
210.15794	5.6
221.06717	1.0
229.08549	0.6
231.13933	1.0
233.15410	0.6
235.08180	3.5
249.15005	3.7
263.07742	0.9
267.16000	2.7
279.00043	2.5
289.18066	1.0
295.19113	2.1
296.00369	2.7
305.08929	1.0
317.17587	15.4
318.17938	1.0
335.18619	1.1
342.94742	0.6
353.19675	4.1
371.20709	18.3
372.20804	0.9
413.21793	5.1
437.21561	1.0
515.24957	13.9
516.25171	2.0
533.26044	50.9
534.26343	3.8
575.27081	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	575.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16821	1.8
57.03452	77.8
57.90769	2.0
58.03777	2.8
59.01381	100.0
61.98833	4.6
67.06008	1.8
69.03455	2.8
69.68260	9.9
71.01384	37.7
73.02950	59.2
81.03461	4.3
83.01408	16.9
85.02950	5.2
87.00875	4.0
89.02454	7.9
97.02971	4.2
99.04523	64.8
101.02448	65.8
113.02459	21.4
119.03501	6.5
121.02904	3.9
123.04525	2.2
125.02450	46.8
131.03462	5.1
137.58017	1.8
143.03511	14.4
149.04536	12.0
150.03191	12.0
155.03510	4.2
161.04553	42.7
165.05551	11.2
183.06708	2.9
186.23924	2.0
198.61691	2.1
203.05589	20.9
221.06677	11.6
263.07660	1.8
264.77856	2.2
305.08807	3.3
306.83240	1.9
352.56018	2.1
365.10767	9.4
575.28375	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03442	3.2
58.00592	3.1
59.01381	100.0
60.01709	1.0
61.98830	1.3
64.12472	0.4
69.03461	1.1
69.68678	2.9
71.01384	51.7
72.01714	0.7
72.99301	3.2
73.02949	16.8
75.00879	1.7
77.43789	0.4
79.68661	0.5
83.01395	5.2
85.02956	14.2
87.00872	2.6
88.98853	0.5
89.02446	43.3
95.01371	5.1
97.02979	0.7
99.00913	1.5
99.04536	1.6
101.02444	34.7
102.02792	0.8
104.67783	0.5
112.01688	0.6
113.02448	36.4
114.02799	1.0
116.92835	0.5
119.03503	16.5
125.02438	2.2
127.05069	0.5
128.03549	0.9
131.03479	3.6
143.03500	4.9
149.04524	3.4
161.02483	1.0
161.04544	10.1
161.05823	0.5
168.52933	0.4
173.00954	0.5
179.05614	10.3
203.05608	0.5
203.08337	1.1
203.23172	0.4
221.06819	0.6
237.06229	1.8
245.90300	0.4
255.03029	1.1
284.03214	0.9
285.03946	0.9
314.99969	0.6
327.12418	0.7
338.37708	0.5
378.71454	0.4
406.09076	0.7
428.19931	0.6
446.21011	0.6
515.24927	4.8
533.26093	3.9
575.15582	0.5
575.30164	2.8
576.23199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.9
56.32839	0.7
57.03450	5.2
58.00591	2.9
59.01382	100.0
61.98800	1.0
62.75956	0.7
69.03455	2.8
69.60905	1.9
69.61320	3.5
71.01385	64.5
72.99306	3.7
73.02533	1.5
73.02948	29.8
74.37804	0.8
75.00874	5.8
81.03468	1.7
83.01388	11.7
85.02956	31.6
87.00880	35.9
87.04518	1.4
89.02452	35.2
90.98681	0.8
93.33270	0.7
95.01399	5.6
97.02957	15.3
97.40927	0.7
99.00880	6.2
99.04517	2.1
101.02448	65.0
102.02795	1.2
103.03973	1.1
113.02452	25.6
115.04006	4.8
119.03509	14.4
124.01662	6.3
125.02461	18.8
126.02670	0.9
131.03508	7.0
143.03503	32.3
145.05112	1.1
149.04584	1.3
159.03012	4.2
161.04562	38.6
162.04933	1.0
163.06113	3.2
174.01743	1.1
177.12804	1.3
179.05602	22.0
203.05594	6.4
221.06673	18.6
235.08209	9.2
249.14821	0.9
263.07715	11.4
305.08609	5.2
323.09570	1.0
341.10208	1.1
356.25464	0.8
433.18799	0.8
492.68301	0.8
515.25085	2.1
533.25909	11.6
575.27100	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	574.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40788	1.4
61.98538	2.0
61.98819	11.1
62.96421	1.5
71.09096	2.4
71.62717	1.3
78.95905	100.0
96.95997	4.8
96.96984	5.2
98.95597	3.3
99.92584	12.9
114.94918	7.9
115.92084	14.1
116.92846	6.6
119.98637	1.4
140.01198	2.4
141.96053	14.7
150.98067	2.2
152.99580	61.0
164.90446	1.5
171.00613	2.3
178.88422	4.7
179.89215	23.3
180.90018	9.2
192.00552	2.0
194.14317	1.4
196.89500	39.0
197.89677	2.4
204.92511	1.8
205.90948	1.3
205.93155	6.5
235.91827	6.3
236.92636	3.0
240.60460	1.5
277.21741	41.3
277.95151	3.4
278.22107	1.7
300.54242	1.6
431.21930	4.3
472.24512	2.6
474.26212	5.9
474.91806	1.3
497.13910	7.6
514.14215	6.6
531.14539	1.8
538.16693	11.3
556.17657	7.9
570.15582	2.0
574.18793	32.5
575.19067	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	574.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.1
58.00576	2.7
59.01381	92.0
61.98832	36.3
69.25797	3.3
69.26221	15.5
70.02971	3.5
71.01383	54.3
71.02505	3.9
72.99297	4.2
73.02950	23.7
73.04064	7.9
75.00861	2.4
81.02204	5.3
82.02986	10.7
83.01376	8.3
85.02956	15.1
87.00871	3.8
88.98832	3.1
89.01903	3.1
89.02442	41.3
91.12951	1.7
95.01384	4.2
96.00912	20.3
96.96000	2.4
97.64407	1.6
98.02484	25.8
99.00871	4.5
99.04537	4.5
101.02445	36.7
109.01698	9.0
109.04076	24.9
110.01764	2.8
110.02483	38.8
111.02003	9.6
112.98859	3.0
113.02449	27.4
113.03580	5.4
114.01963	7.3
116.92874	8.3
117.92854	3.5
119.03500	13.9
120.01190	2.1
125.02437	4.1
125.03571	3.8
127.05141	25.4
128.03549	6.8
128.04573	1.8
130.08740	87.6
131.03503	4.6
135.02020	6.3
135.05621	2.4
136.03987	2.3
138.09259	25.3
139.08759	4.2
140.07161	5.8
143.03482	4.8
143.04588	4.1
144.04941	2.2
149.04587	3.7
152.04613	5.0
153.03056	43.9
153.06670	2.4
154.05081	3.0
161.04550	5.9
162.25587	1.7
163.08842	2.3
165.10352	2.9
166.08717	31.3
168.09052	2.7
168.10304	3.6
170.05711	42.9
171.04123	18.0
173.00896	5.1
174.01692	15.4
179.05594	6.3
188.06749	3.9
197.05743	1.9
197.16551	3.0
204.09021	5.2
209.09338	3.4
210.07736	5.1
214.04733	2.3
214.08337	4.3
225.16060	13.6
232.09337	3.9
233.16534	5.0
235.18164	13.2
236.11736	3.2
243.17033	4.0
253.19214	4.3
261.16052	13.1
272.08749	2.5
279.00052	4.8
279.17212	11.2
305.15024	2.1
306.07617	5.4
307.07950	3.8
323.16101	100.0
324.16449	5.3
340.18542	2.1
341.17111	8.8
358.19717	2.9
426.77435	2.0
441.23407	3.3
459.24655	2.8
477.19955	17.6
494.22604	14.6
495.21036	12.0
497.20151	3.2
503.21368	3.2
512.23456	24.1
513.22821	3.8
521.22534	36.8
522.22516	2.4
530.24634	3.1
538.25232	22.9
539.23608	28.2
540.23663	4.1
556.26233	60.9
557.25342	7.8
574.12628	3.3
574.27209	55.3
575.26727	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	574.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45467	2.6
58.02972	12.2
59.01374	5.9
59.60723	2.5
61.98832	22.5
63.94457	8.0
66.03468	3.3
68.23927	2.4
73.01152	3.0
74.02474	31.1
78.96812	54.8
82.02985	5.3
86.02461	16.1
87.05633	4.2
99.00864	2.6
99.05641	24.2
101.07192	3.1
102.05576	4.4
109.04060	3.4
111.05556	2.9
112.04063	4.0
120.01358	3.0
125.03553	6.1
127.05162	6.2
128.03545	84.9
135.05640	6.8
141.06622	3.1
143.04626	100.0
145.06087	3.8
146.04575	9.4
153.06577	3.7
160.00682	4.7
167.04610	3.8
167.08307	6.3
171.07732	9.2
177.03365	11.6
179.04619	25.9
185.05635	7.0
197.05727	6.1
199.07208	4.9
210.08852	24.4
254.07808	60.8
255.08101	3.2
272.08884	76.4
273.09076	5.1
284.81561	2.7
288.06503	10.6
306.07672	32.3
326.66959	2.8
448.45746	3.8
547.63593	2.9
556.10010	3.7
560.69830	3.0
574.12262	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11592	2.5
53.50504	2.4
54.31927	2.5
57.03459	7.0
58.02968	10.7
59.01369	21.3
61.98841	28.3
63.96246	3.6
69.89849	6.3
69.90265	8.9
71.01373	8.0
72.00916	6.8
72.49490	2.8
72.99278	3.1
73.01167	6.8
73.98315	2.6
74.02468	30.8
77.96114	2.9
82.02979	5.0
86.02483	16.6
87.05598	4.2
88.04036	3.9
89.02431	4.5
89.87749	3.1
90.14677	3.0
92.12439	2.5
96.04526	3.0
98.19941	3.4
99.00894	2.7
99.04514	10.2
99.05636	16.4
100.00395	5.0
101.02441	6.9
101.07200	4.4
102.05569	4.2
109.04110	2.9
112.04060	4.6
113.02483	4.3
114.00250	5.0
120.01244	31.1
125.02473	5.8
125.03542	5.1
127.05136	8.6
127.08803	3.7
128.03539	81.3
135.05612	4.2
141.06721	4.1
143.04617	86.9
145.06201	14.0
146.04529	4.1
149.70595	3.4
153.06613	5.7
160.00706	12.0
167.04633	5.1
167.08331	4.6
171.04138	3.9
171.07758	22.4
174.01688	3.4
177.03430	5.7
179.04590	16.2
185.05621	7.9
199.07228	11.5
201.05186	4.4
210.08846	22.6
244.09357	13.1
250.37646	2.8
254.07768	41.3
264.42554	3.2
272.08878	70.0
288.06589	8.6
304.06018	24.6
305.08585	7.8
306.07648	100.0
328.09561	4.7
342.13440	4.7
346.10770	83.7
347.11081	4.1
378.07877	3.8
395.08209	9.3
412.21487	3.3
446.15158	2.8
574.26465	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	574.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	7.2
58.36747	1.9
59.01379	3.7
61.65179	2.3
61.98837	22.5
71.61817	2.3
72.00907	6.1
73.01164	5.3
74.02476	15.0
84.04517	2.3
86.02486	7.3
86.99084	2.8
89.02468	3.0
99.05658	10.9
101.02448	2.9
104.98383	3.6
116.01778	2.3
120.97783	2.4
127.05107	3.0
128.03549	41.7
135.05699	3.6
143.04639	48.0
145.06204	5.4
146.04614	3.9
146.54724	2.2
153.06734	2.6
155.53941	2.3
160.00717	8.8
167.04578	2.7
167.08438	2.4
170.03229	3.0
171.07690	3.8
179.04672	8.7
185.05612	4.9
187.78273	2.6
199.07254	4.1
210.08868	5.5
244.09447	3.3
254.07825	15.0
270.44800	2.8
272.08847	31.4
272.17456	2.5
288.06625	4.0
304.05975	9.8
306.07657	100.0
307.07736	4.9
330.13065	2.5
346.10770	22.2
378.07913	5.7
395.08237	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	574.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83850	1.3
57.03437	4.0
58.02962	3.6
59.01377	10.9
61.98832	31.2
64.95238	4.3
71.01388	7.4
71.61380	2.4
73.01178	13.4
74.02472	16.2
75.00879	1.3
82.02979	1.9
83.01398	1.5
83.02511	1.7
86.02469	6.9
87.00873	3.3
87.05640	3.3
89.02424	2.8
93.60829	1.6
99.00877	2.0
99.04497	3.4
99.05628	10.7
100.00356	2.3
101.02437	4.1
101.07212	2.1
102.96812	1.5
104.98366	12.0
113.02428	2.9
114.16470	1.3
119.03483	2.1
125.02405	2.1
127.05151	3.8
128.03539	48.9
135.05624	3.7
136.95590	5.4
143.01738	1.5
143.04623	58.0
145.06209	3.7
146.04597	6.3
153.06702	3.8
160.00751	15.4
161.04576	3.1
165.05487	1.3
166.09875	2.1
167.04613	5.0
167.08214	2.1
169.06122	2.3
171.04068	1.4
171.07724	4.8
174.01656	2.0
175.01808	1.8
179.04596	12.0
181.06252	2.9
185.05646	4.9
197.05721	1.7
210.08832	11.3
249.05569	2.2
254.07822	17.2
272.08871	39.0
273.09225	1.5
277.18826	1.7
288.06516	6.1
304.06070	4.4
306.07639	100.0
307.07764	4.3
313.03168	1.4
360.06964	1.8
373.25983	1.9
378.08011	52.2
379.08145	2.5
385.51331	1.7
411.05981	4.1
412.06638	1.8
472.02585	1.5
574.25891	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	574.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02958	5.3
59.01374	10.6
61.98827	42.7
68.36921	3.6
69.02335	3.7
69.69415	17.9
71.01379	8.8
73.01160	3.3
74.02470	10.8
82.82706	3.1
96.96029	3.5
99.04545	4.1
99.05624	9.3
100.00356	3.2
101.02432	3.6
113.02429	4.3
127.88085	3.3
128.03531	37.7
134.04747	3.2
143.04626	41.9
146.04520	4.9
160.00723	10.7
167.04622	4.8
179.04634	8.1
181.06206	4.9
201.14044	2.8
210.08890	9.0
254.07771	12.3
272.08817	20.9
288.06442	5.2
306.07672	100.0
307.02606	3.7
311.53033	3.3
378.07935	24.4
524.56860	3.3
574.32135	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	573.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03448	62.6
58.00579	0.9
58.03779	1.2
59.01380	100.0
60.01724	1.5
61.98831	4.6
71.01390	16.0
72.99309	0.9
73.02944	4.8
81.03455	2.9
83.01379	2.5
85.02962	5.2
87.00888	3.1
89.02451	7.1
95.01368	1.8
97.02943	1.7
99.00869	2.1
99.04520	95.7
100.04860	1.9
101.02447	20.3
103.99747	0.7
113.02447	7.8
116.62131	0.6
119.03500	3.5
121.02937	1.2
125.02447	45.6
126.02774	1.1
128.03545	0.8
134.00204	0.7
137.09758	0.9
143.03494	4.0
151.00375	1.4
161.04582	4.1
166.02687	2.9
173.00826	0.8
179.05557	2.2
181.05049	3.9
182.09697	0.7
195.13821	1.0
221.06642	0.9
225.14944	5.6
230.08092	0.8
263.07626	0.7
272.08505	0.7
282.71289	0.7
351.21729	5.5
369.19162	20.3
370.19046	0.9
387.20258	15.9
388.20590	1.3
392.16705	0.7
411.20221	8.7
429.21262	42.3
430.21359	2.5
471.22064	2.8
508.58017	0.9
529.26697	1.2
573.24725	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93766	0.8
56.38065	1.0
56.51789	0.9
57.03444	3.4
58.02729	0.9
58.02980	6.3
59.01377	10.5
61.98835	22.6
63.94479	1.2
64.95250	5.9
67.64031	0.9
70.99611	1.1
71.01403	5.6
71.61890	1.2
72.00912	1.2
73.01170	11.9
74.00719	1.4
74.02480	14.7
82.02975	1.8
83.01408	1.2
83.07938	1.2
85.02953	1.4
86.02483	6.9
86.99081	1.0
87.00851	1.6
87.05653	4.8
87.36189	0.8
89.02441	2.8
90.00196	2.1
91.54768	1.1
93.84708	0.9
96.96071	0.9
97.04069	1.8
99.04552	5.9
99.05631	11.4
100.00418	2.9
101.02443	4.0
101.07232	1.4
102.05608	1.9
102.96841	1.2
104.98397	12.7
107.06178	1.0
109.04053	1.1
112.04044	1.5
113.02434	1.9
116.92889	0.9
120.01258	1.1
121.54144	1.1
123.05640	1.2
124.04020	1.2
125.02437	2.9
125.03513	1.9
127.05107	2.1
128.03542	47.3
135.05646	3.4
136.95601	4.1
137.07297	1.0
141.06711	2.5
141.25258	0.9
143.04633	54.2
145.06189	2.7
146.04620	6.7
153.06677	2.9
160.00737	11.5
160.26122	0.9
161.04572	1.6
166.09851	2.1
167.04610	4.9
167.08284	1.3
169.06168	2.0
170.03366	1.1
171.04048	1.5
171.07735	3.0
175.01897	2.5
177.03387	3.9
179.04611	13.4
181.06151	1.5
184.10957	1.2
185.05653	2.9
192.07745	1.0
197.05656	2.8
199.07327	1.5
203.04875	1.8
210.08852	11.5
242.08047	1.0
249.03508	1.4
254.07841	15.8
272.08875	36.3
286.05060	1.6
287.05280	0.9
288.06546	7.1
304.06137	3.4
306.07654	100.0
307.07913	3.7
346.10623	2.5
376.71631	0.9
378.07990	42.6
379.08173	2.9
411.05902	5.2
412.06424	1.3
574.25574	2.8
587.88391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24156	0.3
57.03451	62.8
58.00589	0.5
58.03807	0.4
59.01381	100.0
60.01719	0.5
61.98829	1.6
61.99113	0.3
69.03448	0.6
69.28301	3.4
70.90545	0.4
71.00987	0.7
71.01387	12.9
72.99307	0.6
73.02950	2.6
76.49785	0.3
81.03451	4.1
83.01395	1.2
85.02958	4.3
87.00888	0.9
87.05700	0.4
88.04047	0.5
89.02445	5.6
95.01381	1.1
97.02962	0.8
98.20647	0.6
99.00893	1.4
99.04521	93.3
100.04855	2.0
101.01775	0.9
101.02448	16.7
113.02454	6.7
115.00376	1.0
115.92089	0.5
116.92879	1.7
119.03480	2.3
125.02450	43.8
126.02746	0.8
129.06670	0.5
132.02971	0.4
137.09637	0.7
140.92213	0.3
143.03535	3.6
149.04558	0.6
151.08789	0.6
152.08379	0.7
161.04541	1.2
164.15952	0.3
168.11481	0.4
174.01579	0.4
179.05389	0.4
189.12785	0.6
195.13878	0.8
197.15372	0.7
200.13954	0.6
205.12311	0.5
207.13876	1.7
224.13907	0.7
225.14964	6.7
226.15376	0.4
242.14899	0.4
260.19836	0.3
351.18134	0.4
351.21939	0.5
369.19171	32.7
370.19516	2.5
387.20255	17.3
387.27646	0.5
388.20679	0.9
399.84601	0.4
411.20273	10.6
412.20325	1.3
412.25250	0.4
413.25293	0.8
414.24182	0.8
429.21289	40.4
430.21634	3.3
457.26273	0.4
471.22324	2.9
472.22351	0.4
511.25522	0.5
529.26587	1.2
573.23572	1.9
573.29419	2.0
574.25873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
57.03449	73.9
58.03782	0.7
59.01381	85.5
59.27770	0.2
60.01707	0.6
61.98832	0.7
71.01382	5.0
71.61346	0.3
72.99307	0.2
73.02953	1.9
75.00906	0.2
78.91865	0.4
81.03458	3.3
83.01384	1.3
85.02948	1.5
86.70097	0.2
87.00874	0.3
89.02444	2.0
95.01395	0.5
97.02943	0.4
99.04520	100.0
100.04850	1.9
101.02446	13.1
104.98368	0.2
113.02451	2.5
115.04025	0.2
119.03516	0.7
123.08187	0.5
125.02446	43.0
125.20145	0.2
126.02758	0.9
137.09698	0.4
143.03500	2.4
152.08556	0.2
161.04547	0.7
163.11285	0.7
166.02591	0.2
179.05675	0.2
181.05220	0.2
181.12373	0.2
189.12836	1.2
195.13937	0.3
197.15497	0.3
203.05672	0.2
205.12315	0.3
207.13919	1.6
216.43340	0.2
221.06656	0.3
225.14862	1.7
252.01488	0.2
351.17682	0.2
360.26062	0.2
369.14462	0.4
369.19135	8.5
370.19452	0.6
387.20267	5.8
388.20392	0.4
411.20087	2.2
412.20416	0.2
429.21255	13.0
430.21429	0.6
471.22278	0.9
529.26874	0.3
573.25085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	7.8
58.00571	7.9
59.01384	100.0
59.32975	5.4
59.93535	5.7
61.98834	36.3
63.94531	5.0
69.38419	9.3
69.38824	47.7
71.01387	86.5
85.02949	20.7
87.00885	14.1
88.98812	33.2
89.02448	98.5
95.01392	7.2
99.00876	5.7
99.92611	10.8
101.02451	47.3
113.02465	42.5
115.08777	5.6
115.92113	12.3
116.92858	36.8
119.03504	32.8
128.03551	21.2
130.08723	8.4
137.02451	6.7
143.03505	13.5
161.04535	23.0
171.50140	5.3
174.01726	6.8
175.02469	6.1
179.05640	51.3
186.12595	8.3
197.06177	5.5
211.14186	6.5
256.03738	6.6
281.08353	7.2
284.03162	7.7
297.11407	12.1
306.67355	6.0
327.12384	26.4
340.05875	7.2
357.13574	11.2
368.88663	6.0
400.14160	6.9
424.68851	7.0
494.07370	8.1
529.31012	8.0
555.28058	7.5
573.31769	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	573.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
57.03446	6.1
58.00594	2.3
59.01381	100.0
59.64428	0.6
60.01736	1.1
60.76496	0.6
61.98827	2.5
64.82766	0.6
69.03458	3.5
69.94209	1.2
69.94620	1.8
71.01385	58.3
72.01718	0.7
72.99323	4.1
73.02951	22.6
75.00882	2.6
81.03468	2.7
82.18075	0.7
83.01392	10.3
85.02954	21.4
86.00131	0.6
87.00880	30.4
89.02449	34.4
95.01389	6.9
97.02954	18.4
97.03550	0.9
99.00893	2.9
99.04524	6.1
101.02448	60.1
102.02772	0.9
107.03513	0.6
108.89422	0.6
111.00912	0.7
113.02454	19.1
113.03246	1.2
115.04015	5.4
119.03501	13.4
123.00892	0.6
124.01653	1.3
125.02457	18.5
129.01959	0.9
131.03503	4.3
137.09714	9.1
143.03506	35.8
144.03830	1.1
149.04594	1.6
159.03008	1.5
161.04559	26.1
174.01695	2.5
179.05621	21.7
179.07176	1.2
185.04558	1.1
189.12927	2.4
203.05629	13.9
205.12302	1.1
207.13954	2.6
221.06667	27.7
235.08296	4.5
245.06630	0.8
263.07739	8.4
265.14560	1.4
279.00101	1.4
305.08862	8.8
323.09906	2.3
352.21201	0.7
362.37692	0.6
362.48831	0.7
375.27560	0.9
573.30634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06719	0.3
57.03444	2.9
59.01382	4.7
61.98836	0.6
71.01376	1.7
73.73172	0.4
74.02493	0.4
78.95852	0.5
83.01382	0.4
85.02946	0.8
89.02454	0.5
96.96036	1.8
98.19796	0.6
98.95592	1.1
99.00865	0.7
99.04518	4.4
99.92583	13.4
100.92628	0.9
100.93362	1.9
101.02438	1.2
104.98350	0.5
113.02447	0.5
115.92076	26.0
116.92859	100.0
117.92870	4.7
125.02470	2.0
128.03526	1.4
132.46698	0.3
136.05237	1.0
140.92860	0.7
141.93613	1.2
142.94392	0.5
143.04558	0.8
144.82938	0.4
153.09106	0.4
155.12801	0.3
156.41843	0.4
156.92317	0.5
158.93932	0.4
163.07527	0.5
169.93181	0.5
177.03288	0.4
180.07948	0.7
181.08699	2.1
183.94615	0.5
184.91811	2.3
188.97049	0.4
196.95523	0.5
244.97380	0.5
259.96295	0.5
272.08966	0.5
306.07715	1.8
367.14102	0.5
369.22867	0.6
385.14951	0.9
433.09351	0.5
451.10623	2.2
469.11661	1.5
487.12729	4.3
488.12460	0.4
493.11801	1.7
499.12662	0.6
511.12915	1.7
529.05713	0.5
529.13849	8.7
530.14160	1.0
537.10748	0.6
573.12769	23.7
574.12988	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	573.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
58.02978	8.3
58.38652	1.2
59.01379	14.3
61.98834	16.9
66.03494	1.2
70.02979	1.6
71.01388	8.4
72.00913	1.3
73.02942	4.0
74.00708	1.4
74.02476	13.9
81.04569	1.2
82.02987	2.6
83.01391	2.1
85.02961	3.5
86.02495	7.1
86.99041	1.5
87.00878	2.4
87.05619	3.4
89.02447	4.4
90.00192	1.7
96.95987	1.6
97.04102	2.7
98.02498	1.6
99.00866	1.8
99.04539	2.7
99.05648	14.3
99.92578	8.3
100.00417	2.4
101.02459	8.3
101.07226	3.1
102.05607	3.3
104.98392	2.1
109.04086	2.0
113.02440	4.7
115.92080	11.4
116.92861	46.0
117.92877	4.8
118.92668	2.4
119.03490	2.2
120.01247	19.2
125.02455	2.8
125.03539	2.0
127.05193	2.1
128.03543	49.0
135.05634	3.4
137.02489	1.4
137.03615	1.3
137.66556	1.1
138.09142	1.1
141.06711	5.1
143.04623	57.2
144.04980	1.2
145.06183	2.1
146.04578	4.4
146.43285	1.2
153.06693	4.2
159.45816	1.1
160.00734	11.9
161.02435	2.9
161.04599	1.8
165.05531	1.3
166.09814	3.3
167.04581	3.4
167.08305	1.9
169.06245	2.4
171.07672	2.9
174.01688	5.8
175.01909	1.6
177.03395	4.5
179.03345	1.7
179.04623	13.5
181.08624	1.7
185.05669	3.7
197.05647	2.9
210.08836	15.1
219.30731	1.4
219.65109	1.4
238.52863	1.1
249.05475	1.4
254.07808	22.7
255.03041	2.5
255.08144	1.2
271.67029	1.2
272.08878	45.0
273.09052	1.7
279.00009	2.6
284.03201	1.6
285.03778	2.2
286.05026	2.1
288.06586	10.1
300.02911	1.4
304.06046	11.1
306.07666	100.0
307.07886	4.6
346.10638	1.9
360.06854	1.5
369.19229	1.7
378.08005	12.8
380.39597	1.2
411.20682	1.3
469.11618	1.4
487.12247	2.1
529.13232	1.7
573.12061	24.5
573.29120	4.8
574.12408	4.1
592.75519	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2888
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.84536	0.8
65.46891	1.0
69.35668	7.6
75.41081	0.8
78.95908	61.2
84.25022	1.0
85.40757	0.8
96.96970	10.4
101.66772	0.9
113.05425	0.8
134.98586	1.0
139.01576	0.8
150.97998	1.5
152.99593	58.5
178.20502	1.0
223.00246	1.8
241.01186	28.2
243.50711	1.0
255.23288	62.5
256.23666	3.4
315.04810	9.2
391.22467	5.8
409.23672	1.8
571.28894	100.0
572.29108	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	573.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
55.75723	1.1
57.03448	36.5
58.00584	1.6
58.02974	4.7
59.01378	78.7
60.01705	5.2
61.98838	7.5
69.03447	1.5
71.01381	36.6
72.01716	4.3
72.99321	2.1
73.01816	1.8
73.02950	11.1
74.02476	12.1
75.00861	2.1
81.03480	1.5
83.01381	9.2
84.01714	1.5
85.02953	17.2
86.02480	4.5
86.03282	3.0
87.00888	3.0
87.05646	3.1
87.09530	1.2
89.02446	17.4
90.02759	1.7
95.01377	5.1
96.96016	4.7
97.03007	1.4
98.20641	2.7
98.95596	4.4
99.00879	4.2
99.04518	49.5
99.05540	8.8
99.92584	25.9
100.04863	1.7
100.92576	1.1
100.93349	2.6
101.02439	41.3
102.02795	6.5
103.02881	1.8
104.98392	1.4
109.04140	1.2
111.05634	1.3
113.02444	12.6
114.02781	2.6
115.91284	2.4
115.92076	35.0
116.92857	100.0
117.92874	5.2
119.03499	9.4
120.01262	10.1
125.02445	22.2
127.03971	1.8
127.05167	1.7
128.03537	32.9
131.03438	1.1
135.05626	1.3
137.07245	1.4
138.54329	1.3
141.06709	1.7
142.94389	1.7
143.03522	3.7
143.04608	43.3
145.06111	2.0
146.04581	4.6
153.06720	2.3
159.02995	1.6
160.00740	9.5
161.04564	7.8
162.04820	2.5
166.09824	1.8
167.04605	1.8
171.07797	1.8
174.32164	1.1
177.03368	5.2
179.04448	7.6
181.06155	2.8
185.05611	1.7
207.06557	1.8
210.08813	9.0
216.15323	1.2
226.00308	1.4
254.07841	15.2
263.14960	14.5
264.15308	9.2
265.15485	5.1
272.08865	28.5
273.09036	1.4
288.06644	6.5
289.99448	1.2
306.07645	65.9
307.07816	3.6
323.09543	1.4
351.21561	3.0
378.07965	11.1
409.20746	11.7
410.21118	17.8
411.21246	17.9
412.06934	1.8
429.21310	1.9
451.10452	6.6
469.11740	18.9
470.11859	2.5
487.12454	2.6
493.11868	2.2
511.12662	1.2
512.12549	1.3
529.13702	4.9
537.10730	25.6
538.10809	4.6
572.26263	16.4
573.12323	21.3
573.26337	35.0
574.12415	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	570.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.9
59.01382	11.1
61.98836	31.2
68.99534	3.0
70.02976	6.4
70.13470	7.7
71.01366	4.9
73.02956	2.5
76.73267	1.7
79.95745	1.7
81.16479	1.5
82.06634	2.4
84.08183	1.7
87.00861	3.2
88.37870	1.6
89.02418	2.3
96.00923	24.4
98.02479	36.3
98.20551	1.7
99.04513	1.7
101.02439	5.0
109.01709	1.9
112.98603	2.4
114.01945	5.4
116.92844	3.1
125.02493	2.2
129.10359	45.6
130.08748	100.0
131.09093	1.9
134.03754	3.4
143.04655	2.1
151.08759	2.9
152.07144	5.3
155.08189	2.7
161.04514	1.7
169.09836	2.5
193.05096	3.2
195.07759	5.0
195.15089	1.7
197.16602	13.7
199.18141	7.8
201.18147	1.7
211.14572	4.1
221.16553	3.2
223.14619	1.9
225.16017	2.1
226.12001	10.9
243.17140	19.0
244.13113	4.0
249.15942	1.9
271.01974	1.7
295.12967	1.8
298.24609	1.9
306.07587	3.1
378.23816	4.9
422.22998	68.3
423.23291	5.7
425.37964	1.8
440.23993	3.2
473.11896	3.0
552.34015	97.5
553.34216	15.2
570.35010	61.4
571.35236	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	571.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	46.8
59.01381	82.0
61.98837	3.5
62.16470	0.6
71.01388	8.9
71.61177	0.8
73.02946	5.0
73.20494	0.5
81.03475	2.6
83.01385	2.1
85.02927	2.6
86.07625	0.5
89.02450	1.9
95.01357	0.9
99.00883	1.0
99.04520	100.0
100.04857	1.6
101.02441	13.7
102.87994	0.5
113.02462	3.4
113.06096	0.6
119.03493	1.0
125.02448	40.6
126.02752	0.7
138.06845	2.3
139.07631	0.7
143.01674	1.9
143.03494	3.7
150.03201	1.9
151.03926	0.7
151.07634	3.3
152.08421	6.6
153.08031	0.9
153.09213	16.3
155.82196	0.6
156.00671	0.7
159.11804	1.0
161.04576	2.8
163.11203	1.3
165.05553	1.5
165.09128	0.5
174.01660	4.5
179.05696	0.7
189.09180	0.6
203.05594	0.9
205.10519	0.7
205.12328	10.8
223.13387	6.2
247.09683	2.2
323.09811	0.7
367.17538	8.4
385.18506	1.9
409.18628	3.7
427.14227	0.9
427.19690	14.5
428.20590	0.7
454.99484	0.6
469.21002	2.8
505.18741	1.0
527.24506	1.7
536.85962	0.5
571.23737	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	571.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.5
57.03446	5.0
58.00589	2.6
58.29889	0.4
59.01382	55.1
61.98826	2.0
62.17278	0.4
65.93046	0.4
69.03462	1.3
71.01384	63.2
71.61053	0.5
72.01714	0.7
72.99302	3.4
73.02950	21.7
75.00871	3.6
81.03455	0.6
83.01385	14.4
84.04831	0.4
85.02951	27.4
86.00092	0.9
87.00875	4.0
87.04514	0.5
89.02445	27.1
91.87146	0.4
95.01402	5.4
96.96011	9.6
97.02949	3.1
99.00881	6.8
99.04524	5.2
99.92554	0.5
101.02444	61.8
102.02755	0.7
103.04034	1.4
109.02926	0.8
111.00883	1.6
111.34261	0.4
113.02451	24.6
114.02698	0.5
115.92076	0.9
116.92863	3.3
119.03510	13.4
125.02460	3.4
127.03993	5.3
129.01929	2.5
131.03484	2.4
139.99837	0.5
143.03482	4.1
145.05084	1.9
149.04567	1.0
153.01906	0.6
159.02972	3.7
159.11774	0.5
161.04559	18.1
163.06145	0.7
165.05566	0.6
179.05627	6.5
203.05574	0.7
221.06642	0.5
229.07187	0.6
235.08363	0.5
245.06567	1.1
247.08203	1.7
263.07715	2.9
263.14984	49.8
264.15384	2.0
268.63760	0.4
307.10419	3.8
369.19284	0.5
387.20453	0.5
391.19815	0.9
409.20773	86.3
410.21115	5.9
429.21255	1.0
487.26205	0.4
533.25739	0.7
571.26062	100.0
572.26422	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	569.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
57.03446	4.3
58.00601	3.1
59.01378	72.9
60.01709	0.6
61.98823	1.8
67.20365	0.5
68.99825	0.5
69.03452	2.0
69.48289	0.4
69.61560	3.3
71.01383	63.1
71.05032	0.7
72.01722	0.5
72.99305	4.1
73.02946	26.7
75.00871	3.8
78.91859	0.5
81.03455	1.1
83.01383	7.0
83.05055	0.5
85.02953	25.2
86.00105	0.6
87.00881	9.6
87.04517	2.2
89.02447	43.2
95.01384	4.1
96.96000	0.6
97.02942	3.2
98.19923	0.5
98.63868	0.5
99.00881	4.2
99.04510	2.7
101.02442	64.4
103.04003	7.0
109.02972	0.8
113.02448	23.2
115.04016	5.2
119.03500	18.9
120.01305	0.6
125.02448	4.6
127.04005	5.4
129.01950	1.0
131.03497	10.3
134.81000	0.5
138.05420	0.5
139.04030	0.5
143.03511	12.6
145.05064	23.5
146.05463	0.6
149.02477	0.5
149.04585	1.2
159.02959	1.7
159.09753	0.5
161.03218	0.9
161.04556	17.3
162.04865	0.5
163.06117	23.8
164.06528	0.5
179.05611	29.7
205.07153	11.2
221.06612	4.9
226.18401	0.5
235.08275	0.5
245.06635	0.9
247.08206	11.5
255.03093	1.2
261.13528	1.2
263.07718	2.5
265.09308	4.3
283.02402	0.7
285.04089	0.7
307.10352	2.9
325.11374	2.4
342.13632	0.5
367.12418	100.0
368.12790	5.8
397.13452	1.4
407.19214	17.5
408.19574	1.0
427.14603	2.7
448.17993	0.7
569.24445	30.6
570.25000	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	569.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25306	0.2
56.59223	0.2
57.03445	0.2
59.01374	0.7
59.85783	0.2
61.98816	0.3
69.51811	1.2
69.52193	0.3
71.01380	0.3
73.02954	0.8
75.00886	0.2
85.02960	0.3
89.02441	0.2
98.20601	0.3
99.92585	9.0
100.92596	0.4
101.02489	0.2
109.02943	0.5
113.02484	0.2
114.93456	0.2
116.92863	100.0
117.01939	1.8
117.05565	0.2
117.92078	0.3
117.92873	3.9
125.02490	0.2
181.01407	0.2
221.70627	0.2
255.03012	0.2
292.72424	0.2
348.40851	0.2
490.62814	0.2
549.80621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07660	2.1
61.98829	45.5
62.96415	2.1
63.83744	1.9
74.46524	2.2
78.95911	47.0
96.96977	4.8
107.41737	2.2
122.77859	2.0
152.99591	72.7
171.00687	19.6
198.84645	2.2
227.03261	3.7
237.97348	2.5
245.04305	100.0
246.04562	2.6
253.21709	55.7
254.22049	4.0
337.30920	2.1
338.19519	3.1
481.25687	93.7
482.25937	8.8
566.23474	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	566.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65075	13.0
61.98832	53.5
71.51117	27.7
78.95922	23.0
88.98788	61.0
119.75869	13.6
120.80539	12.5
167.18417	11.9
177.39731	15.3
279.23337	100.0
476.27689	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95355	1.0
59.01378	4.9
60.99310	18.1
61.98833	6.0
71.01379	4.2
71.61964	1.6
74.02462	1.3
83.01414	1.7
88.98811	100.0
89.02450	1.6
91.77506	1.1
101.02465	2.9
107.13940	1.4
113.02461	2.8
118.88932	1.1
119.05024	1.4
125.02437	1.9
128.03519	1.4
134.03760	1.8
136.01666	1.6
137.02461	1.4
140.17590	1.4
147.04521	2.6
151.00381	3.0
161.04568	1.9
176.04767	2.0
178.02699	1.4
179.05473	1.2
191.07214	2.0
192.04277	4.1
193.05121	2.5
237.29979	1.2
240.04210	1.8
243.02965	3.6
255.06686	5.5
256.07059	1.3
265.07120	8.0
270.08987	2.7
271.02466	4.7
271.09631	1.8
280.47195	1.1
299.01898	6.6
300.02740	3.2
301.10809	4.1
314.04208	2.9
315.04926	1.6
408.79236	1.4
431.88397	1.2
447.01297	1.1
477.10376	12.0
567.08411	7.7
567.32953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21569	1.3
57.03448	100.0
58.03779	1.4
59.01380	86.4
61.98850	2.7
69.22875	1.4
70.61320	3.9
71.01395	6.8
73.02956	5.3
81.03466	2.3
83.01419	2.3
85.02951	2.6
87.00886	12.0
96.96014	2.0
99.04519	91.7
100.04895	1.4
101.02440	23.6
113.02435	4.5
125.02449	43.0
125.59499	1.3
143.03497	2.8
161.04573	4.0
176.07187	6.5
190.59909	1.4
203.05719	2.6
218.07866	1.3
380.13519	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	568.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49332	1.0
50.68683	1.0
58.01910	1.1
59.01381	19.1
61.98829	3.8
69.45437	8.5
77.07738	1.1
77.87598	1.0
78.14959	1.0
78.95911	25.9
115.98013	1.0
147.24750	1.0
152.99548	8.3
155.03151	1.1
168.04311	2.5
224.06903	7.5
255.23297	25.9
256.23611	1.8
269.24850	100.0
270.25208	6.7
316.92596	1.1
461.79828	1.1
469.61078	1.3
483.27307	14.3
494.32535	62.5
495.32877	6.2
568.25226	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	569.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10700	0.5
58.00581	0.6
59.01381	17.3
61.98831	2.1
69.96159	1.2
69.96576	2.1
71.01384	9.0
72.99310	1.2
83.01389	0.5
85.02954	2.1
87.00882	1.3
89.02447	9.1
95.01392	1.1
96.96036	0.6
98.20527	0.6
101.02455	5.1
108.02160	1.6
113.02445	4.1
119.03510	4.7
119.04967	0.6
134.03741	22.3
135.04103	0.7
136.01665	63.4
137.02039	1.2
143.03470	1.1
145.01416	0.9
145.02966	2.1
149.06087	12.2
151.04012	100.0
152.04366	3.7
159.97929	0.6
160.05234	0.7
161.02454	0.8
161.04581	1.4
162.03221	9.3
163.04019	3.3
177.05583	6.9
177.61530	0.5
178.02756	3.1
179.05502	3.1
193.05045	9.3
210.05365	1.4
211.06120	2.2
222.55731	0.6
295.15714	0.6
330.92810	0.6
349.13220	1.4
353.10681	0.7
371.11435	1.8
551.18030	0.6
569.18756	52.0
570.18903	5.1
588.78247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0482
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
52.25226	0.3
62.88657	0.4
62.96404	0.7
67.38885	0.3
69.81726	1.7
69.82136	0.6
78.53438	0.4
78.95908	100.0
96.95969	1.0
96.96967	37.0
111.02005	8.5
120.75758	0.3
120.96954	2.0
134.98543	0.4
138.98038	2.9
140.39055	0.3
150.98015	3.0
158.91226	0.6
158.92538	13.5
164.03598	0.6
174.97986	0.9
176.93547	1.2
186.62030	0.4
192.99077	1.4
211.00131	5.3
223.00131	0.4
241.01202	9.4
272.95703	3.5
280.02280	2.0
305.01941	1.0
320.97778	3.2
323.02853	69.6
324.03168	3.7
384.98398	4.3
402.99344	1.7
420.82269	0.4
565.04767	25.2
566.05164	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	565.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.6
69.28639	5.0
69.29066	11.0
71.01375	6.8
80.05048	1.7
80.60072	1.7
81.69500	1.6
85.02954	2.1
89.02470	3.8
96.79224	1.5
99.04460	2.0
101.02458	3.8
113.02440	3.2
122.06117	3.4
125.02421	1.6
132.04552	6.8
133.03055	1.6
147.03259	1.8
151.00333	1.5
158.02498	2.3
160.04062	3.9
161.04565	1.9
162.05589	2.1
176.03557	3.1
179.16753	2.1
184.07758	2.4
190.05119	13.0
198.04321	2.7
210.09398	1.9
211.05070	2.3
212.05765	2.4
213.06712	2.1
215.11852	3.4
224.09572	5.6
225.06676	2.1
226.07510	3.8
227.08304	8.8
230.67349	1.8
238.08688	2.0
239.11861	16.3
240.10262	4.5
241.09706	8.2
250.07370	4.1
252.05569	2.6
253.06218	14.9
253.10005	2.8
254.03267	4.2
254.06674	1.8
255.07707	11.4
255.11403	4.7
265.09891	3.3
267.07678	11.7
268.08450	9.1
281.09354	10.2
283.10852	57.5
284.11169	3.8
287.10349	12.0
299.10321	4.7
309.08795	27.4
317.03052	2.0
326.08319	1.6
327.09872	17.9
341.11432	13.7
353.07773	3.5
371.08850	16.8
385.10367	16.4
401.13617	2.8
403.11417	31.7
445.12067	7.6
473.11780	2.6
475.13657	3.3
505.07040	2.4
505.14615	46.3
506.14893	3.1
533.14105	9.8
565.16693	100.0
566.17157	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	565.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.1
57.03182	2.0
57.03453	39.2
58.00602	4.3
59.01382	75.6
68.18848	1.4
69.03455	2.4
69.67623	7.6
71.01385	86.3
71.05035	2.5
72.99320	2.4
73.02950	21.7
75.00877	4.1
77.07984	1.7
81.03460	2.4
83.01384	15.7
83.05029	2.5
85.02953	32.5
87.00870	8.6
89.02449	51.7
95.01389	5.1
95.05022	1.8
97.02934	5.5
97.06605	2.0
98.03700	1.6
98.19949	2.3
99.00901	9.1
99.04527	7.4
101.02448	81.3
102.02766	1.7
109.02963	3.1
111.00909	2.7
113.02454	37.2
113.06084	18.7
119.03513	23.5
121.02958	2.0
121.06554	1.9
123.08152	6.8
124.10255	1.5
125.02449	9.5
125.06067	3.3
131.03499	7.0
135.08099	3.0
137.09721	18.1
139.07607	2.9
141.09215	12.4
143.03505	17.3
149.04546	2.3
151.07590	1.6
151.11285	3.3
153.09241	13.8
159.02991	5.7
161.04553	49.3
161.09688	3.2
163.11334	8.8
165.07924	2.6
165.09213	25.1
166.66516	1.4
175.07632	6.0
177.12804	8.1
179.05602	14.1
179.10806	3.5
187.11255	16.1
190.10002	4.0
193.12331	4.8
203.05499	1.9
205.12326	47.3
208.10988	5.4
221.06667	11.2
223.13393	97.5
224.13728	3.0
241.10760	4.5
241.14481	10.1
245.06668	11.6
263.07706	15.6
281.71960	1.5
283.10892	4.0
284.03253	1.9
305.08890	2.8
309.08713	2.2
323.09863	10.1
327.09860	2.1
341.11398	2.1
371.08929	2.2
395.11542	1.5
403.11798	12.2
403.19693	44.4
404.20020	3.9
505.13940	2.1
547.74243	1.7
565.24994	100.0
566.25409	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	566.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
61.98831	24.3
66.87103	0.3
67.47142	0.3
69.03490	0.4
69.91006	1.5
71.01382	4.4
73.02953	0.7
80.08747	0.3
83.01398	0.6
85.02944	1.7
87.00896	0.6
89.02432	3.5
95.01439	0.4
101.02438	2.7
105.03470	0.5
113.02464	2.5
115.01830	0.3
117.03500	0.5
119.03491	1.1
131.03506	0.7
132.02185	1.0
133.02957	21.7
134.03256	0.7
134.85005	0.3
135.04527	2.3
143.03549	0.5
161.02448	100.0
162.02774	3.3
172.25195	0.3
177.05580	0.3
179.03493	4.7
179.05612	1.2
198.94812	0.3
203.03438	1.6
221.04626	0.5
221.06665	1.2
223.25124	0.3
230.62157	0.4
238.14734	0.3
263.07745	0.4
281.06714	0.8
323.07706	2.8
341.08801	1.1
383.09879	2.8
485.13068	2.1
503.14087	17.7
504.14453	1.5
530.20709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20617	0.7
57.03448	6.3
59.01355	1.4
61.98831	12.3
68.99820	13.1
69.36301	7.0
71.01389	1.7
71.60549	0.8
82.02995	1.3
83.00139	1.9
83.01380	1.4
83.05016	1.2
94.02991	1.2
96.99319	5.2
98.19829	1.5
99.00889	4.9
102.69428	0.8
103.94709	0.8
105.01942	0.7
106.06586	0.9
109.01704	11.9
109.02394	1.4
110.02480	5.2
113.01199	7.5
114.01963	2.8
122.02489	0.9
124.00413	4.2
126.01958	3.7
128.03569	2.4
140.03464	1.1
152.03543	1.0
152.17389	0.9
173.03308	10.2
174.04124	1.4
184.02512	1.0
186.04002	1.6
187.06589	0.9
190.05005	1.5
202.05145	0.9
216.06635	2.3
217.07411	1.3
228.06703	1.4
230.08171	1.0
249.47539	1.0
251.07967	3.5
276.08569	1.1
304.10629	1.0
310.04333	1.7
316.11664	0.8
344.03369	3.8
347.74899	0.8
416.03653	1.1
472.23419	1.6
486.26385	1.8
500.67087	0.9
504.27631	9.8
505.27911	2.0
519.00787	0.9
546.29059	1.1
564.29663	100.0
565.29944	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	564.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.4
61.98821	7.0
67.98183	1.1
68.99811	9.2
71.61146	1.3
83.00159	1.5
83.01379	1.9
96.99311	5.4
99.00880	2.9
109.01699	11.8
110.02470	3.0
113.01181	5.8
114.02000	1.5
124.00378	1.6
124.04089	1.1
126.01978	2.1
133.43309	1.2
146.06168	1.4
163.69597	1.1
173.03311	6.9
174.04198	1.2
186.04105	1.3
216.06648	2.0
251.08000	4.5
276.08640	1.3
398.27267	1.3
406.68240	1.3
472.23541	1.7
504.27655	9.9
564.29669	100.0
565.29944	12.4
565.65723	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	563.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08558	0.5
57.03453	4.2
59.01381	11.6
61.98835	24.1
62.17289	0.4
64.95242	0.8
66.26368	0.5
67.48822	0.4
69.03458	1.0
71.01385	7.7
73.02930	1.6
78.95962	0.7
83.01398	1.4
83.05066	0.8
85.02447	0.5
85.02958	8.9
87.00877	1.5
88.98788	0.8
89.02441	7.0
95.05025	0.8
96.95966	0.5
97.02949	1.2
97.06587	2.1
99.04519	3.5
101.02450	7.8
113.02481	4.1
119.03477	2.3
125.02464	1.1
127.11274	0.9
128.03543	0.6
137.09729	1.3
142.99884	1.5
143.03477	0.7
143.04593	0.7
144.00606	0.8
155.10751	1.3
161.04590	3.4
165.12810	0.8
167.14459	0.6
171.10289	10.9
173.00876	1.3
174.01714	2.0
177.12840	0.8
179.05626	1.1
183.13911	6.3
185.11855	0.9
190.13376	0.5
193.12384	0.7
195.13968	0.5
197.11742	0.5
209.11815	1.2
211.13411	15.2
212.13736	0.6
221.11916	2.5
227.12856	0.6
229.14445	10.7
239.12836	1.6
247.02730	0.8
251.16565	1.7
253.09297	35.4
255.32141	0.5
269.17636	0.5
276.33646	0.5
279.00058	0.8
291.19708	3.3
304.66705	0.5
309.20752	1.6
327.21765	100.0
328.22083	7.4
369.76715	0.5
503.31702	0.5
563.31537	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	563.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21720	0.8
59.01386	9.8
60.99310	17.2
61.98824	2.3
71.01382	4.8
73.02935	1.4
80.96533	0.8
85.02954	2.3
87.00856	0.9
88.98809	100.0
89.02450	2.8
89.99146	0.8
95.01395	1.1
96.96037	0.9
98.19814	1.6
98.37462	0.9
99.04533	1.3
101.02435	2.5
107.24687	0.8
113.02467	2.4
119.05062	1.0
120.01233	0.8
123.04481	0.8
143.04645	0.9
158.58875	0.8
161.04567	0.9
229.90730	0.9
255.02977	3.1
271.02423	0.9
272.68283	0.9
283.02484	2.4
285.04016	5.7
306.07388	1.0
431.09848	3.2
530.14069	0.9
552.11041	0.9
563.14661	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	563.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
59.01379	75.1
61.98829	72.6
71.01382	33.6
71.61340	3.5
72.99311	2.6
73.02940	28.4
75.00896	2.5
81.03458	5.4
83.01379	10.5
85.02960	3.4
87.92628	2.4
89.02432	5.0
89.71613	2.3
97.02940	3.3
99.00901	3.8
99.04517	80.2
101.02448	50.5
103.02862	2.3
106.50492	2.4
108.34487	2.2
113.02446	13.4
119.03500	5.9
123.04504	3.9
125.02438	52.9
131.03537	3.5
143.03514	6.4
155.03517	4.6
156.37262	2.3
161.04478	5.2
203.05574	4.8
239.16510	15.1
264.34360	2.5
277.87476	2.9
317.47766	3.0
387.93118	2.9
419.22861	21.2
461.23785	6.3
555.33960	3.2
563.25287	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	563.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70407	0.8
51.48073	0.7
55.01857	1.3
56.85126	0.8
57.03441	3.8
58.00568	2.3
59.01093	1.6
59.01379	23.9
61.98820	3.3
64.49789	0.9
67.01891	1.3
69.03436	1.2
71.01382	33.1
72.99308	3.7
73.02937	4.7
75.00877	20.8
78.24406	0.8
78.95921	1.2
83.01385	3.8
85.02955	26.7
86.03300	1.2
87.00885	7.0
89.02452	12.8
93.03504	1.1
95.01374	3.4
97.02952	2.0
98.19679	0.8
99.00878	7.3
99.04504	2.2
101.02448	14.3
103.00371	1.5
111.00905	1.2
113.01686	1.9
113.02456	30.1
114.02759	2.0
115.00367	2.1
116.92880	1.0
117.01927	1.9
119.03521	6.3
121.02942	1.3
123.08154	1.7
125.02453	4.9
128.03549	1.3
131.03500	2.1
133.02974	2.2
134.03726	3.1
135.04478	1.9
137.02405	2.9
143.03459	1.3
151.00401	1.4
151.04015	1.7
160.01651	3.8
161.02403	3.5
161.04579	5.3
163.11292	1.6
173.04497	2.1
175.02440	4.0
175.04005	4.3
176.04326	1.4
179.03481	1.5
179.05588	2.9
179.10825	2.1
189.12898	4.2
203.10823	3.0
206.09464	1.3
221.06645	2.4
221.11891	8.1
227.03426	3.7
228.03743	1.5
230.29611	1.5
255.03004	6.0
256.03345	3.3
263.07703	1.2
284.03214	5.6
285.03851	7.7
286.04068	2.2
287.04370	1.0
313.71982	0.9
323.09888	1.4
371.11221	1.3
401.12573	1.7
466.11053	2.3
474.62109	4.1
475.11865	1.6
563.23413	100.0
564.23608	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	563.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03458	2.8
59.01381	13.6
61.98832	15.0
69.03453	1.0
69.39101	1.3
69.39506	4.1
71.01383	8.7
73.02939	1.3
75.00889	0.6
83.01398	0.6
83.04996	0.6
85.02956	4.8
87.00862	1.1
88.98807	0.8
89.02438	6.7
95.05042	0.9
96.96011	1.7
97.02960	1.3
97.06602	3.4
98.45837	0.5
99.00865	0.7
99.04491	0.8
99.92564	1.1
101.02448	7.1
105.76245	0.5
109.37681	0.5
111.08161	0.6
113.02461	3.6
115.92070	2.2
116.92870	4.1
119.03492	2.5
124.44765	0.5
125.09709	1.4
127.11297	1.5
128.03505	0.6
137.09679	1.0
143.03464	1.4
143.04550	0.9
143.47470	0.6
153.05496	0.6
155.10797	1.8
161.04561	3.6
163.11343	0.5
165.12851	0.9
167.14490	0.7
171.10280	9.5
175.04048	0.6
177.12839	0.9
179.05597	1.3
181.12384	0.7
183.13913	4.8
185.11870	1.1
193.12360	0.9
195.13875	1.3
195.15799	0.5
197.11803	1.0
203.10789	0.6
209.11812	1.6
211.11426	1.0
211.13385	16.2
212.13696	1.0
221.11716	2.7
229.14453	12.2
230.14668	0.8
239.12943	2.9
253.09286	35.6
254.09723	1.3
291.19617	3.6
306.07632	0.9
309.20654	1.9
327.21750	100.0
328.22079	6.7
503.31757	0.8
531.00488	0.7
563.13568	0.6
563.31146	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	563.1417
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
55.01880	0.9
55.98639	0.8
57.03443	2.5
59.01382	13.2
61.84221	0.8
61.98823	2.6
71.01379	8.5
72.99294	1.8
73.02944	1.6
75.00877	2.2
77.90781	0.8
79.95729	0.9
83.01395	1.4
85.02960	4.6
87.00873	2.0
89.02453	5.6
93.03449	1.1
95.01374	1.6
96.95990	1.0
98.20655	1.5
99.00901	2.2
99.04530	3.0
101.02454	4.5
113.02448	8.1
116.92860	0.8
117.03502	4.7
117.69833	0.8
119.03526	1.4
119.05073	1.9
120.99664	1.2
125.02447	1.9
128.03535	1.7
134.03738	1.3
135.04504	1.5
139.96989	0.9
147.04520	0.9
151.00337	0.8
159.04486	1.0
161.02425	2.8
161.04553	2.4
163.03983	1.8
175.02611	1.4
175.04019	3.7
177.05592	1.9
179.05664	2.1
185.74155	1.0
191.03528	1.4
193.05070	1.4
203.03516	1.5
217.05194	1.1
227.03584	1.5
255.03006	3.7
256.03424	1.0
267.06589	1.0
268.07571	1.1
281.04391	1.3
282.05371	2.2
283.05936	4.0
284.03296	2.5
285.03824	2.1
285.13040	0.9
295.06125	4.4
296.06921	2.1
297.07657	18.0
298.08157	1.6
306.66989	0.8
307.06271	1.0
309.07666	1.8
311.05548	3.8
323.05701	3.9
324.06433	1.0
325.07153	8.4
328.05988	2.8
335.05774	1.4
337.07202	2.9
353.06650	34.1
354.07150	3.1
355.08368	1.2
356.05551	0.9
365.06784	5.0
367.08582	0.8
383.07700	23.0
384.08099	2.1
395.07693	2.5
397.09543	0.9
413.08698	2.1
425.09085	1.8
443.09805	9.9
456.74747	0.9
473.10953	6.4
474.62415	1.8
494.56650	0.8
545.13055	1.5
563.14148	100.0
563.23309	11.3
564.14508	11.4
564.23541	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	562.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55340	0.7
57.03446	8.6
58.02982	2.0
58.03789	0.8
59.01380	41.2
60.01708	1.3
61.98831	100.0
62.98563	0.7
63.99259	2.5
64.95248	0.9
66.86099	0.7
68.42527	0.6
71.01390	6.4
71.05047	0.7
71.61433	1.0
72.00430	0.6
72.00912	1.4
72.99322	0.9
73.01180	5.0
73.02938	1.0
74.02476	6.3
83.01403	1.5
85.02936	3.1
86.02470	3.9
87.00892	1.3
87.05649	1.4
89.02453	4.7
90.81482	0.6
95.01372	1.1
96.96004	1.0
97.04078	0.8
99.00906	1.8
99.04525	8.2
99.05598	4.9
100.00416	1.5
100.04889	0.8
101.02456	6.4
112.04080	0.7
113.02457	3.7
115.00362	1.1
119.03493	1.5
120.04581	0.7
125.02454	5.7
127.05135	1.2
128.03545	18.1
129.03923	0.8
133.03008	0.7
134.03738	1.9
135.05614	1.6
137.07193	0.7
141.06726	1.1
143.04617	23.6
145.06203	3.1
146.04587	1.9
153.06705	1.1
160.00726	3.0
160.01813	1.3
161.02426	1.2
161.04623	1.7
167.04626	1.0
167.08267	1.0
171.07756	4.3
174.01720	1.0
175.02429	2.5
175.04018	2.3
177.03485	1.2
179.04578	3.7
181.06206	1.1
185.05762	1.9
191.07207	1.0
192.07912	0.9
193.05084	2.0
199.07228	1.7
210.08916	3.3
220.03432	0.6
235.06015	1.6
244.09453	2.0
253.09294	1.4
254.07814	7.1
265.07162	0.8
270.36636	0.6
272.08859	20.4
273.09525	1.2
282.99634	0.9
284.03305	0.8
288.06686	1.8
295.08350	1.4
304.06061	4.2
305.08832	0.9
306.07648	30.7
307.07938	1.6
327.21875	2.7
328.09705	0.7
346.10760	12.6
347.11124	0.7
378.07785	3.9
395.08258	0.9
563.24780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29594	0.4
61.98826	1.9
70.04420	0.9
70.04810	1.4
75.23214	0.4
78.95910	7.7
85.06593	0.5
85.86736	0.5
87.94000	0.5
90.09029	0.4
103.75653	0.4
126.09419	0.5
140.01172	2.9
152.99617	1.0
155.14354	0.9
163.26366	0.4
165.12828	1.1
181.12358	0.9
196.03798	1.5
199.13388	24.0
200.13736	1.2
214.04846	3.8
221.45609	0.5
279.19751	2.3
347.25882	6.7
348.26013	0.6
363.25372	0.6
365.26941	100.0
366.27292	9.8
562.31464	21.0
563.31946	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	561.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
60.16139	0.9
60.65203	0.8
61.98831	70.0
66.83780	0.8
69.34816	9.5
78.95918	8.1
137.81412	1.0
140.01199	2.3
152.99493	1.2
155.18773	1.1
214.04887	3.0
247.90956	1.2
279.23291	100.0
280.23566	6.5
364.21021	4.0
476.27811	25.8
477.28006	2.1
561.25641	18.2
562.25592	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	562.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.6
58.02981	5.0
59.01383	64.6
60.01713	2.5
61.98832	100.0
63.96245	0.9
63.99248	2.4
64.95246	1.7
66.03503	1.1
69.03455	1.1
71.01386	10.3
71.22186	1.9
72.00925	2.2
73.01170	6.1
73.02947	2.3
73.98310	1.2
74.02480	12.1
78.17018	0.9
81.02188	1.0
82.02982	1.6
83.01386	1.8
85.02937	5.8
86.02483	10.4
87.00870	2.2
87.05628	1.7
88.04040	2.4
89.02446	4.6
90.00164	1.1
95.01373	1.3
97.04057	1.3
99.00899	1.7
99.04538	9.0
99.05625	9.3
100.00417	2.1
100.04852	1.1
101.02460	8.1
102.05619	1.7
104.98401	1.2
109.04070	2.1
111.05639	1.0
113.02458	7.3
114.00180	1.8
116.01794	1.1
119.03499	1.0
125.02437	3.2
125.03573	1.1
127.05154	3.2
127.08759	1.5
128.03552	41.6
129.03815	1.2
135.05687	2.0
141.06671	2.3
143.04631	45.4
145.06206	6.7
146.04585	2.7
153.06651	1.4
155.08205	1.7
160.00673	6.7
161.04572	2.5
166.09866	2.3
167.04637	2.7
167.08188	2.4
169.06154	0.9
171.04121	1.4
171.07767	8.5
174.01639	1.3
175.02446	1.8
177.03362	3.0
179.04608	7.9
181.06219	2.1
185.05678	4.2
193.05011	1.0
197.05676	1.5
199.07248	3.6
201.05228	1.1
210.08839	10.0
217.08235	1.9
244.09349	3.2
245.01222	1.0
253.09338	2.1
254.05370	1.3
254.07826	16.5
272.08896	35.9
273.09262	1.4
284.03223	1.9
285.03812	2.1
288.06738	4.4
304.06088	8.4
305.08679	3.4
306.07672	68.2
307.07928	3.2
327.21667	3.9
328.09747	3.0
346.10739	27.2
378.07938	5.5
395.08063	2.2
561.22021	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	561.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00722	1.2
54.46336	1.2
57.03448	81.5
57.97591	1.3
59.01379	100.0
61.98818	4.4
64.95241	1.5
69.59894	2.9
69.60299	7.1
71.01378	10.8
72.99307	1.4
73.01169	1.3
73.02956	6.1
75.00854	1.4
81.03456	2.3
83.01392	4.3
85.02946	5.4
87.00869	2.8
89.02464	7.5
89.02905	1.3
95.01373	1.3
96.92458	5.4
99.00871	5.8
99.04520	95.7
100.04899	1.7
101.02444	26.4
111.00888	3.6
112.98809	10.4
113.02439	5.1
115.00365	3.3
119.03499	3.7
123.04517	1.4
124.46975	1.3
125.02448	39.8
128.03513	1.2
131.03476	1.4
142.99852	7.7
143.03520	3.3
161.04501	4.9
173.00920	23.2
174.01695	14.6
175.02426	1.8
217.01712	6.6
245.01305	9.7
247.02815	23.4
272.08926	1.6
278.99994	2.5
285.04260	1.8
298.03775	2.3
310.97232	13.7
333.14783	1.3
373.18564	2.4
479.06387	1.6
487.83353	1.3
497.02502	7.0
501.19788	3.6
517.22571	2.0
525.01917	18.6
526.02374	2.3
560.99884	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	561.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70352	1.1
61.98830	80.1
65.49866	1.0
69.97980	2.4
69.98366	2.2
78.95900	25.2
85.79740	1.0
140.01224	6.3
152.99565	4.0
183.15210	1.1
196.03786	13.8
214.04892	2.0
279.23279	100.0
280.23651	7.6
305.91522	1.1
476.27838	64.3
477.28189	5.4
561.25537	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	561.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73518	0.6
57.03434	2.9
59.01379	71.7
59.72908	0.8
60.01724	0.8
61.98520	1.2
61.98831	22.2
62.35930	0.6
70.18325	1.4
70.18696	2.4
71.01388	2.5
81.03455	1.1
85.02967	1.0
87.00825	0.7
89.02447	1.7
97.06584	1.7
99.00880	1.0
101.02423	1.8
109.06576	2.8
110.15546	0.7
112.98799	1.0
113.02440	1.2
119.03574	0.7
121.03008	1.7
142.99919	0.8
165.12843	4.7
173.00865	1.1
174.01666	0.7
175.03966	0.7
188.50760	0.7
199.13235	0.7
199.36414	0.7
209.11824	100.0
210.12151	5.7
215.12849	0.9
227.12856	2.5
229.14511	1.0
232.70810	0.8
233.21872	0.7
253.09186	0.7
347.61237	0.8
473.12134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	84.2
59.01382	100.0
61.98838	9.1
69.80672	7.1
71.01389	11.5
73.02947	6.7
76.16776	1.0
79.95785	1.3
80.54925	1.2
81.03453	3.6
83.01395	2.8
84.88991	1.1
85.02952	5.9
87.00888	2.2
88.98827	1.3
89.02443	7.6
95.01390	1.5
96.96013	32.3
98.19959	1.3
99.00888	2.6
99.04520	92.0
100.04871	1.7
101.02444	26.0
113.02457	8.3
116.06921	1.1
119.03509	2.4
125.02447	41.0
128.03554	2.1
143.03526	3.2
161.04556	3.2
174.01645	1.1
223.13359	2.0
227.03444	1.7
255.02971	4.5
267.12302	4.1
284.03372	3.9
285.04022	3.5
300.02847	2.7
301.03677	1.4
373.18796	1.5
463.08798	2.2
471.70746	1.3
514.62933	1.1
520.27722	1.1
561.21838	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	561.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64399	1.6
56.57983	1.4
57.03449	44.5
59.01377	64.1
60.01680	2.0
61.98830	100.0
69.57477	3.5
69.57901	7.4
71.01376	8.4
72.99301	2.0
73.02949	2.8
73.05421	1.4
81.03476	3.0
85.02956	4.4
87.00884	3.6
89.02437	3.5
98.20689	3.3
99.04524	41.4
101.02457	13.9
113.02463	6.0
116.92862	2.0
119.03458	3.1
125.02445	26.6
134.03767	2.1
145.09814	1.9
151.74295	1.7
160.01617	3.1
161.04590	3.8
173.00935	2.6
174.01624	2.5
175.02518	1.7
175.04025	2.2
179.05600	2.5
193.05136	2.6
204.13927	1.7
226.54868	1.4
243.02940	2.5
255.02856	2.4
267.05374	1.5
271.02463	1.9
285.04047	1.7
314.04144	2.2
329.37537	1.5
331.17157	1.8
352.15744	1.6
373.18695	4.0
393.02988	1.6
561.15869	2.2
561.37476	9.4
575.65955	1.5
589.63715	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	561.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	94.7
59.01380	100.0
61.98833	32.1
69.70060	3.7
69.70467	5.1
71.01373	9.7
72.13628	1.8
73.01186	2.5
73.02939	4.7
81.03448	4.3
83.01377	2.6
85.02973	2.2
87.00914	1.7
88.99432	1.5
89.02439	4.8
98.20693	2.7
99.00871	7.1
99.04521	92.5
100.04849	2.2
101.02443	23.5
111.00872	2.0
112.98818	11.4
113.02412	3.4
115.19597	1.6
125.02453	37.1
128.03511	3.3
142.99861	6.1
143.03479	3.8
143.04591	4.2
161.04494	2.3
161.80759	1.6
173.00908	27.3
174.01689	36.2
175.02194	2.1
230.89861	1.7
237.02319	1.6
245.01228	11.5
247.02765	17.2
272.08884	2.7
278.99979	12.1
285.38565	1.9
306.08029	2.1
310.97189	29.8
331.17886	1.8
346.10950	2.1
373.18637	3.2
525.02118	7.7
560.99768	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	560.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76915	0.3
51.70287	0.3
57.03448	3.1
59.01382	5.0
61.98830	100.0
69.26842	3.5
71.01389	1.5
73.02930	0.5
85.02932	0.6
89.02444	0.7
95.01398	0.5
96.96025	0.5
99.00874	0.9
99.04509	2.9
101.02461	1.5
112.98828	1.8
113.02484	0.4
113.99216	0.4
122.69073	0.4
125.02457	1.5
128.00725	0.3
142.99872	0.5
160.01656	0.4
167.41815	0.4
173.00938	1.8
174.01564	1.9
175.02188	0.5
175.04027	0.7
193.04984	0.4
247.02914	0.7
248.03540	0.4
320.40149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
57.38752	0.3
59.01381	1.8
61.98830	100.0
70.26884	1.0
71.01394	1.0
73.01173	0.3
73.02957	0.4
75.06335	0.2
87.00901	0.3
89.02440	0.7
99.00908	0.5
99.04525	0.5
101.02390	0.6
112.98863	0.4
125.02482	0.3
128.03494	0.5
173.00842	0.4
174.01686	0.5
178.33136	0.2
181.65022	0.3
189.92712	0.3
209.11958	0.5
250.02400	0.3
253.09207	0.5
302.99509	0.3
325.20389	0.4
342.47104	0.3
399.90085	0.3
436.25845	0.3
492.16284	0.3
559.28058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82082	1.4
58.02971	10.5
59.01359	2.0
61.98834	26.3
62.11398	1.9
63.94473	9.4
63.96236	1.5
64.95252	30.1
67.00399	1.4
69.55347	3.5
69.55755	9.6
72.00907	2.2
74.02477	23.0
82.02974	5.0
86.02470	9.2
86.06150	2.9
87.05650	4.0
90.00178	1.9
94.47791	1.6
97.04050	3.0
99.05641	18.4
100.00397	2.7
101.07217	2.2
102.05590	2.3
104.98382	10.2
106.99960	25.9
109.04043	2.9
114.45104	1.8
116.01773	2.2
125.03580	1.9
127.05148	3.7
128.03542	70.9
129.03860	2.2
135.05632	4.4
137.07196	2.1
141.06717	3.5
143.04630	87.8
145.06197	2.5
146.02748	1.9
146.04549	8.3
153.06691	5.9
158.52666	1.8
160.00778	19.2
166.09865	2.9
167.04576	3.4
169.06183	2.3
171.07759	3.3
173.08257	1.8
177.03384	5.2
179.04625	16.7
181.06131	4.3
185.05730	4.8
197.05714	1.8
210.08836	21.3
222.80972	1.8
230.57599	1.5
231.04478	2.0
249.05568	4.9
254.07863	31.8
272.08875	69.1
273.09323	2.2
288.06644	15.7
304.06165	3.3
306.07654	100.0
307.07870	3.4
320.86859	1.8
338.40460	1.6
338.44815	2.0
360.06848	3.7
378.07996	25.9
379.08337	3.1
560.10614	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	561.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29690	1.0
61.98837	7.5
65.00313	2.9
71.61157	1.2
78.95893	3.2
81.90608	1.0
86.34010	1.2
93.81457	1.2
95.01395	1.8
111.00867	1.4
113.03970	1.2
117.03505	1.5
123.00894	1.7
127.96751	1.2
129.03476	1.5
135.00890	8.0
141.03445	7.8
145.02934	3.3
147.04507	2.5
152.99597	1.4
157.02959	4.2
161.02444	9.2
166.99869	3.2
169.02939	9.1
184.42781	1.1
185.02435	37.4
187.00380	3.5
189.01984	2.8
189.29327	1.2
197.02460	6.3
201.01910	1.3
203.03474	6.9
213.01920	28.8
214.02222	1.6
215.03461	1.9
217.01421	1.8
229.01410	13.9
241.01427	22.0
242.01804	1.5
257.00903	23.5
258.01236	1.5
285.00415	100.0
286.00742	4.7
303.01413	9.2
423.07220	40.0
424.07608	3.3
441.08298	3.9
467.41223	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	559.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41679	1.1
61.98834	82.9
68.49559	1.0
70.47688	2.7
70.48021	2.5
76.43645	1.2
76.61700	1.4
78.95908	10.4
86.40967	1.0
91.77836	1.4
111.54959	1.3
124.01684	1.8
140.01216	2.4
196.03606	1.3
202.90388	1.4
214.04840	3.3
277.21725	100.0
278.22076	6.8
362.19455	4.9
474.26254	35.0
475.26776	1.6
559.24048	20.9
560.24225	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22013	1.9
59.01379	6.3
59.29249	1.7
61.98830	100.0
62.96079	2.0
63.44927	1.8
65.93809	1.8
78.95902	32.5
83.03680	1.7
98.19755	4.4
109.40064	1.7
116.82890	1.9
118.91724	1.9
140.01138	4.7
152.99518	3.7
167.03514	1.7
196.03825	11.7
214.04878	2.9
253.09196	5.0
263.20135	32.9
277.21719	97.5
278.22046	6.5
328.29300	2.1
374.11700	2.0
439.05273	2.0
474.26273	73.6
475.26419	5.6
559.23767	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	559.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07568	1.4
54.96461	1.3
59.01381	14.9
61.98817	3.7
62.57014	1.5
66.25614	1.3
71.01395	4.1
71.61521	2.2
95.34871	1.4
96.64018	1.6
101.02446	3.7
104.95304	1.6
113.02454	1.6
119.03509	1.7
209.61247	1.4
235.08340	2.0
253.09300	12.7
263.20169	100.0
264.20578	6.6
309.03586	1.4
365.94101	1.6
519.64856	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	560.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01380	1.6
61.98831	100.0
69.33754	0.3
69.99488	0.2
70.99606	0.5
71.01420	0.5
73.01178	0.3
89.02438	0.2
99.04531	0.9
101.02441	0.5
107.21693	0.2
108.45084	0.3
125.02466	0.5
141.65437	0.2
143.04587	0.3
182.00734	0.3
257.66208	0.3
296.49020	0.2
346.10919	0.3
397.80484	0.3
408.49527	0.2
466.78864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29075	0.7
59.01374	1.1
61.98837	1.8
70.59935	1.0
71.67787	0.8
78.95905	13.3
95.24086	1.0
122.00135	1.1
140.01205	2.4
144.85437	0.9
152.99585	1.2
153.01898	1.9
196.03735	3.1
196.89514	1.2
214.04884	2.6
235.11084	0.8
279.23285	100.0
280.23709	5.9
318.13974	0.9
382.33911	0.9
476.27811	29.9
477.28018	2.9
544.19556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
59.01379	47.3
61.98821	6.8
69.78998	3.7
69.79414	4.9
71.01376	19.9
73.02952	8.8
74.89651	1.6
80.56213	1.3
81.03450	2.1
83.01395	2.7
85.02947	7.5
89.02430	4.5
98.20595	3.1
99.04517	83.7
101.01782	1.6
101.02443	26.4
113.02433	9.3
125.02457	39.8
129.02681	1.5
134.03731	8.2
141.72766	1.6
143.03464	3.1
149.06091	12.0
151.76352	1.6
159.05690	1.6
161.04530	4.4
167.07019	1.6
176.40315	1.4
203.05673	1.6
311.11377	16.7
329.12219	2.0
353.12357	27.9
354.12549	3.7
361.88849	1.6
371.13422	6.4
436.38629	1.6
436.44589	1.8
500.25012	1.7
522.12457	1.7
530.44244	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	558.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.8
57.74697	1.3
58.02950	4.6
59.01383	11.1
61.98832	8.9
69.35078	1.1
70.02953	3.7
71.01379	7.6
71.60825	1.3
73.02927	1.4
73.04050	2.4
73.37736	1.1
74.02473	2.7
82.02956	5.4
84.04515	1.9
85.02911	1.8
87.00855	3.3
87.05645	5.7
88.04008	3.9
88.61816	1.2
89.02438	2.5
96.00890	1.4
98.02491	1.7
99.04532	11.0
101.02409	4.7
101.07199	1.8
108.14033	1.3
109.04050	5.5
110.02437	2.0
111.00891	1.2
111.05614	1.6
112.04069	2.8
113.02474	3.0
113.07168	2.2
115.08759	2.2
116.07174	51.3
124.04037	8.7
125.02427	6.2
125.07143	2.1
127.05143	53.2
127.08759	2.9
128.03551	18.2
129.06660	5.2
129.10303	2.2
130.05052	3.6
130.08704	3.7
137.07172	2.8
138.05569	3.9
141.06715	5.6
143.11839	1.9
144.07744	1.6
145.06157	2.9
152.04726	5.2
152.93771	1.5
153.06618	1.8
154.07529	5.7
154.09802	2.9
155.08191	3.7
166.06168	3.7
167.03349	1.2
167.04575	4.9
167.07108	6.7
168.07704	2.2
171.13670	1.4
171.15031	18.8
172.10825	1.8
180.07727	5.2
181.06143	3.9
182.12865	1.2
183.11334	3.3
184.07216	5.1
185.05623	5.0
187.07161	1.7
196.10849	1.6
197.12857	3.4
198.08786	8.2
199.09726	1.8
200.13911	2.0
215.13963	8.8
215.66579	1.1
220.93198	1.0
222.12492	7.2
227.10400	2.1
228.17119	10.2
237.09772	1.3
237.12282	1.4
240.09827	3.5
240.13457	2.6
254.14992	3.0
255.10912	2.3
258.10907	9.0
272.16110	5.5
286.13907	2.1
298.14014	3.5
314.16833	1.7
326.17090	2.2
328.15228	2.6
339.20267	1.3
353.18143	1.3
376.85480	1.4
377.04886	1.2
383.19345	21.5
384.19507	1.9
396.19489	2.1
397.17166	3.9
427.21848	5.9
441.19968	1.4
452.24789	1.8
454.23029	5.7
496.24106	19.6
497.24075	2.1
514.25153	54.2
515.25659	6.2
528.29626	1.7
540.26624	13.2
558.27563	100.0
559.28156	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	558.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66852	0.8
52.16714	0.8
57.30600	0.7
58.02976	0.8
58.28705	0.8
59.01379	5.5
61.98830	100.0
63.99255	2.6
71.01378	2.6
71.61252	1.1
73.01183	1.1
73.02939	1.4
74.02469	2.1
80.47270	0.8
83.01371	1.9
85.02954	1.0
86.02484	1.3
86.57652	0.8
90.24114	0.8
96.96030	1.2
99.05629	1.5
100.00369	0.9
101.02454	1.6
104.98356	1.1
120.97937	0.8
121.02937	1.0
128.03529	8.5
136.97327	2.0
142.99849	1.9
143.04608	8.2
146.04524	0.9
160.00705	2.0
171.07768	1.8
173.00912	5.0
174.01703	63.3
179.04691	1.7
203.58345	0.8
244.09192	0.9
254.07861	2.5
272.08893	7.5
279.00027	32.8
280.00446	1.3
304.05969	2.6
306.07614	7.7
346.10724	5.9
557.34082	0.9
559.25940	3.8
578.69458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.09
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48558	1.2
58.02980	9.6
61.98834	11.4
63.94460	2.2
64.95252	6.7
69.85360	3.1
69.85780	4.9
71.01365	2.0
72.00914	2.0
73.01186	4.5
74.02471	21.1
82.02979	3.9
85.04121	1.3
86.02477	11.1
86.99084	1.4
87.05649	4.3
90.00190	2.8
90.02210	1.3
96.04539	1.7
97.04070	1.9
98.02507	1.2
99.05644	18.2
100.00407	2.4
101.07191	3.2
102.05625	2.9
104.98390	47.3
107.06184	1.7
109.04076	2.2
112.04036	2.9
117.05735	1.3
123.05672	2.0
124.04089	1.3
125.03490	2.0
127.05149	2.8
128.03539	66.6
128.12601	1.4
131.04617	1.6
132.24501	1.2
135.05647	5.8
136.95628	3.0
137.07202	2.0
141.06703	5.9
143.04630	81.8
144.87544	1.4
145.06189	3.5
146.02815	3.0
146.04558	8.2
153.06688	6.6
160.00729	15.6
166.09850	2.9
167.04694	6.2
167.08224	2.7
169.06155	2.8
170.03453	1.6
171.07790	3.5
175.01825	1.7
177.03438	4.3
179.04620	14.9
181.06216	2.0
185.05672	4.7
189.25655	1.3
190.55150	1.5
197.05768	3.5
210.08856	14.1
211.09058	1.4
228.09967	1.6
249.05580	3.5
254.07835	23.2
272.08859	62.7
273.09183	2.9
288.06616	11.4
304.06088	3.2
305.08777	1.8
306.07651	100.0
307.07831	4.0
360.06897	1.8
366.51901	1.3
378.08038	26.1
444.89203	1.5
452.09348	1.6
453.59030	1.4
549.49799	1.6
558.09271	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	558.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66852	0.8
52.16714	0.8
57.30600	0.7
58.02976	0.8
58.28705	0.8
59.01379	5.5
61.98830	100.0
63.99255	2.6
71.01378	2.6
71.61252	1.1
73.01183	1.1
73.02939	1.4
74.02469	2.1
80.47270	0.8
83.01371	1.9
85.02954	1.0
86.02484	1.3
86.57652	0.8
90.24114	0.8
96.96030	1.2
99.05629	1.5
100.00369	0.9
101.02454	1.6
104.98356	1.1
120.97937	0.8
121.02937	1.0
128.03529	8.5
136.97327	2.0
142.99849	1.9
143.04608	8.2
146.04524	0.9
160.00705	2.0
171.07768	1.8
173.00912	5.0
174.01703	63.3
179.04691	1.7
203.58345	0.8
244.09192	0.9
254.07861	2.5
272.08893	7.5
279.00027	32.8
280.00446	1.3
304.05969	2.6
306.07614	7.7
346.10724	5.9
557.34082	0.9
559.25940	3.8
578.69458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08320	0.1
59.01377	0.2
61.98830	100.0
62.98506	0.1
69.39178	0.8
78.95914	0.6
79.02649	0.1
116.92880	0.2
121.39021	0.1
152.99583	0.3
154.12692	0.1
178.39270	0.1
210.20277	0.1
224.06862	0.1
255.23318	1.5
256.23615	0.6
257.23920	0.3
258.24274	0.2
282.41040	0.1
409.23108	0.1
480.30951	0.9
481.31506	0.2
482.31613	0.2
483.32135	0.3
493.00464	0.1
557.32269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	98.9
58.00602	0.4
58.03786	1.2
59.01381	57.3
59.28003	0.4
59.89968	0.4
60.42551	0.4
61.98832	23.2
64.95250	0.7
69.03461	1.4
71.01385	13.6
71.01763	0.8
71.61423	0.4
72.99315	0.6
73.02950	13.2
75.00873	0.7
81.03455	3.9
83.01391	4.3
85.02959	2.7
89.02444	1.5
90.26959	0.4
95.01427	0.7
97.02951	1.6
98.33104	0.4
99.00895	0.9
99.04523	100.0
100.04863	1.8
101.02449	30.2
102.02791	0.7
104.34601	0.4
109.19997	0.4
112.98810	1.5
113.02441	5.1
116.92864	0.9
119.03460	1.1
123.04498	1.6
125.02449	42.2
126.02777	0.9
128.03525	0.6
129.01840	0.4
131.03499	1.5
141.05597	1.1
142.99844	0.8
143.03506	6.2
143.04564	0.9
149.04510	0.8
153.05576	0.5
155.03513	1.6
161.04567	2.8
170.07982	0.5
173.00891	2.5
174.01700	4.9
203.05672	3.6
210.81732	0.4
221.06618	0.6
222.05740	0.4
245.01193	0.5
247.02739	1.4
249.00621	0.6
272.08621	0.4
279.00107	1.0
306.07642	1.1
375.39578	0.5
378.08200	0.5
398.14655	0.4
457.24521	0.5
458.13083	0.6
557.25592	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03447	68.0
58.03786	0.8
59.01377	100.0
59.49182	0.2
60.01715	0.7
61.98824	0.5
69.50017	1.5
71.01382	2.1
73.02943	0.9
79.72655	0.2
81.03452	3.3
83.01401	0.5
85.02957	1.0
89.02457	0.7
94.72705	0.2
99.04516	97.9
100.04848	2.1
101.02441	11.1
102.02808	0.2
113.02471	0.8
125.02444	44.9
126.02801	1.1
142.78877	0.2
143.03522	2.3
143.04596	0.4
161.04536	0.7
174.01672	0.4
199.82408	0.2
209.15475	0.9
252.98940	0.2
306.07587	0.8
353.19568	0.9
371.20630	1.0
395.20663	0.8
413.21765	3.3
414.21814	0.3
455.22733	0.8
513.26892	0.2
557.26172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33596	0.2
55.01881	0.2
55.05524	0.2
57.03449	86.7
58.00586	0.3
58.03791	1.2
59.01380	63.1
60.01710	0.5
60.96452	0.2
61.98830	4.5
63.94454	0.2
64.95277	0.2
69.03465	0.4
69.51201	1.2
71.01384	8.5
72.01716	0.2
72.99310	0.5
73.02949	8.0
74.03305	0.2
75.00858	0.5
81.03462	3.7
83.01388	3.1
85.02959	1.7
87.00889	0.3
89.00674	0.3
89.02442	1.6
95.01381	0.5
96.96011	0.3
97.02949	0.8
98.19771	0.3
99.00893	0.9
99.04520	100.0
99.92577	0.2
100.04846	1.9
101.02444	23.7
102.02802	0.4
105.98759	0.2
108.02143	0.2
109.06618	0.2
111.00857	0.3
112.98831	1.0
113.02449	3.6
113.21441	0.2
114.02844	0.2
116.92861	0.8
117.81860	0.2
119.03481	0.7
123.04529	1.1
125.02445	38.3
126.02776	0.9
126.47867	0.2
127.04079	0.3
129.00182	0.2
131.03491	0.6
132.80898	0.1
137.02397	0.2
141.05576	0.5
142.99829	0.5
143.03511	3.8
143.04579	0.4
149.04539	0.5
153.05598	0.2
155.03543	0.8
161.04559	1.8
161.47108	0.2
173.00890	1.9
174.01704	3.5
203.05620	1.6
221.06651	0.4
245.01190	0.6
247.02789	1.2
249.00838	0.4
268.70035	0.2
278.99973	0.8
306.07544	0.5
413.21652	0.7
479.18958	0.3
557.25983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56061	0.9
57.03448	15.0
59.01384	17.1
59.96392	1.0
61.98834	11.9
63.94465	12.7
63.96255	1.8
64.95244	1.6
70.43577	4.0
70.99622	1.2
71.01398	8.5
73.01180	1.7
73.02944	1.9
77.68472	0.9
82.99641	1.1
83.01390	3.7
85.02950	5.8
87.00853	1.4
96.92460	1.3
98.19920	1.0
99.00888	18.6
99.04511	18.0
100.04864	1.1
101.00716	1.2
101.02438	4.6
111.00874	7.4
112.98809	67.5
113.02469	1.2
113.99143	1.4
115.00377	2.8
123.04517	2.2
124.98841	1.2
125.02437	6.8
126.98586	2.2
128.89705	1.8
129.00182	1.2
129.01892	1.7
132.88748	1.0
135.47128	1.0
141.05530	1.3
142.99863	31.7
145.01425	3.8
154.92136	1.0
166.04912	1.1
173.00908	100.0
174.01683	60.7
201.02141	1.5
211.13254	1.3
213.04036	3.6
217.01779	4.1
245.01242	15.2
247.02789	47.7
248.03098	2.6
277.63461	1.0
277.99161	4.5
279.00015	26.1
290.97397	1.2
310.97211	24.0
342.94516	2.1
496.29602	1.4
557.27124	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	557.133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
59.01391	2.9
61.98833	7.3
71.01391	1.7
71.60883	0.5
80.09252	0.6
89.00693	0.5
96.96023	0.6
99.00896	1.5
99.04520	0.7
99.92588	15.9
100.92677	0.5
100.93372	1.2
101.02426	0.6
109.94335	0.5
115.92086	22.5
116.31501	0.5
116.92863	100.0
117.92878	3.7
125.02422	0.7
137.02467	0.5
140.92839	1.1
142.94472	0.9
148.04036	0.5
156.92372	0.7
161.04524	0.4
168.00630	0.6
173.00871	0.5
174.01721	1.7
174.93405	0.6
179.20656	0.5
184.91869	3.1
209.15422	0.5
245.01111	0.7
262.76498	0.5
293.22711	0.5
313.88962	0.5
329.99414	0.5
435.11163	1.2
453.12152	3.5
459.57297	0.6
471.13315	4.6
483.13470	0.7
495.13232	2.5
513.14307	5.8
514.14410	0.7
521.11383	1.0
557.13190	19.9
558.13348	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	557.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.7
57.03454	5.3
58.00601	2.9
59.01381	67.2
60.01727	0.5
61.98835	2.9
67.57068	0.4
68.99813	0.6
69.03457	1.5
69.65302	2.9
71.01384	73.2
72.01749	0.9
72.99313	5.7
73.02947	25.6
74.03288	0.4
75.00874	3.9
81.03465	0.8
82.02986	0.5
83.00890	0.9
83.01392	16.9
83.05026	0.4
84.02179	0.5
85.02953	31.9
86.00100	1.0
86.03284	0.4
87.00877	4.2
87.04527	0.4
87.08122	0.4
89.02445	36.6
89.17698	0.4
95.01382	6.4
95.75046	0.4
97.02956	2.5
97.04058	0.5
99.00883	8.0
99.04523	1.9
99.05659	0.6
101.02444	75.1
102.02790	1.3
103.04033	1.1
109.02951	1.6
109.04102	0.5
111.00893	1.7
113.02448	27.4
115.04001	0.7
116.07162	1.1
119.03506	15.5
125.02463	3.2
127.04018	6.1
127.05138	1.6
128.03534	2.7
129.01938	2.5
130.08725	0.6
130.69141	0.4
131.03534	2.1
143.03508	3.6
143.04547	0.8
145.05057	2.1
149.04549	1.5
151.03990	0.5
159.02991	4.9
161.04559	21.0
162.04893	0.5
163.04117	0.5
163.06146	1.1
175.18294	0.5
179.05620	6.4
215.14157	0.6
221.06630	0.6
222.12463	0.6
229.07304	0.5
235.08260	0.5
245.06549	0.6
247.08278	2.2
249.13434	55.3
250.13875	2.4
263.07654	2.9
289.09253	0.5
293.12592	0.6
304.06128	1.6
305.06412	0.9
306.07452	0.4
307.10440	3.5
367.12442	0.6
377.18158	0.6
393.74103	0.5
395.19205	87.6
396.19482	6.9
409.13751	0.6
514.25006	0.9
538.41779	0.6
557.24469	100.0
558.24707	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	557.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97174	0.6
55.01885	3.7
57.03450	4.0
58.00588	3.3
59.01380	59.3
61.98830	3.3
69.03461	1.6
71.01383	66.9
71.61417	0.7
72.01724	1.0
72.99308	4.6
73.02946	20.1
75.00869	3.7
81.03458	0.9
83.01388	15.9
83.05039	0.5
85.02950	32.2
86.00102	1.3
87.00863	4.6
87.05664	0.6
89.02445	31.4
95.01388	4.2
97.02959	2.0
99.00890	7.9
99.04516	2.3
101.02444	68.5
102.02774	1.4
103.04044	1.3
109.02939	0.6
109.04063	0.7
111.00905	1.1
113.02449	26.3
115.03984	0.7
116.07185	1.0
119.03500	15.2
125.02450	2.9
127.04015	5.7
127.05119	1.8
128.03569	2.7
129.01932	2.1
131.03499	1.7
141.01964	0.7
143.03516	4.5
145.02975	0.6
145.05057	1.4
149.04556	1.4
159.02988	3.7
161.04556	21.2
163.06142	1.0
179.05618	6.0
205.03456	0.9
221.06647	0.8
235.08217	0.8
245.06662	1.2
247.08302	2.0
249.13425	49.7
250.13797	2.4
254.07643	0.5
263.07654	3.2
304.06134	1.1
305.06424	0.9
306.07797	0.7
307.10498	3.1
312.15536	0.8
377.17963	0.6
383.18814	0.7
395.19199	86.2
396.19550	6.7
396.42630	0.5
409.13858	0.7
496.24081	0.6
514.25110	1.5
557.24463	100.0
558.24756	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	556.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70829	1.0
55.01872	2.8
57.03442	4.4
58.00590	2.9
58.02962	2.8
59.01381	51.6
60.97521	3.0
61.98830	27.2
69.03441	2.0
71.01383	60.0
71.60535	1.5
72.00916	1.4
72.99310	4.9
73.02948	15.9
74.02473	7.4
75.00886	3.4
80.71504	1.0
82.02972	2.8
83.01390	12.8
83.49883	1.1
85.02952	28.1
85.04049	1.6
86.02534	2.6
87.00882	5.9
87.05627	2.4
89.02453	29.4
95.01385	5.4
97.02961	3.6
97.04073	10.1
99.00888	9.2
99.05637	3.7
100.00401	3.4
101.02445	58.1
102.00198	4.6
102.05556	1.1
105.99689	10.6
107.04983	1.0
109.02937	1.4
109.04111	1.3
111.00916	1.6
113.02453	24.3
113.03310	1.5
113.03586	1.9
114.00153	1.3
119.03493	11.2
119.05030	1.4
125.02444	3.6
125.03427	1.2
127.04026	5.5
127.05047	1.5
128.03540	38.2
129.01913	1.6
131.02808	1.3
135.04625	1.2
135.05624	2.8
139.05182	1.1
141.03041	3.2
142.72382	1.0
142.99944	9.0
143.03485	3.2
143.04611	16.8
145.05023	1.9
145.06129	1.6
146.04572	1.7
151.00368	1.2
151.05048	1.9
153.06712	4.2
156.34435	1.0
159.02953	3.4
160.00690	9.1
160.01645	1.0
161.00983	3.6
161.02362	1.6
161.04576	18.3
166.90276	1.1
167.04697	1.6
169.06129	2.5
174.01730	1.3
175.01799	10.3
175.04036	1.3
177.03391	1.7
179.04361	5.2
179.05713	3.4
181.04984	2.6
182.09308	1.2
197.05658	6.3
210.08847	3.1
225.27266	1.3
226.08360	3.3
247.08211	2.7
249.13411	41.3
254.07823	4.6
255.02858	1.9
260.99719	1.1
263.07648	3.1
271.02466	1.9
272.08868	7.4
284.72214	1.4
285.03778	1.2
286.04944	3.9
288.06702	2.1
300.02908	1.7
301.03281	1.3
304.06076	63.9
305.06424	4.0
306.07632	36.6
307.10629	2.5
395.19205	81.4
474.12659	1.5
474.62189	5.0
475.12280	1.2
555.34009	6.3
556.33887	3.6
557.24451	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	556.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70829	1.0
55.01872	2.8
57.03442	4.4
58.00590	2.9
58.02962	2.8
59.01381	51.6
60.97521	3.0
61.98830	27.2
69.03441	2.0
71.01383	60.0
71.60535	1.5
72.00916	1.4
72.99310	4.9
73.02948	15.9
74.02473	7.4
75.00886	3.4
80.71504	1.0
82.02972	2.8
83.01390	12.8
83.49883	1.1
85.02952	28.1
85.04049	1.6
86.02534	2.6
87.00882	5.9
87.05627	2.4
89.02453	29.4
95.01385	5.4
97.02961	3.6
97.04073	10.1
99.00888	9.2
99.05637	3.7
100.00401	3.4
101.02445	58.1
102.00198	4.6
102.05556	1.1
105.99689	10.6
107.04983	1.0
109.02937	1.4
109.04111	1.3
111.00916	1.6
113.02453	24.3
113.03310	1.5
113.03586	1.9
114.00153	1.3
119.03493	11.2
119.05030	1.4
125.02444	3.6
125.03427	1.2
127.04026	5.5
127.05047	1.5
128.03540	38.2
129.01913	1.6
131.02808	1.3
135.04625	1.2
135.05624	2.8
139.05182	1.1
141.03041	3.2
142.72382	1.0
142.99944	9.0
143.03485	3.2
143.04611	16.8
145.05023	1.9
145.06129	1.6
146.04572	1.7
151.00368	1.2
151.05048	1.9
153.06712	4.2
156.34435	1.0
159.02953	3.4
160.00690	9.1
160.01645	1.0
161.00983	3.6
161.02362	1.6
161.04576	18.3
166.90276	1.1
167.04697	1.6
169.06129	2.5
174.01730	1.3
175.01799	10.3
175.04036	1.3
177.03391	1.7
179.04361	5.2
179.05713	3.4
181.04984	2.6
182.09308	1.2
197.05658	6.3
210.08847	3.1
225.27266	1.3
226.08360	3.3
247.08211	2.7
249.13411	41.3
254.07823	4.6
255.02858	1.9
260.99719	1.1
263.07648	3.1
271.02466	1.9
272.08868	7.4
284.72214	1.4
285.03778	1.2
286.04944	3.9
288.06702	2.1
300.02908	1.7
301.03281	1.3
304.06076	63.9
305.06424	4.0
306.07632	36.6
307.10629	2.5
395.19205	81.4
474.12659	1.5
474.62189	5.0
475.12280	1.2
555.34009	6.3
556.33887	3.6
557.24451	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	555.284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29927	0.5
59.01372	1.0
59.08745	0.5
69.03478	0.5
69.44170	4.6
71.01378	5.4
73.02946	1.3
78.98582	5.5
79.95744	8.2
80.96516	56.3
85.02946	1.8
87.00864	1.7
94.98085	11.4
96.96003	1.2
97.02945	1.5
101.02447	2.1
106.98086	2.0
122.97578	4.6
125.02433	2.4
127.04000	1.0
134.97542	4.1
136.99110	0.8
148.99156	5.0
152.98631	5.4
164.98618	10.0
167.00266	0.6
182.99619	1.4
188.98743	0.8
206.99677	2.4
225.00713	14.6
226.01010	0.9
243.01822	1.9
255.23279	2.4
260.45026	0.6
299.04498	2.3
319.66769	0.7
348.56549	0.7
386.70984	0.7
451.62314	0.7
555.28394	100.0
556.28821	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	555.2846
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.68179	0.4
57.03446	0.6
59.01383	0.6
60.09211	0.4
63.96246	1.2
69.03458	0.5
70.74534	0.6
70.74866	0.8
71.01387	7.8
73.02953	1.6
78.98595	6.6
79.95740	10.4
80.96521	69.9
81.03465	0.9
85.02956	2.5
87.00860	1.9
91.69592	0.4
94.98092	15.2
96.96019	1.2
97.02950	1.2
99.00892	0.4
101.02457	2.1
106.98103	3.5
113.02444	0.6
122.97590	2.6
123.37667	0.4
125.02454	3.3
127.04028	0.6
134.97610	4.5
136.99139	2.0
146.97691	0.5
148.98093	0.7
148.99165	6.5
152.98631	4.4
153.62180	0.4
162.20053	0.5
164.98643	11.7
167.00229	0.6
206.99660	2.1
225.00737	14.3
255.23334	1.7
299.04398	2.6
306.39572	0.4
316.05753	0.4
555.28418	100.0
556.28790	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	556.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.52345	1.7
69.52777	1.0
98.19884	0.8
119.60442	0.3
161.19675	0.4
184.26530	0.4
558.63831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47068	0.3
52.75846	0.3
59.01373	0.6
60.85456	0.3
61.98831	100.0
69.38258	2.6
69.38661	0.5
101.02510	0.3
102.14777	0.3
130.20505	0.3
149.59837	0.3
463.89581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70176	0.2
53.95735	0.2
54.35412	0.2
57.03459	0.3
57.56799	0.2
59.01378	0.7
61.98830	100.0
70.61170	0.6
71.01378	0.4
96.15899	0.2
99.04540	0.4
101.02428	0.3
108.08186	1.4
116.07153	0.2
130.08768	0.5
143.03455	0.2
147.52975	0.2
152.07133	1.5
166.08768	0.6
177.00323	0.2
194.08185	0.2
196.06207	0.9
238.07320	0.3
291.82056	0.2
340.22412	0.3
358.11395	2.4
402.20468	0.3
512.43311	0.2
555.34778	0.5
556.29755	0.3
575.63477	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78147	1.1
57.03447	2.3
58.00592	4.8
59.01380	98.0
60.01725	1.3
61.98834	6.7
66.97324	1.2
68.99892	1.1
69.29279	11.7
71.01380	62.9
72.99307	4.4
73.02940	3.5
73.40006	1.2
75.00787	1.1
82.26163	1.2
83.01385	4.4
84.62856	1.1
85.02955	12.6
87.00896	6.0
87.92227	1.3
89.02448	100.0
93.03430	1.7
95.01395	5.5
97.02953	1.1
98.19873	2.2
99.00876	1.8
101.02444	45.1
113.02461	28.6
119.03506	40.4
121.02937	4.1
122.03742	7.7
125.02475	1.9
131.03496	4.1
132.02142	1.4
133.02953	2.0
134.03738	1.5
136.01706	2.1
143.03528	7.6
149.02444	19.9
149.04544	3.8
150.03229	58.4
151.00566	2.1
156.14458	1.5
160.01691	1.4
161.02385	2.6
161.04517	6.4
164.04825	9.4
165.05568	50.6
174.03337	1.5
179.05592	15.9
179.07147	6.3
180.04326	2.4
193.05084	3.4
195.06621	25.6
196.07089	1.8
209.09413	1.3
227.03546	1.7
255.02972	3.3
271.02505	1.6
281.54242	1.5
284.03381	4.0
285.03842	2.1
312.05255	1.4
312.10107	2.0
327.12378	10.9
355.07257	1.4
359.13446	4.0
375.20245	3.9
379.10486	1.5
473.10788	1.7
473.62039	4.2
474.11423	4.9
507.18777	4.9
555.20374	5.9
555.26721	14.2
555.34143	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	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83206	0.4
58.86368	0.4
59.01371	1.0
61.98821	0.6
70.99600	0.5
70.99954	0.9
78.95903	24.4
124.40075	0.5
127.51707	0.4
152.99600	2.5
165.11981	0.5
168.04320	3.5
169.74683	0.4
172.01097	0.5
224.06923	9.1
242.07990	1.8
261.22141	0.7
279.23273	100.0
280.23590	7.5
326.15009	0.4
345.82758	0.4
385.40759	0.5
495.63763	0.6
504.30954	69.9
505.31372	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	554.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73795	0.4
61.98833	100.0
71.01389	1.3
71.33286	0.6
78.98618	1.3
79.95734	2.8
80.96519	15.1
83.96355	0.4
85.02973	0.6
87.00900	0.5
92.09257	0.4
94.98088	3.4
98.00764	0.4
106.98080	0.9
134.97586	0.9
148.99193	1.0
149.68896	0.4
152.98599	0.5
164.98671	2.8
183.59898	0.5
206.99667	0.9
225.00713	4.1
255.23346	1.2
257.24069	0.6
299.04462	0.9
439.27335	0.5
488.45837	0.5
555.28430	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34016	0.3
58.23615	0.3
58.33481	0.3
59.01379	21.2
68.73692	0.3
69.34791	1.6
69.35217	0.9
73.62856	0.2
78.95904	18.8
83.15752	0.2
96.97009	0.4
98.19900	0.5
116.99846	0.3
122.98567	0.4
152.99600	2.9
168.04286	2.8
224.06898	7.4
237.22130	0.3
242.08008	2.0
255.23285	100.0
256.23630	6.5
409.24313	0.3
480.30939	61.7
481.31299	6.2
543.77997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.5
61.98816	2.4
70.14088	1.7
72.29707	0.5
78.95896	4.7
80.96516	0.8
98.19897	0.7
104.27365	0.6
152.99631	1.0
156.74202	0.4
168.04301	1.3
204.00642	0.5
224.06978	1.1
242.07977	2.7
249.80949	0.5
255.23283	100.0
256.23599	6.2
279.23318	2.3
293.18167	0.5
313.04129	0.4
480.30917	29.5
481.31332	3.6
504.30765	1.6
554.27362	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	554.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
58.00599	0.1
59.01374	1.3
61.98830	100.0
62.98552	0.1
71.01385	0.9
71.61597	0.1
73.02955	0.4
75.00865	0.1
83.01390	0.2
85.02965	0.5
87.00932	0.1
89.02447	0.6
99.00926	0.1
99.04516	0.1
101.02435	0.6
113.02468	0.5
119.03473	0.3
119.05016	0.2
125.02476	0.2
126.88361	0.1
134.03773	0.3
136.01634	0.1
143.36029	0.1
151.00429	0.2
160.01672	0.4
166.03358	0.3
174.35262	0.1
175.02582	0.2
175.04018	0.5
179.05595	0.2
193.05199	0.2
211.03912	0.1
221.12823	0.1
227.03506	0.2
249.42786	0.1
255.02991	0.5
283.02515	0.1
284.03342	0.3
285.03976	0.6
391.27145	0.1
393.41589	0.1
553.32544	1.5
554.14490	0.9
554.32837	0.6
554.65027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	11.4
59.01372	14.8
61.98832	56.6
71.01389	4.6
74.00726	5.7
74.02480	28.3
79.95715	4.5
82.02965	4.9
86.02464	12.7
86.99107	4.6
87.05659	5.5
94.64024	3.2
96.95999	13.4
97.01221	4.2
99.05621	18.3
100.00411	12.6
101.00645	5.4
102.05608	6.3
104.98414	10.2
106.54004	4.0
109.04111	6.8
109.07765	4.6
112.04000	3.7
123.05643	4.7
125.02405	3.3
125.03502	5.0
127.05088	6.0
128.03548	88.4
135.05632	3.7
141.06755	4.7
142.99954	63.6
143.04614	98.9
145.06143	4.9
146.04585	12.2
153.06636	6.2
160.00722	11.5
166.09955	3.8
167.04582	8.4
167.08086	4.2
169.06172	9.6
175.02748	18.1
177.03410	4.9
179.04686	18.5
185.05574	6.3
203.05022	4.9
210.08852	28.0
249.03583	9.2
254.07831	33.3
272.08875	86.9
273.09241	4.6
286.05081	7.5
288.06519	9.6
304.06140	12.6
306.07666	100.0
378.07935	49.7
554.19379	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	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03185	0.3
55.03855	0.3
59.01380	0.5
59.36000	0.3
61.98826	0.5
69.12231	0.3
69.27885	2.9
78.95905	6.0
91.30763	0.3
152.99585	1.0
160.85133	0.3
168.04344	1.8
191.31293	0.3
224.06956	0.9
242.07974	2.8
261.22156	0.6
279.23276	100.0
280.23618	7.0
289.91171	0.3
342.00583	0.3
504.30960	30.7
505.31351	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	553.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48803	4.2
57.03432	16.5
59.01387	60.7
61.98831	100.0
70.51703	3.9
71.01369	31.1
73.02939	8.4
78.10727	4.3
81.24493	4.4
83.01391	4.7
85.02978	12.3
87.00897	6.2
88.98820	12.4
89.02450	24.6
89.12632	4.3
93.03477	4.9
98.19866	7.1
99.00852	6.1
99.04513	19.4
101.02443	26.6
112.98806	16.0
113.02431	14.6
119.03498	11.6
121.02917	5.9
125.02425	14.5
135.04504	5.0
142.99873	11.9
151.03989	5.3
157.12413	4.2
161.04601	8.1
164.96046	4.3
166.07671	4.9
173.00848	19.9
174.01698	58.6
175.02290	5.3
180.95937	4.9
279.00046	28.2
365.17935	5.6
391.22781	5.9
391.27097	74.8
401.22037	5.6
493.04797	12.1
505.18625	5.3
518.64709	5.5
552.30859	12.1
553.32263	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	553.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00539	1.2
54.04015	1.2
59.01369	7.0
61.98833	14.1
71.01379	4.7
71.60871	1.9
72.99312	1.5
74.02458	1.9
75.00875	1.1
82.02955	1.4
85.02953	3.5
87.00885	1.9
89.02445	5.4
91.50801	1.1
95.01370	1.5
97.04063	2.6
99.04495	1.3
101.02452	2.9
105.99697	1.9
113.02460	3.5
119.03512	1.9
121.02976	1.3
128.03564	8.4
129.03830	1.5
134.02727	1.5
134.03746	29.9
137.02422	5.6
143.03543	1.5
143.04594	4.1
149.06087	11.7
150.03233	2.6
160.01706	12.2
161.02336	2.1
161.04550	1.6
175.04004	16.6
178.02737	19.9
193.05061	100.0
194.05367	3.6
211.06088	1.5
218.99289	1.1
227.03595	1.5
255.02989	3.0
272.08813	4.7
284.03214	1.5
304.06064	8.2
305.06467	7.3
355.10309	32.6
355.14532	3.0
356.10544	2.8
397.11395	1.8
553.22058	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84632	1.4
57.03184	2.4
57.03454	40.0
59.01383	100.0
59.18650	1.4
61.98832	9.8
66.75969	1.3
71.01383	20.9
71.61542	1.6
71.61898	1.5
73.02948	5.4
81.03439	3.9
83.01403	3.1
85.02959	6.7
87.00877	2.2
88.27729	1.2
89.02453	12.8
92.95910	1.4
95.01385	2.9
96.96011	1.9
97.02930	1.2
99.00866	2.7
99.04522	50.2
101.02453	22.4
108.48106	1.6
112.98847	1.6
113.02445	7.6
115.00401	1.6
119.03490	5.7
125.02451	36.4
126.02682	1.6
128.03537	1.5
129.09190	2.1
131.03455	1.4
143.03453	3.1
159.02989	1.3
160.01651	2.9
161.04590	6.5
161.11786	1.9
165.05620	2.2
166.03296	4.4
168.04842	5.2
175.02441	4.1
175.03902	3.3
179.05565	5.4
181.20908	1.2
190.56158	1.5
196.98828	1.2
203.05556	1.5
211.41847	1.3
221.06793	2.0
255.02698	1.4
284.03369	2.8
285.04102	1.5
305.16135	8.2
323.17209	8.9
331.17633	2.5
333.37796	1.6
365.18143	21.1
366.18600	2.3
438.03201	1.5
493.22787	6.8
553.33081	7.0
554.14301	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	554.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
58.00599	0.1
59.01374	1.3
61.98830	100.0
62.98552	0.1
71.01385	0.9
71.61597	0.1
73.02955	0.4
75.00865	0.1
83.01390	0.2
85.02965	0.5
87.00932	0.1
89.02447	0.6
99.00926	0.1
99.04516	0.1
101.02435	0.6
113.02468	0.5
119.03473	0.3
119.05016	0.2
125.02476	0.2
126.88361	0.1
134.03773	0.3
136.01634	0.1
143.36029	0.1
151.00429	0.2
160.01672	0.4
166.03358	0.3
174.35262	0.1
175.02582	0.2
175.04018	0.5
179.05595	0.2
193.05199	0.2
211.03912	0.1
221.12823	0.1
227.03506	0.2
249.42786	0.1
255.02991	0.5
283.02515	0.1
284.03342	0.3
285.03976	0.6
391.27145	0.1
393.41589	0.1
553.32544	1.5
554.14490	0.9
554.32837	0.6
554.65027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99798	0.2
54.21035	0.2
57.03450	0.4
59.01379	1.6
60.26624	0.2
61.98830	100.0
69.56405	1.4
69.57784	0.2
71.01389	0.8
73.01173	0.2
83.01378	0.3
85.02960	0.4
86.62142	0.2
89.02454	0.5
96.95962	0.2
98.20592	0.4
101.02444	0.6
101.91878	0.2
104.98367	0.2
107.01395	0.2
108.02199	0.8
113.02510	0.2
151.03987	0.2
152.01213	0.5
223.10788	0.2
255.02855	0.2
285.03906	0.2
315.07193	0.2
393.54813	0.2
440.34409	0.2
490.66959	0.3
535.68616	0.2
552.11536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55503	0.3
59.01381	1.1
61.98827	1.1
70.05593	1.4
78.95904	7.1
96.45667	0.3
152.99593	1.4
154.02307	0.4
168.04315	2.0
169.90556	0.3
191.66895	0.3
224.06932	1.1
229.87405	0.3
242.08018	3.4
243.08234	0.3
259.20905	0.4
275.20139	0.9
277.21713	100.0
278.22055	6.1
502.29416	34.6
503.29861	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60337	0.4
59.01376	1.7
60.69319	0.4
61.98838	1.0
69.46120	1.2
69.46548	2.1
70.62093	0.4
74.87115	0.4
78.95907	27.7
89.36847	0.4
90.75801	0.4
97.05950	0.4
102.65675	0.4
110.39033	0.4
122.98521	0.4
152.99579	3.5
168.04306	4.4
180.78923	0.4
194.05620	0.4
194.09656	0.4
224.04820	0.6
224.06934	9.4
233.22664	0.6
242.08020	2.3
253.21712	1.0
258.21927	0.4
275.20160	0.7
277.21716	100.0
278.22055	6.9
287.05319	0.4
399.93826	0.4
478.29691	0.5
502.29407	79.2
503.29764	7.8
504.35803	0.4
516.28247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88461	0.5
61.98827	5.4
62.96411	1.4
69.37880	4.4
73.60359	0.5
78.95905	100.0
83.98116	0.6
90.06287	0.5
96.96966	5.8
99.92587	12.4
100.93346	0.7
114.94939	8.8
115.92076	16.1
116.92117	0.7
116.92846	5.4
119.98540	1.3
125.92869	0.7
134.98581	1.1
137.99666	1.4
140.01192	2.0
141.96021	14.2
150.98021	3.1
152.99588	51.6
163.89716	1.4
165.91243	0.7
171.00655	1.2
178.88443	5.7
179.89206	20.6
180.90057	8.2
181.90874	2.9
185.85298	0.5
192.00679	2.1
194.02211	2.6
194.87885	0.7
196.03752	0.8
196.89478	41.1
197.89529	1.1
204.92311	2.6
205.91013	0.9
205.93127	4.9
206.91591	0.9
218.91631	1.1
219.92416	0.8
222.93419	3.5
223.94199	1.7
235.91835	6.4
236.92569	3.5
255.23291	26.8
256.23520	1.0
259.94250	1.0
277.95200	2.5
303.18201	0.5
366.43124	0.6
409.23633	8.3
411.18491	2.3
419.12979	1.1
435.12494	1.2
450.26126	2.8
452.27744	3.9
475.15408	5.0
476.15958	0.7
491.15179	1.8
492.15842	7.5
493.15860	0.9
509.15918	2.5
516.18250	15.9
516.25891	0.9
517.18372	1.8
534.19330	6.4
535.19293	1.0
552.20343	39.7
553.20453	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	552.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	2.0
58.25681	0.8
61.98822	2.2
66.03503	0.9
68.13583	0.7
71.01377	1.3
72.00935	1.0
74.00690	1.7
74.02492	5.7
81.04588	1.2
82.02973	3.2
85.04079	2.2
86.02480	2.6
87.05661	1.3
97.04084	9.9
99.00880	1.8
99.05640	4.6
100.00416	3.8
102.00179	4.7
105.99694	12.0
107.06172	1.2
111.00916	0.9
112.98835	5.3
113.03565	1.9
113.07209	1.1
113.67199	0.8
114.00190	1.7
127.05086	1.2
128.03549	40.0
131.02849	1.7
134.03758	5.6
135.05650	2.7
136.83060	0.8
141.03061	2.8
142.99866	4.4
143.04642	9.1
146.04573	2.0
149.06041	1.3
151.05113	2.0
153.06697	6.7
160.00676	6.2
164.08276	1.3
169.06198	5.5
173.00912	3.9
174.01675	2.0
175.01825	14.2
175.03392	1.0
175.03999	1.0
178.02733	3.7
179.04628	8.9
182.09378	1.8
185.03885	2.3
193.05063	17.2
197.05652	6.2
203.04970	2.1
210.08765	1.5
226.08322	2.6
252.06497	0.9
254.07718	4.6
260.07217	1.5
272.08868	16.2
280.30667	0.9
286.04999	4.1
304.06091	100.0
305.06400	5.2
355.10361	6.5
423.33197	1.1
534.08252	1.3
552.09723	11.2
553.10077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.3
61.98819	1.9
69.82574	2.8
71.01375	2.0
73.02972	0.6
73.77293	0.6
74.00703	1.1
74.02473	5.6
82.02981	2.8
83.01387	0.6
85.02938	0.6
85.04074	1.9
86.02463	2.6
87.05628	1.4
88.98804	1.5
89.02429	0.9
96.87193	0.5
97.04081	8.7
99.00880	1.8
99.05640	2.2
100.00419	3.6
102.00201	5.0
105.99681	10.3
107.06146	0.8
109.04050	1.7
111.00880	0.6
112.98820	5.1
113.03587	1.2
114.00198	1.3
115.00370	1.0
116.01763	1.4
125.03564	1.0
127.05153	1.3
128.03540	36.8
129.03854	0.7
131.02890	1.6
134.03702	1.6
135.05643	2.4
139.05049	0.8
141.03072	2.6
142.99870	4.2
143.04630	8.8
146.04597	1.7
151.05151	2.8
152.08305	0.7
153.06706	5.5
160.00690	4.7
167.04582	1.0
169.06198	3.3
173.00874	4.7
174.01698	1.5
175.01822	12.6
175.04037	1.9
176.00267	1.0
179.04596	6.4
182.09349	1.9
185.03896	1.5
193.05057	2.2
196.07353	0.6
197.05658	5.4
203.05005	1.4
208.07294	0.9
210.08751	0.6
226.08263	3.1
252.06277	1.1
254.07829	2.5
272.08841	8.7
286.05081	3.7
304.06079	100.0
305.06418	4.9
306.07785	1.0
306.70114	0.6
377.72229	0.6
397.10840	0.8
552.09589	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	552.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01453	0.8
57.03428	3.6
59.01379	47.3
60.01696	1.0
61.98830	100.0
67.35168	0.8
69.65765	2.3
69.66182	3.2
71.01386	11.2
72.99298	1.3
73.02934	7.3
75.00899	1.1
83.01382	2.5
85.02934	3.1
89.02441	4.7
89.95089	0.9
91.91521	0.8
95.01398	1.0
98.19964	1.9
99.00849	1.9
101.02442	12.8
113.02451	8.7
113.06075	1.4
119.03510	2.9
121.02927	3.4
125.02504	1.0
131.03485	1.3
134.03763	1.1
139.07640	1.3
143.03503	1.5
149.04498	2.9
161.04587	6.2
163.25183	0.8
165.01913	2.2
165.09125	1.0
175.03938	0.9
178.02435	0.9
179.05679	1.4
187.11310	1.4
200.23183	0.9
203.05600	1.4
205.12369	1.6
221.06596	2.9
223.13411	10.6
227.03442	1.5
255.02994	2.5
280.07101	1.2
284.03186	2.4
285.03891	1.2
295.09286	1.1
310.11835	1.3
445.20831	3.3
465.12158	2.7
552.25977	2.6
553.32642	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	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49965	0.3
59.01381	13.7
61.98820	0.6
69.16555	0.3
71.01383	3.0
71.52061	0.6
73.02937	1.1
78.95891	1.1
84.33999	0.3
85.02930	0.7
89.02451	2.7
101.02461	2.6
113.02461	0.9
119.03502	0.7
145.40150	0.4
152.99585	0.4
161.04514	0.8
178.24423	0.4
179.05559	0.4
196.89417	0.5
224.22560	0.4
235.08263	3.0
253.06599	0.7
253.09279	13.9
255.23302	100.0
256.23676	6.3
269.24948	0.8
516.15082	0.4
539.45056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15233	0.8
55.93719	1.0
61.98832	100.0
69.35967	8.5
78.95917	0.9
96.94888	0.9
98.19927	2.2
106.71951	0.9
134.03743	1.7
163.61897	0.8
174.01707	1.5
193.05003	1.4
231.10539	0.9
557.17493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55836	0.6
58.02961	1.8
59.01378	0.7
61.98828	2.2
69.76556	4.3
71.01392	1.2
72.00892	1.1
74.00696	2.0
74.02480	6.7
82.02982	4.0
84.04563	1.0
85.04072	1.9
86.02480	2.7
87.05653	2.5
97.04070	12.8
98.19955	1.6
99.00881	2.0
99.05648	3.0
99.92230	0.7
100.00405	5.6
102.00204	4.7
102.05584	1.0
105.99692	11.3
107.06164	1.1
109.04073	1.2
111.05624	1.0
112.98806	6.7
113.03586	2.1
113.07188	1.1
114.00175	1.8
115.00310	0.7
116.01746	1.1
124.98794	0.7
125.03542	1.1
127.05157	1.6
128.03545	46.4
129.03833	1.3
131.02849	1.9
135.05644	3.2
141.03055	3.1
142.99898	3.8
143.04622	12.1
146.04602	2.0
151.05115	3.6
151.14833	0.7
153.06723	6.5
160.00690	5.5
160.01651	0.7
164.08400	0.7
169.06207	6.4
173.00934	3.9
174.01653	2.2
175.01819	15.0
175.04045	1.3
176.00276	1.0
179.04594	8.0
182.09329	1.8
185.03906	2.1
196.07297	0.8
197.05682	6.1
203.04932	2.8
208.07318	1.2
210.08913	1.9
226.08392	3.3
239.19475	0.7
252.89430	0.7
254.07808	6.3
272.08875	21.6
273.09167	1.0
286.05090	6.1
304.06088	100.0
305.06317	4.2
423.05420	0.8
552.09674	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	551.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03444	7.7
59.01376	7.0
69.41858	4.9
71.01386	4.6
72.99320	1.1
75.00874	0.7
83.01389	2.1
84.02185	2.0
85.02435	1.0
85.02953	18.3
86.03210	0.7
87.00875	11.6
89.02441	3.1
92.53117	0.7
99.00874	2.1
101.02415	1.6
109.68366	0.6
110.93472	0.8
110.98516	0.8
111.00898	3.0
115.00373	1.3
128.03542	2.3
129.01057	1.0
129.01947	13.6
133.01407	4.4
141.01932	1.1
147.02921	0.6
159.02991	3.7
166.92421	1.7
168.27602	0.6
191.01987	1.8
208.93391	1.4
208.95297	1.1
209.06662	100.0
210.06990	2.6
277.43317	0.6
279.73328	0.6
286.05014	0.7
304.06061	5.7
341.10767	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	551.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01380	6.1
60.88701	0.4
61.98824	2.7
67.72627	0.5
69.37306	0.8
69.37713	2.9
71.01385	4.6
73.02930	0.9
83.01395	0.4
85.02954	1.8
89.02460	2.2
93.03480	0.5
101.02446	3.3
113.02464	2.2
119.03484	0.6
119.05018	0.6
121.02953	3.8
122.03729	0.4
125.02514	0.5
128.03537	0.6
134.03717	0.5
136.05286	0.5
137.02434	0.8
137.06055	0.5
139.00409	0.6
139.04050	0.5
145.02946	1.6
147.04517	1.3
161.04558	2.0
161.05815	0.5
162.03201	0.5
163.04010	4.7
165.01901	0.6
166.02696	0.5
173.02367	0.5
174.01918	0.5
174.03253	1.6
175.03992	14.4
176.04750	2.9
177.05544	1.5
179.03392	0.9
180.04288	8.8
188.04803	2.6
189.05576	5.8
190.06352	18.8
191.07114	14.0
192.07454	0.7
193.05052	9.4
194.05850	5.7
203.07146	1.9
205.08687	16.8
206.09007	1.0
207.06644	4.7
208.07404	13.1
209.07852	0.5
222.08900	1.5
223.06294	0.5
223.09641	1.1
224.33484	0.5
255.03024	0.6
271.02603	0.8
272.03027	0.4
273.02985	0.5
300.02789	1.1
301.03253	1.3
302.03421	1.4
303.03970	0.5
327.11325	0.6
344.12604	2.8
359.14993	100.0
360.15366	7.7
389.16010	2.5
389.21100	0.8
390.16440	0.5
507.10461	1.8
550.50299	0.6
551.30090	3.0
552.31586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.177
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
56.37022	1.1
57.03445	1.3
59.01381	13.3
61.98830	2.3
71.01388	9.1
71.37756	1.5
72.34378	1.1
73.02930	1.4
85.02955	3.4
89.02441	6.5
93.03460	3.5
95.01362	1.5
101.02460	7.2
102.02770	1.3
106.04229	1.9
113.02455	6.8
119.03500	1.3
121.02954	14.3
122.03758	5.5
123.04505	4.2
132.02167	2.7
133.02971	3.0
134.03748	58.6
135.04507	2.0
136.01668	1.7
137.02457	8.2
139.04028	2.4
147.04488	2.6
149.02432	18.7
149.06096	15.8
150.03227	51.0
151.04022	8.4
160.01653	9.8
163.03969	1.3
164.04759	4.4
165.01912	4.1
165.05565	50.4
166.06035	1.5
175.04013	10.8
176.04774	3.7
178.01176	1.8
178.02713	31.2
180.04306	2.8
181.05118	6.8
191.07147	4.0
193.05057	100.0
194.05350	4.0
195.06628	32.7
195.07990	0.9
196.06995	1.5
221.06189	1.6
235.06010	8.7
239.07133	1.6
250.06534	2.0
253.08733	1.3
267.06589	2.1
282.09000	8.2
297.11127	1.3
326.08084	1.4
327.12601	1.3
341.10294	40.6
342.10715	1.8
383.11334	3.2
387.20029	1.6
388.20465	4.3
389.12424	44.7
389.20804	4.2
390.12729	3.7
431.13492	3.2
551.17865	6.3
551.25964	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	551.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42270	0.7
58.30732	0.7
59.01357	2.4
61.98822	1.0
62.08335	0.7
70.96001	1.6
71.01377	2.5
85.02936	1.2
89.02441	2.0
93.03471	1.2
99.04512	0.7
101.02433	1.8
113.02511	0.8
114.05721	0.7
121.02965	8.1
122.03747	4.1
127.21855	0.6
133.02965	2.4
134.03746	50.5
135.04071	0.8
135.04413	0.8
137.02449	8.2
139.04037	1.5
144.42783	0.8
147.04509	1.0
148.01610	0.7
149.02451	13.5
149.06075	14.7
150.03233	31.3
151.03998	4.2
164.04820	2.5
165.05571	31.8
176.04704	0.9
178.02711	29.1
179.03207	0.9
179.05682	0.9
180.04256	2.3
181.05038	2.0
192.04143	1.1
193.05057	100.0
194.05397	4.2
195.06627	21.0
235.06158	2.3
239.07208	1.1
250.06329	1.3
267.06677	1.7
282.08948	6.3
283.09122	0.9
297.11389	1.3
326.08191	1.1
341.10281	25.9
342.10675	1.8
353.10147	0.9
389.12405	30.9
390.12753	2.0
551.17902	5.4
551.25861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1771
Annotation	Lactucaside
Peak:m/z	Relative Intensity
51.44149	0.8
53.44855	0.8
59.01389	4.0
61.98825	1.2
64.06238	0.8
70.73722	2.5
70.74069	0.8
71.01375	4.2
73.02956	1.2
85.02953	1.1
89.02444	3.6
93.03442	1.7
94.45171	0.8
101.02428	3.0
101.46575	0.7
113.02467	4.2
119.05019	1.1
121.02938	6.8
122.03750	4.3
123.04539	7.3
132.02170	1.0
133.02979	4.4
134.03746	87.5
135.04425	3.7
136.01646	2.3
137.02438	12.3
139.04019	2.6
147.04567	2.5
149.02441	14.8
149.04892	1.1
149.06084	24.3
150.03229	36.4
151.04019	28.6
160.01665	1.5
161.04477	1.0
164.04765	3.4
165.05566	32.2
166.05911	1.3
175.03990	3.8
176.04813	4.1
178.02713	43.9
179.03052	1.2
179.05568	1.0
180.04247	2.8
181.05063	18.4
188.50684	0.9
191.07188	4.9
192.04318	4.0
193.05067	100.0
194.05402	3.4
195.06654	12.1
207.06531	1.2
235.06113	15.0
267.06665	2.0
272.20892	0.8
282.08966	5.3
297.11288	3.2
327.12357	0.9
341.10275	20.9
342.10675	1.3
371.11566	1.0
374.75635	0.9
383.11298	2.9
389.12430	93.4
390.12823	7.3
431.13382	2.4
551.17535	17.8
551.25537	1.1
552.17554	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	549.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73794	0.3
55.01890	1.7
57.03451	2.5
58.00591	1.4
59.01381	33.1
60.01696	0.3
61.98809	0.3
69.03452	0.5
69.48908	2.3
71.01383	26.3
72.01692	0.5
72.99303	1.7
73.02950	5.7
82.27158	0.3
83.01378	3.0
85.02954	9.7
87.00873	1.8
89.02443	22.0
90.02785	0.3
95.01408	1.8
97.02937	0.8
99.00881	2.3
99.04476	0.5
101.02445	23.1
113.02451	12.9
114.02732	0.4
119.03503	9.6
125.02418	0.8
131.03470	1.1
132.62645	0.3
137.09686	1.0
143.03511	1.5
149.04500	0.3
151.07658	0.6
151.11308	0.3
152.08427	0.6
153.12862	0.4
159.02927	0.7
161.04559	5.1
163.11301	0.5
179.02872	0.3
179.05608	3.1
189.12846	0.7
195.13814	0.7
197.15392	0.6
205.12515	0.4
206.23706	0.3
207.13956	1.7
209.77832	0.3
218.55603	0.3
221.06702	0.4
225.14960	8.5
226.15266	0.4
375.28345	0.3
377.19968	0.3
387.20233	100.0
388.20645	7.1
507.55173	0.3
549.25513	13.2
550.25861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49131	0.2
55.01876	0.3
57.03445	0.6
59.01386	4.3
67.39990	0.2
68.94725	0.2
69.51859	1.8
69.52215	0.3
71.01384	5.0
72.99305	0.3
73.02951	1.2
75.00890	0.3
78.95909	12.3
79.95738	2.9
83.01395	1.0
85.02944	1.7
87.00890	0.3
89.02445	2.4
89.02943	0.4
95.01405	0.6
96.96016	100.0
96.96939	20.3
97.02959	0.3
99.00905	0.5
99.04494	0.3
101.02451	3.7
113.02464	2.2
119.03499	0.9
125.02425	0.6
143.03511	0.7
158.35271	0.2
159.03023	0.4
161.04576	2.6
163.11205	0.4
179.05608	0.8
180.36826	0.3
195.16402	0.2
207.13882	0.4
219.33614	0.2
225.14983	0.5
234.27322	0.2
241.04872	0.4
256.78223	0.3
293.09488	0.3
311.10516	0.6
315.08786	1.5
327.08768	1.5
348.86099	0.3
369.10849	0.3
371.84241	0.3
387.11816	0.7
387.20224	2.4
453.56274	0.3
517.57788	0.2
549.25507	4.6
550.25958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65784	0.6
59.01380	28.9
61.98830	100.0
70.37360	2.5
71.01390	9.5
73.02950	11.3
78.95936	1.1
83.01392	4.3
85.02940	0.8
89.02451	3.1
101.02444	12.1
113.02436	3.7
119.03478	1.5
131.03552	1.1
143.03554	0.8
149.04579	2.2
161.04567	4.6
193.14734	0.7
221.06734	0.8
236.10258	0.8
342.13577	0.9
383.53110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03445	6.0
58.00589	5.1
59.01380	100.0
60.01698	1.3
61.98832	46.1
66.87414	0.8
71.01382	86.5
71.60412	1.4
72.99315	7.9
73.02953	6.4
75.00874	2.3
80.99149	0.8
83.01389	5.7
84.65886	1.0
85.02962	16.8
87.00870	6.1
89.02445	96.7
95.01380	6.5
96.96016	1.4
99.00877	1.7
99.04511	5.0
101.02444	53.1
102.23591	1.0
111.00815	1.4
113.02454	38.5
115.00333	1.3
119.03500	47.5
121.02944	1.0
125.02432	4.2
129.01886	1.1
131.03522	4.6
134.03751	5.6
137.09711	1.4
143.03500	8.3
145.02927	2.1
147.04488	2.0
148.05318	1.5
149.04538	4.2
149.06078	1.7
159.02972	2.5
161.04567	19.5
163.03896	1.1
164.04752	1.0
167.77025	1.2
175.02487	2.4
179.05606	22.9
189.12822	1.4
193.05028	4.3
207.06566	2.9
207.14008	1.0
217.12029	0.9
221.06645	1.7
225.14935	1.1
241.05055	3.3
255.85686	1.2
256.07343	2.3
271.09735	6.0
369.13492	1.0
369.19034	2.3
387.20206	11.4
405.21115	1.6
527.71960	1.1
549.15942	12.0
549.25397	67.8
550.17902	1.1
550.25690	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	549.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03445	6.0
58.00589	5.1
59.01380	100.0
60.01698	1.3
61.98832	46.1
66.87414	0.8
71.01382	86.5
71.60412	1.4
72.99315	7.9
73.02953	6.4
75.00874	2.3
80.99149	0.8
83.01389	5.7
84.65886	1.0
85.02962	16.8
87.00870	6.1
89.02445	96.7
95.01380	6.5
96.96016	1.4
99.00877	1.7
99.04511	5.0
101.02444	53.1
102.23591	1.0
111.00815	1.4
113.02454	38.5
115.00333	1.3
119.03500	47.5
121.02944	1.0
125.02432	4.2
129.01886	1.1
131.03522	4.6
134.03751	5.6
137.09711	1.4
143.03500	8.3
145.02927	2.1
147.04488	2.0
148.05318	1.5
149.04538	4.2
149.06078	1.7
159.02972	2.5
161.04567	19.5
163.03896	1.1
164.04752	1.0
167.77025	1.2
175.02487	2.4
179.05606	22.9
189.12822	1.4
193.05028	4.3
207.06566	2.9
207.14008	1.0
217.12029	0.9
221.06645	1.7
225.14935	1.1
241.05055	3.3
255.85686	1.2
256.07343	2.3
271.09735	6.0
369.13492	1.0
369.19034	2.3
387.20206	11.4
405.21115	1.6
527.71960	1.1
549.15942	12.0
549.25397	67.8
550.17902	1.1
550.25690	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	549.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53440	0.6
55.01881	5.8
57.03448	5.6
58.00603	4.5
59.01383	75.0
61.98841	5.3
69.03457	2.0
71.01386	89.9
71.61216	0.8
72.01718	1.1
72.99319	5.0
73.02950	21.3
75.00861	1.8
81.03442	1.5
83.01392	16.1
83.05033	0.6
84.02147	0.7
85.02955	34.5
85.79202	0.8
86.03288	1.4
87.00880	7.3
89.02448	57.3
95.01396	7.4
97.02962	4.0
99.00877	9.0
99.04506	2.4
101.02448	81.0
113.02453	40.5
116.92874	1.3
119.03510	26.0
119.04944	4.1
121.02919	1.3
125.02423	3.8
125.45561	0.8
128.03584	1.4
129.01947	1.3
131.03491	3.3
134.03720	0.7
137.09740	2.1
143.03506	8.5
149.04570	2.7
151.11238	0.9
158.50943	0.7
159.02994	4.1
161.04562	41.7
163.03995	4.0
165.12843	1.3
167.14333	0.7
174.01691	0.7
179.05620	17.5
189.12863	0.8
193.05092	1.1
195.13904	1.7
207.13965	1.2
225.14964	19.8
247.29549	0.9
263.07596	1.5
266.78885	0.7
267.07526	0.9
281.09122	1.8
285.04114	0.9
295.06970	0.8
297.17017	0.9
311.10272	2.0
315.09689	2.1
325.11029	1.1
327.08978	2.0
337.08270	1.7
357.11722	0.9
369.10986	4.2
369.19171	3.0
387.11679	3.3
387.20236	93.3
388.20541	7.0
411.11737	1.0
429.12991	2.5
433.20895	1.1
549.25525	100.0
550.25702	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	549.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.2
57.03447	6.6
58.00599	4.8
59.01379	89.9
60.99294	0.4
61.98834	0.8
62.22961	0.6
63.48205	0.6
69.03456	1.2
71.01383	66.4
71.20352	0.9
72.01704	0.9
72.99322	4.0
73.02945	12.2
75.00881	1.0
83.01379	11.3
84.61303	0.5
85.02950	25.5
87.00873	3.8
89.02444	58.7
90.02769	0.6
95.01388	4.8
97.02948	2.2
99.00891	4.6
99.04548	1.2
101.02442	59.7
104.67775	0.6
109.04444	0.5
113.02448	29.3
114.02772	1.0
119.03505	26.8
119.05006	2.2
125.02431	2.6
129.01906	0.7
131.03471	3.0
137.09703	1.9
143.03487	6.5
149.04561	1.5
151.11298	1.0
152.08418	0.9
153.12842	0.7
159.02962	1.7
161.04553	12.0
161.05855	0.9
162.04811	0.8
163.04015	3.0
163.11285	0.9
179.05600	13.7
179.14403	0.6
181.12289	0.9
189.12709	0.5
195.13927	1.7
197.15416	2.4
207.13860	3.4
221.06744	0.8
225.14948	17.1
226.15273	0.8
263.07733	0.8
369.19089	3.8
387.11722	1.0
387.20233	99.5
388.20529	8.0
549.25525	100.0
550.25745	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	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50606	0.2
59.01395	0.2
61.98819	0.7
63.19902	0.2
69.06750	0.2
69.96357	1.1
77.03964	1.6
93.03464	0.5
94.81147	0.2
121.02957	100.0
122.03283	3.1
147.04503	0.2
160.63293	0.2
165.01927	53.9
166.02278	1.5
166.04243	0.2
179.05072	0.3
180.05774	0.7
181.06570	2.5
197.06059	2.1
199.07651	0.2
207.04550	0.7
207.08018	0.3
207.23154	0.2
223.03984	0.5
223.07457	0.2
225.05540	1.7
256.09024	0.3
257.09686	0.7
313.07224	1.6
328.55347	0.2
357.06140	1.0
373.10321	0.2
383.07599	0.6
417.09628	2.2
448.13406	0.3
505.11594	1.8
532.72809	0.3
549.10376	27.4
550.10699	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	549.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.9
57.48678	1.5
59.01383	28.1
61.98839	4.6
67.53494	1.3
69.56179	9.9
71.01385	22.0
72.99284	2.7
73.02956	3.8
73.04128	1.4
83.01395	2.9
85.02969	9.1
87.00894	3.0
89.02438	17.1
95.01405	2.7
99.00913	2.5
99.04504	7.0
101.02442	17.3
108.04590	2.0
113.02454	8.1
119.03503	5.2
119.04997	2.6
121.02973	4.1
122.06204	2.1
125.02400	1.4
128.03471	1.6
134.03746	1.9
137.09683	1.6
143.03531	2.8
159.04538	3.4
160.04063	8.8
161.04578	8.5
175.02562	1.8
179.05553	3.3
188.03548	6.8
204.02928	1.7
212.07341	3.0
218.04596	6.9
224.07208	1.8
225.14903	3.3
226.03876	2.8
227.08249	2.9
238.08792	3.0
239.04497	2.5
239.08286	5.5
239.12096	1.6
240.05313	4.9
241.06323	3.2
241.09767	1.6
250.07425	2.5
252.06587	2.4
253.06197	2.2
254.06937	2.3
255.07729	12.5
256.08264	2.3
265.06650	1.8
265.09842	3.4
266.08234	1.8
267.04303	2.4
267.07712	9.3
267.11307	5.0
267.95538	1.5
269.09418	7.5
278.07013	3.9
280.04980	8.1
281.05716	6.8
281.09314	13.9
282.02847	3.2
282.06128	2.0
282.09073	1.8
283.07227	9.0
283.10532	3.0
293.06274	2.0
293.09381	10.0
294.07202	2.9
295.07214	18.1
296.07855	4.2
309.08804	22.2
310.08743	1.9
311.10345	52.3
312.10809	3.3
315.09821	35.7
316.10022	3.1
319.07156	1.5
323.10083	2.3
325.10983	1.6
327.09891	18.4
329.84610	1.8
337.08286	61.0
338.08478	4.8
355.09387	25.5
369.10889	100.0
370.11093	5.8
379.09256	1.8
387.11780	60.4
387.19772	9.7
388.12320	3.2
397.10361	2.7
411.11935	27.7
429.12994	40.7
430.13351	2.7
433.20813	2.0
457.12463	4.2
459.14255	1.9
489.15045	8.8
490.15005	1.9
517.15027	7.2
535.33502	1.7
549.16785	11.8
549.25787	15.5
550.25226	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	549.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57562	2.3
59.01397	13.7
61.98832	20.6
64.95237	6.5
69.83254	10.5
70.73654	2.3
73.01177	21.0
81.83646	2.3
88.43726	2.6
99.00774	3.1
104.98363	9.2
108.74727	2.3
112.98756	3.3
134.14578	2.4
137.01001	5.0
142.99866	5.6
173.00890	6.6
174.00180	5.3
174.01692	100.0
245.01149	8.6
279.00024	10.6
285.25275	2.6
301.05344	2.9
312.22574	2.8
313.23489	2.8
358.39270	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	549.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78461	0.8
57.03452	1.3
58.19656	0.8
59.01378	4.9
61.98824	1.2
62.06708	0.8
65.00325	1.9
69.35122	7.1
71.01385	3.2
83.01405	1.9
89.02439	1.3
90.35746	0.8
98.19836	1.8
99.04565	1.5
101.02445	3.1
107.01398	3.5
108.02138	1.4
109.02972	1.7
113.02463	1.6
117.86106	0.9
121.02979	2.4
125.02466	1.3
136.01523	1.0
148.01639	1.7
151.00366	11.6
151.04008	1.1
161.04567	0.9
163.00397	3.8
166.02713	1.9
178.99825	5.0
181.05017	1.7
211.03941	1.2
225.05527	1.2
226.02734	1.4
227.03551	3.0
229.05084	1.3
243.02963	12.4
245.04611	1.7
254.02267	2.0
255.02983	31.5
256.03384	2.7
271.02475	62.1
272.02911	4.8
283.02560	1.3
299.02020	3.5
300.02747	100.0
301.03488	53.0
302.03906	2.3
387.14462	3.7
445.07507	2.1
463.09113	2.3
505.09909	64.6
506.10315	7.8
549.28955	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	549.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57553	1.4
55.01880	2.1
57.03449	5.4
58.36166	1.5
59.01381	26.4
60.14497	1.4
61.69222	1.4
61.98845	7.2
63.02496	1.4
65.19255	1.3
68.40541	1.3
69.35380	13.3
71.01389	15.8
72.99329	1.8
73.01157	2.3
73.02937	6.9
73.45743	1.4
83.01402	2.6
85.02957	7.6
89.02450	12.4
95.01373	2.7
99.00855	2.2
99.04505	2.9
101.02436	18.0
103.23116	1.6
107.01400	3.4
108.02176	4.2
112.28049	1.6
113.02460	9.4
119.03501	5.7
120.01254	1.4
121.02959	2.9
125.02456	3.3
128.03554	5.9
134.03680	1.4
143.03542	2.4
146.03622	2.8
147.04562	1.8
148.01648	1.6
148.05292	1.5
151.00386	10.0
159.02985	1.9
160.04044	2.5
161.04559	7.7
163.00342	2.9
173.02417	10.0
174.01724	2.4
174.03201	14.2
178.99860	3.9
179.05565	3.4
181.27777	1.6
188.04759	4.4
193.05063	2.7
204.23190	1.6
206.02257	7.9
215.03366	1.8
216.04446	1.7
220.03735	3.5
227.03514	3.0
230.90297	1.8
243.03030	9.9
245.04599	2.5
249.05502	4.8
254.02133	2.7
255.02979	27.7
256.03558	2.0
267.07620	1.6
267.11307	3.6
269.09512	1.8
270.99612	3.6
271.02460	54.4
272.02777	3.5
281.05704	2.2
281.09235	1.7
283.02292	1.8
283.07150	2.1
283.10574	1.7
295.07150	3.1
299.12885	3.7
300.02753	100.0
300.90991	1.6
301.03461	46.4
302.04086	2.4
309.08670	3.6
310.08466	1.9
311.10425	18.5
315.10007	2.1
325.10831	32.7
326.11188	3.6
327.10074	3.5
337.08218	5.6
343.11777	6.8
355.09305	4.5
367.11844	3.3
369.10916	24.9
387.12305	8.1
387.20258	7.6
443.63385	2.0
463.08871	3.5
505.09900	71.1
506.09973	5.9
549.16998	28.7
549.25964	12.5
556.19183	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	549.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77818	5.0
59.01361	19.9
61.98522	6.4
61.98834	100.0
64.95251	6.1
65.21351	5.0
70.53949	5.1
71.61248	10.6
73.01178	44.3
75.00936	5.1
76.79369	5.8
82.21072	6.1
84.09377	5.1
104.98445	8.4
108.40596	4.8
137.01009	10.4
156.86841	5.8
173.73608	5.2
174.01700	56.3
278.99969	12.3
287.10324	7.1
306.53607	6.9
311.21780	6.0
517.14496	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	548.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49946	1.1
57.03452	28.7
58.02983	7.7
59.01381	40.6
60.01715	2.2
61.98831	12.1
63.96255	1.8
64.95217	1.4
69.35139	2.2
69.35542	8.9
71.01384	7.2
71.32754	1.1
72.00387	1.4
72.00913	5.6
73.01183	3.8
73.98293	1.7
74.02476	18.5
78.96840	2.7
81.03489	1.6
82.02987	2.4
83.01373	1.4
85.02970	3.4
86.00156	1.9
86.02478	11.8
87.00889	1.8
87.05650	4.3
88.04047	2.3
89.02417	2.5
90.00133	1.3
97.04077	1.6
98.02491	2.0
99.00903	1.3
99.04529	30.5
99.05610	13.5
100.00426	3.2
100.04867	4.1
101.02445	9.2
101.07220	2.4
102.05627	1.8
109.04070	2.2
112.04018	2.1
113.02458	2.8
125.02464	13.6
125.03362	2.2
126.02819	2.3
127.05138	5.3
127.08774	1.9
128.03545	49.2
130.05072	1.7
135.05656	4.3
137.07210	1.6
141.06700	2.9
143.04620	62.0
145.06197	7.2
146.04617	5.1
153.06691	3.9
155.08232	1.4
160.00713	8.5
161.04570	1.6
166.03299	2.4
166.09883	2.7
167.04671	3.9
167.08266	3.1
171.07733	9.1
177.03519	3.1
179.04593	11.2
181.06247	3.0
185.05641	5.0
197.05658	2.3
199.07242	5.5
201.05124	1.2
210.08885	11.4
211.43376	1.2
217.06450	1.8
225.03050	1.2
227.12885	1.9
244.09360	3.2
254.07849	18.9
272.08862	46.9
273.09326	2.2
288.06635	5.7
304.06006	11.7
305.08716	3.0
306.07648	100.0
307.07874	5.3
308.07938	1.2
328.09814	3.6
346.10748	42.6
347.11255	2.2
378.08087	7.8
395.08200	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	548.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21661	0.5
59.55692	0.5
61.98825	2.9
66.03481	1.1
68.01440	0.6
68.99464	1.0
68.99820	17.4
70.02974	1.2
70.84760	0.6
70.85073	0.7
71.01369	1.9
74.68208	0.4
83.00140	1.8
83.01379	1.9
83.05025	0.6
85.01675	0.6
86.02502	0.6
94.02991	1.9
96.00894	1.2
96.99324	6.8
98.02480	0.9
98.44257	0.6
99.00883	5.0
106.06574	0.6
107.03763	0.8
108.22619	0.4
109.01701	15.4
110.02491	4.4
111.03289	0.7
112.00421	1.3
113.01197	5.5
114.01957	1.7
122.02450	0.8
124.00414	2.5
126.01975	2.6
126.16261	0.5
128.03500	1.6
130.06593	1.2
131.03833	0.6
132.04501	0.5
134.06056	0.5
142.01459	0.8
146.06128	1.1
147.52409	0.5
148.04070	0.7
149.04784	1.1
152.03568	0.9
152.99428	0.7
158.06070	1.0
164.03543	1.0
170.06146	0.6
173.03285	8.8
174.04111	1.0
174.05569	1.3
184.02547	0.9
186.04077	1.5
190.05099	0.6
216.06635	1.0
217.07230	1.2
228.06613	0.7
251.07993	4.4
268.09836	0.8
276.08734	1.2
288.08786	0.7
375.27054	0.7
382.97305	0.6
398.49893	0.6
444.28668	0.8
456.24072	2.3
460.28760	1.1
488.28061	11.7
489.28293	1.1
548.30188	100.0
549.30554	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	548.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91858	1.4
55.01837	1.4
57.03448	10.7
58.02977	3.7
59.01377	30.2
61.98830	28.7
71.01380	15.4
71.61120	2.6
72.00951	1.7
73.01167	9.1
73.02949	3.8
74.02473	11.3
75.00837	1.9
75.63525	1.6
78.95908	2.7
82.02998	3.0
83.01387	2.2
83.66882	1.5
85.02959	6.2
85.04111	2.8
86.02487	3.0
87.00888	3.7
88.98838	3.4
89.02461	8.2
96.96073	1.7
97.03010	2.1
97.04075	12.5
99.00872	1.9
99.04515	8.6
99.05634	4.9
100.00408	6.2
101.02441	11.8
102.00203	7.0
104.98379	26.7
105.99670	11.4
113.02429	7.4
113.03606	1.8
114.00249	1.9
116.01794	2.6
119.03576	1.9
119.05021	2.1
122.21906	1.5
125.02469	5.2
125.03417	1.5
126.02788	2.1
127.05157	4.0
128.03545	57.7
130.54665	1.4
131.02812	2.7
135.05650	3.7
141.03062	3.3
141.06697	1.7
142.99883	3.1
143.04614	18.4
146.04614	4.2
151.05142	2.8
153.06723	5.7
160.00688	8.7
161.01009	1.9
161.02463	3.0
161.04584	4.3
168.98206	2.7
169.06210	5.0
175.01840	12.5
179.04590	8.7
197.05714	10.2
203.04980	2.7
210.08885	3.3
225.75189	1.8
226.08376	3.1
250.02678	1.7
254.07918	5.1
260.07187	2.0
272.08881	23.0
286.05048	4.0
288.06580	1.7
292.76361	1.6
301.03580	2.3
304.06073	100.0
305.06320	3.8
306.07651	23.9
338.04883	6.4
352.65979	1.5
378.07968	2.8
466.79086	1.7
530.83557	1.7
547.24438	1.9
548.27155	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	547.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02399	1.3
54.01802	1.2
57.03453	73.6
59.01382	98.0
61.86531	1.1
62.85826	1.2
69.55682	7.2
71.01388	14.9
73.02946	3.4
73.98701	1.1
81.03447	2.6
83.01387	2.6
85.02950	3.4
87.00864	1.6
89.02440	9.9
92.41028	1.1
95.01423	1.4
97.02942	2.4
99.00880	1.3
99.04522	100.0
100.04856	1.3
101.02454	27.2
113.02446	7.1
115.00380	1.2
115.97054	1.2
119.03481	3.0
125.02450	48.5
126.02831	1.5
131.03545	1.8
143.03516	5.8
149.04533	1.2
161.04567	10.6
163.11307	1.3
165.09248	2.1
175.02377	1.5
179.05603	6.7
205.12296	2.3
221.06668	3.5
223.13341	10.1
263.07730	1.8
352.52515	1.2
403.19437	2.3
445.20822	6.1
454.13272	1.2
503.24988	1.3
547.23737	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	548.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.02970	6.2
59.01384	4.7
60.99282	1.0
61.98826	1.9
63.94471	1.4
64.95246	3.0
66.03496	1.0
70.99605	1.1
71.01373	2.9
71.61102	0.7
72.00871	1.9
73.01172	1.1
74.00695	1.4
74.02473	15.2
82.02984	2.5
84.04548	0.8
85.02950	1.5
86.02503	5.9
86.06151	0.9
86.99126	0.8
87.05639	3.8
88.98810	4.3
89.02433	1.6
90.00213	1.1
97.04074	2.1
99.04533	1.4
99.05640	10.7
100.00407	4.7
101.02464	1.5
101.07190	1.6
102.05608	1.6
104.98389	37.4
108.79208	0.8
109.04076	1.7
111.81094	0.8
112.04057	1.5
113.02467	1.1
116.01778	1.0
119.03570	0.9
120.01247	0.9
123.05626	1.5
125.02383	0.9
127.05119	3.3
127.05972	0.7
128.03543	46.3
129.03990	0.8
135.05655	1.9
137.07228	1.6
141.06709	3.4
143.04634	52.8
144.01295	1.0
144.04956	1.0
145.06212	2.9
146.02826	0.9
146.04596	6.1
153.06700	4.1
155.08292	1.2
160.00737	12.6
166.09866	2.2
167.04660	4.8
167.08308	1.9
168.98265	3.8
169.06183	2.8
171.07745	3.1
175.01839	3.6
177.03351	5.1
179.04633	10.6
181.06200	2.1
185.04121	0.9
185.05675	2.7
192.07742	1.2
197.05676	1.6
199.07381	0.8
210.08908	10.8
215.04913	1.3
222.88242	0.8
245.12997	0.9
249.03748	3.0
249.05862	1.7
254.07835	12.9
272.08887	37.3
272.11893	1.8
273.09134	1.6
274.84259	0.9
286.05042	2.4
288.06598	6.2
304.06076	7.3
306.07657	100.0
307.07877	3.4
360.07123	1.3
378.07990	26.0
379.08160	1.8
411.05954	1.3
412.06760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.09
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	9.2
59.01376	7.8
61.98832	13.4
66.89278	1.5
69.39148	6.3
69.39577	8.0
71.01382	4.1
71.29033	1.7
72.00893	2.1
73.01164	5.8
73.02945	1.6
74.02473	24.6
78.95888	1.8
78.96806	6.8
79.62819	1.6
82.02966	2.7
85.02971	2.3
86.02472	9.9
87.05649	3.0
89.02438	2.6
92.98370	2.8
99.05645	19.2
100.00375	1.6
101.02443	2.8
101.07218	3.0
102.05605	4.6
104.98371	2.8
109.04021	3.7
110.66487	1.5
111.05669	1.9
112.04031	2.4
113.02414	2.5
123.05672	2.4
124.95591	10.3
125.03621	3.1
127.05111	4.4
128.03537	58.2
135.05650	3.5
136.75119	1.5
141.06667	3.5
143.04614	73.9
145.06197	2.7
146.04556	6.9
153.06709	5.8
155.08275	2.1
160.00703	11.5
166.09906	2.3
167.04585	3.3
167.08223	4.2
171.04089	1.6
171.07748	4.1
177.03351	9.4
179.04611	19.9
181.06169	2.1
185.05669	4.4
185.11626	1.7
192.07698	1.9
197.05692	3.4
199.07278	2.0
210.08830	23.9
228.09808	2.3
244.09369	1.8
253.09128	4.3
254.07802	30.9
272.08878	59.0
273.09250	2.5
284.03238	1.9
288.06580	21.0
291.19739	2.6
306.07635	100.0
307.07800	4.7
309.20706	10.8
310.21133	4.1
378.07843	4.2
452.09912	1.9
479.18576	1.8
486.94635	2.1
517.93958	2.0
546.08966	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	546.32
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86831	0.2
61.98852	0.3
66.45925	0.2
69.92766	0.9
76.09424	0.2
78.95905	8.0
98.20600	0.3
98.57836	0.2
140.01184	2.6
152.99590	1.3
155.84746	0.2
178.34120	0.2
193.40170	0.2
196.03862	1.2
214.04878	2.9
216.99043	0.2
247.58281	0.2
334.53680	0.2
349.27466	100.0
350.27792	9.3
350.32138	0.4
456.21783	0.3
481.10413	0.2
546.31982	8.7
547.32196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39717	0.7
57.03458	3.5
59.01381	13.3
60.35485	0.7
60.99306	14.7
61.98828	13.9
65.35960	0.7
69.41970	6.5
71.01384	3.1
73.02931	0.9
85.02954	1.3
88.98808	100.0
89.02443	2.1
96.03389	0.7
99.04506	4.0
101.02456	2.8
106.43633	0.7
113.02485	1.3
119.03554	1.2
125.02432	2.2
148.90953	0.9
161.02420	1.5
176.10573	0.7
223.09694	0.9
223.13495	1.0
353.86087	0.9
354.51755	0.8
451.78036	0.7
461.10330	2.1
547.24371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	91.5
59.01381	89.7
61.98831	16.0
69.56934	9.8
69.57354	3.4
71.01374	2.9
74.02467	2.2
75.00860	2.3
81.03439	1.9
83.01368	2.0
85.02935	2.7
86.76415	1.7
89.02451	2.0
89.39120	1.6
98.19865	2.5
99.04520	100.0
99.05585	3.7
101.02451	17.8
104.98363	4.8
125.02455	32.2
128.03569	8.5
135.04530	2.0
143.04593	11.1
160.00723	2.4
177.01935	2.9
179.04745	2.2
216.98405	1.9
251.16418	2.4
254.07845	2.1
272.08905	10.0
306.07581	10.6
311.21747	2.1
317.19717	2.1
336.06744	3.0
359.20483	2.1
378.07999	16.3
385.20413	3.7
427.92935	2.0
547.25128	3.1
548.24945	2.7
566.82690	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16288	1.5
57.03448	7.3
58.00595	2.0
59.01381	19.9
61.98824	7.9
62.31921	1.5
71.01382	9.8
71.05048	2.1
71.61878	2.4
73.01180	4.8
73.02926	2.6
83.01411	2.0
83.05042	2.0
85.02962	5.4
87.00874	3.4
88.14108	1.9
88.68290	1.6
89.02425	10.3
99.04514	4.6
99.92593	3.5
101.00674	1.4
101.02427	12.9
105.82647	1.6
111.08138	10.4
113.02435	6.2
119.02096	1.4
119.03498	2.6
125.02454	2.5
149.04463	1.7
161.04562	7.5
168.39679	2.0
169.12285	2.9
179.05574	2.6
192.38875	1.6
195.13850	2.0
197.11818	46.9
197.80435	1.7
198.12119	1.9
199.13416	2.2
199.96574	1.6
200.56274	1.6
209.15486	18.6
211.13445	5.4
221.15544	1.7
223.17024	5.3
225.14999	2.2
233.15468	6.7
251.16528	12.1
253.09280	53.1
263.20203	4.2
273.18564	2.6
291.19666	33.8
292.19998	2.0
306.97269	4.2
309.20709	100.0
310.21030	6.8
359.53525	1.7
393.01578	1.6
546.66583	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.1
58.00591	1.6
59.01383	19.7
61.98838	5.7
64.31256	0.9
69.43470	1.0
70.67009	3.5
71.01384	12.7
72.99318	2.0
73.02946	2.5
73.40486	0.8
83.01377	2.1
85.02942	3.5
87.00883	1.1
89.02451	10.4
89.49894	1.0
99.00868	1.6
99.04508	6.5
101.02446	14.5
108.84476	1.0
111.08160	18.4
112.08354	0.9
113.02430	6.5
119.03496	5.3
120.19072	1.0
125.02419	3.5
127.07544	1.4
147.02646	1.0
153.12822	2.0
161.04561	5.1
167.12906	1.0
169.12318	6.3
171.62593	1.0
179.05620	3.2
181.12331	1.4
183.13907	1.3
197.11830	84.2
198.12160	3.6
199.13396	5.8
211.13408	9.8
219.84099	1.0
227.12877	2.7
247.16920	1.3
247.20706	1.4
248.16046	1.0
253.09280	54.2
254.09674	1.1
261.05301	1.4
263.20193	6.3
265.18216	2.2
273.18811	1.2
291.19656	26.3
292.19907	1.2
309.20718	100.0
310.20984	5.6
336.06973	1.2
469.43021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76394	1.7
54.00780	1.6
54.33638	1.6
58.02987	11.7
58.84261	1.6
58.99642	1.8
59.01393	3.0
60.22145	1.7
61.98827	12.0
63.96199	1.7
70.02997	1.7
71.01398	3.8
72.00400	3.5
72.00897	6.7
73.01187	7.6
73.98330	3.4
74.02477	27.6
81.02189	3.0
82.03004	3.7
84.13615	1.6
86.02483	18.9
87.05644	4.5
88.04041	2.8
97.04076	2.8
98.02476	3.3
99.05648	23.5
100.00395	6.9
102.05621	2.2
109.04070	2.8
112.04041	2.3
114.00132	2.6
116.01754	3.0
120.97945	1.8
123.05621	2.3
124.04093	1.8
125.03542	3.4
127.05154	6.4
127.08764	3.9
128.03548	82.8
129.03882	3.2
130.05098	4.0
135.05684	3.0
137.07149	2.4
140.96049	1.5
141.06731	4.1
143.04630	96.7
144.04993	2.1
145.06181	13.2
146.04597	8.1
153.06732	3.9
155.08231	2.9
157.06244	2.4
158.26375	2.0
160.00700	10.2
161.68332	2.0
166.09842	3.8
167.04610	5.5
167.08267	3.5
171.04109	3.2
171.07744	24.4
175.62540	1.6
177.03374	3.3
179.04616	16.7
181.06146	4.2
185.05663	6.7
192.07710	2.7
197.05650	3.8
199.07278	12.1
201.05159	2.3
210.08858	19.1
214.56841	1.7
217.06412	2.1
217.08331	4.1
218.05533	2.4
235.17278	1.6
244.09418	8.7
254.07823	34.0
254.67561	1.7
272.08887	84.4
273.09515	7.1
288.06473	6.4
304.06122	26.7
305.08841	9.7
306.07657	100.0
307.07928	5.0
328.09659	6.0
346.10794	72.8
347.11203	3.2
378.08124	8.2
395.08392	5.1
452.09903	2.3
509.24435	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.9
59.01380	86.1
61.98832	6.3
69.03473	1.1
71.01380	26.6
71.60943	1.1
72.99300	2.1
73.02933	5.0
74.75729	1.0
83.01388	3.0
83.05049	1.3
85.02966	4.7
87.00873	5.9
89.02439	10.9
91.43652	0.9
95.01379	1.5
96.96020	1.3
97.06593	2.9
99.00872	1.6
99.04518	5.9
101.02443	11.3
105.72719	0.8
107.04410	1.5
107.05004	7.2
113.02471	8.0
114.59359	1.0
115.00373	14.1
116.92839	1.4
119.03475	2.4
120.99693	1.2
124.62181	0.9
125.02445	3.6
133.01439	7.2
135.04504	2.9
159.08223	1.4
159.11871	0.9
160.01694	1.2
161.04550	2.2
161.09703	6.6
161.13330	3.7
163.11241	2.0
177.23921	0.9
179.05678	1.7
187.11275	8.9
189.09212	1.9
198.84735	1.0
205.12241	5.8
207.10255	4.1
223.13385	48.0
224.13724	3.7
249.11345	4.9
261.17282	0.9
267.12357	100.0
268.12668	7.2
285.03894	1.1
301.75507	1.3
309.13501	2.6
321.68225	1.1
369.15646	1.3
383.20789	4.3
413.18344	1.0
429.17615	45.3
430.18219	2.4
457.72122	1.0
545.25726	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	545.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10793	2.0
58.00583	3.0
59.01379	38.4
61.98832	14.6
71.01382	32.6
71.60215	2.6
72.00902	4.9
72.99308	2.6
74.02468	5.7
85.02956	7.5
87.00900	3.6
89.02446	46.1
99.00842	2.3
101.02431	18.6
111.54736	1.8
113.02458	23.7
115.08796	2.1
116.05077	23.3
119.03513	14.4
121.06551	1.9
127.67824	1.8
142.06598	5.3
143.03461	2.9
145.02904	5.9
147.59271	1.7
153.05510	2.0
159.56650	2.0
159.73164	2.2
161.04558	5.6
179.05617	26.0
203.06436	3.7
203.08261	39.4
208.33160	2.0
251.04306	1.9
255.02835	2.7
276.06140	1.9
284.03149	4.1
285.03998	3.1
341.10889	100.0
342.11249	4.4
383.89636	2.0
421.01056	1.8
458.11130	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98460	3.6
57.03447	73.0
59.01380	73.1
61.98819	8.9
71.01381	11.9
71.31232	7.0
73.01150	4.4
73.02937	3.2
81.03452	2.9
83.01398	3.3
87.00851	3.3
89.02448	13.5
97.02923	3.7
99.04518	68.1
101.02445	23.3
113.02428	6.2
125.02473	32.3
143.03470	3.2
161.04512	9.5
167.30539	3.3
171.10216	6.5
197.11809	11.0
211.13448	3.5
225.14960	4.5
227.12868	3.5
247.20897	3.3
253.09300	37.6
291.19669	39.2
309.20691	100.0
310.21005	5.8
326.93442	3.3
411.45160	3.7
415.58267	3.9
434.70078	4.0
545.30048	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	544.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	13.2
59.01378	4.5
61.98828	10.6
63.96243	2.7
71.01379	4.5
71.17093	5.8
71.71694	2.5
72.00902	9.3
73.01163	6.8
73.98317	2.6
74.02469	28.4
78.19096	2.7
81.02201	4.0
82.02995	3.1
86.02480	20.9
87.05640	4.2
88.04059	4.8
97.04054	3.4
99.05639	21.3
100.00416	4.9
101.07225	4.7
102.05556	3.5
103.41151	2.9
106.70628	2.8
109.04074	4.0
125.03569	4.1
127.05161	7.4
127.08831	3.6
128.03545	100.0
134.10298	3.0
135.05673	6.6
141.06679	4.6
143.04630	88.9
145.06232	13.8
146.04597	8.9
153.06705	7.5
160.00719	9.4
166.09840	3.4
167.04626	4.0
167.08232	4.5
171.04060	3.0
171.07738	20.9
177.03493	3.4
179.04588	19.4
185.05659	9.3
199.07222	7.8
201.05261	6.2
205.66805	2.8
210.08858	22.5
217.08301	6.4
244.09383	11.4
254.07805	34.8
263.03879	2.9
272.08871	93.0
273.09427	8.6
288.06479	3.6
304.06143	26.6
305.08618	11.8
306.07648	89.5
307.07904	6.0
308.08109	3.3
328.09753	7.4
337.59113	3.6
346.10767	80.4
347.11176	3.2
395.08224	3.8
505.72348	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	543.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20672	1.7
52.04794	1.6
59.01380	100.0
62.58216	1.8
71.61724	2.0
103.15059	1.6
103.30398	1.8
103.41844	2.0
117.98615	1.7
258.72934	2.0
335.86969	2.1
359.13519	2.0
403.14410	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	543.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07788	0.7
59.01382	100.0
65.41264	0.8
71.01390	1.8
73.02963	1.1
78.67577	0.8
78.95913	2.0
85.02968	1.8
88.98833	1.3
98.20621	2.6
101.02456	3.5
140.29572	0.7
161.04594	1.4
192.75096	0.8
195.48991	0.8
223.08235	7.6
275.20358	0.8
276.95187	0.9
277.21735	37.4
278.22144	2.3
543.17914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26266	1.5
58.02983	8.4
59.01373	3.1
61.98836	28.8
67.08052	1.5
68.84641	1.4
69.50801	9.1
70.99600	2.3
71.01399	2.3
72.00919	2.7
72.05727	1.5
73.01176	43.9
73.01569	3.0
74.00726	2.0
74.02477	26.3
74.10883	1.3
78.54099	1.5
82.03017	1.9
86.02494	11.5
87.05650	4.3
90.00215	3.7
97.04082	2.3
99.05636	15.8
100.00414	6.3
101.07245	2.0
102.05596	2.2
104.98402	7.9
109.04079	2.1
112.04047	1.8
116.01792	1.4
116.99128	1.3
120.01346	1.4
123.05626	2.4
124.04018	1.9
127.05148	4.9
128.03551	75.7
135.05690	3.4
137.07246	2.3
141.06697	4.3
143.04628	77.6
144.04926	2.3
145.06200	7.8
146.04640	10.2
153.06709	5.3
160.00754	16.3
166.09904	2.7
167.04634	4.9
167.08255	3.4
169.06198	5.8
170.03256	1.6
171.07773	6.4
175.01788	3.7
177.03365	4.3
179.04631	18.9
181.06210	3.3
185.05702	4.7
192.07867	1.8
199.07303	2.8
201.05229	2.0
203.04964	3.0
210.08884	14.6
215.04855	1.6
217.08290	2.2
226.08345	1.5
244.09346	2.4
249.03665	4.7
249.05780	3.3
254.07811	25.9
272.08893	92.7
273.09238	5.6
286.05045	3.2
288.06598	8.9
304.06174	15.4
306.07657	100.0
307.07919	5.4
360.07193	2.4
378.08011	44.2
379.08240	3.9
452.09967	4.4
468.56900	1.5
506.33093	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	544.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12297	1.4
58.02974	12.2
59.01373	3.4
61.98825	11.2
63.96228	3.0
69.41078	6.3
69.41505	6.3
70.02972	3.1
72.00906	11.2
73.01171	6.7
73.98287	3.0
74.02476	29.4
81.02197	3.6
82.02993	3.6
84.04559	3.1
86.02483	22.0
86.06139	1.8
87.00872	1.7
87.05643	5.6
88.04045	4.1
89.00636	1.6
97.04044	2.4
98.02438	1.6
99.05645	23.4
100.00384	7.9
101.07208	3.5
102.00176	1.9
102.05596	3.1
103.88024	1.9
104.98409	2.5
109.04044	3.5
109.07705	1.5
112.04029	2.5
113.03572	1.8
114.00191	5.3
115.05122	3.6
117.11613	1.3
125.03553	5.4
127.05158	7.6
127.08777	4.1
128.03543	97.6
130.05099	2.6
135.05611	5.9
137.07243	2.3
141.06705	4.2
143.04625	100.0
144.04916	1.5
145.06171	15.5
146.04622	10.4
147.25351	1.8
153.06650	4.2
155.08272	3.6
157.06183	2.4
160.00739	13.2
166.09805	4.2
167.04607	5.3
167.08279	5.3
171.04111	4.3
171.07744	27.0
177.03348	2.7
179.04616	18.7
181.06203	4.2
184.10919	2.5
185.05702	10.7
197.05708	3.2
199.07257	15.1
201.05151	4.5
210.08847	20.3
217.06464	2.1
217.08301	6.4
218.05322	2.8
228.09875	1.7
244.09360	13.7
254.07808	34.0
255.08429	1.9
272.08878	96.1
273.09451	10.0
288.06607	7.3
304.06046	27.1
305.08746	12.3
306.07657	90.8
307.07864	5.5
308.07254	1.8
328.09793	9.9
346.10751	90.2
347.11142	5.5
378.08408	2.3
395.08194	8.8
545.61237	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	543.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71674	4.0
51.16557	3.7
55.57219	5.0
59.01373	35.1
61.98827	20.0
71.01395	10.9
71.10073	5.7
73.01163	55.0
78.85535	5.2
79.95737	7.6
82.47620	4.1
85.02942	4.5
86.47213	4.2
93.04601	4.1
99.00873	16.3
104.98387	7.9
111.00879	10.1
112.98806	54.6
129.00134	6.0
142.99879	26.8
173.00919	100.0
174.01694	8.9
219.74126	5.7
245.01277	6.6
247.02782	7.5
389.89557	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	100.0
59.01379	55.0
61.98829	11.6
69.03467	2.6
70.81702	5.5
71.01387	21.5
72.14562	1.6
73.02952	22.0
77.40113	1.7
78.95899	3.0
79.95732	4.1
81.03465	2.8
83.01374	7.2
85.02922	3.1
87.00857	2.2
89.02434	2.9
96.96019	2.3
99.03887	3.9
99.04523	69.7
101.02443	33.5
113.02451	7.7
123.04568	2.7
125.02451	45.9
143.90140	3.9
144.38257	1.9
161.04539	3.5
168.54782	1.7
173.00893	2.5
178.91322	2.2
180.28584	2.1
184.88425	1.8
203.05589	3.9
289.17999	2.6
364.01257	2.3
383.56918	2.0
468.77344	1.8
543.27557	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	543.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95697	0.3
55.01883	5.8
57.03452	4.0
58.00596	3.6
59.01381	59.5
60.01735	0.4
61.98831	0.7
68.99803	0.4
69.03462	1.6
71.01384	68.6
71.05023	1.1
72.01716	0.4
72.99306	4.8
73.02950	21.2
73.06593	0.5
75.00872	3.7
78.93185	0.3
81.03465	0.7
83.01392	16.0
84.01709	0.4
85.02953	33.0
86.00101	0.7
87.00878	5.2
87.04499	0.4
88.04034	0.4
89.02447	32.9
90.02777	0.5
95.01389	4.7
96.00925	0.5
97.02959	3.0
99.00882	7.9
99.04520	2.0
101.02445	70.2
102.02793	1.2
103.04019	1.4
109.02956	1.2
111.00899	1.5
113.02448	27.0
114.02779	0.6
115.04008	0.6
119.03507	14.1
125.02455	3.3
127.04012	5.9
128.03552	1.0
129.01939	2.3
131.03511	1.5
141.01996	0.5
143.03496	4.5
143.07103	0.4
145.05077	1.5
149.04575	0.9
159.02991	4.0
161.04568	21.0
163.06139	0.6
179.05629	5.2
205.03606	0.6
221.06665	0.8
235.11870	56.8
236.12201	2.0
245.06674	1.2
247.08223	1.8
252.51715	0.3
263.07730	2.7
289.09448	0.5
307.10370	3.8
323.51260	0.3
363.16492	0.5
367.12433	0.4
381.17648	86.7
382.18011	6.3
409.13651	0.7
414.23755	0.3
508.24527	0.4
543.22906	100.0
544.23145	9.0
544.30463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23500	1.0
59.01373	2.2
59.03626	1.0
61.98833	5.7
71.61259	1.6
78.96814	3.7
79.95728	1.0
80.96471	1.6
96.95438	1.6
96.96016	21.0
100.15662	0.9
104.87728	1.2
110.94012	2.2
163.04030	1.3
179.20215	1.0
181.61215	1.1
231.73509	1.1
403.55865	1.0
472.26016	1.1
543.26337	100.0
544.26642	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.1
59.01391	7.6
61.98822	6.9
71.01360	3.4
71.05003	4.0
71.61264	1.8
73.01164	1.8
73.02946	1.3
83.05011	1.8
84.08133	1.4
84.71214	1.2
87.00880	2.6
96.53758	1.3
97.02940	4.0
97.06596	2.2
99.00887	35.7
99.04510	2.3
101.02381	1.5
109.06627	2.4
109.75837	1.3
112.98806	2.4
121.10588	1.3
123.08142	2.3
125.09706	12.8
143.04649	1.5
153.12857	1.5
159.12515	1.4
161.09744	1.5
163.11281	13.0
173.00903	3.2
174.01683	8.0
179.10771	1.6
181.12354	26.3
197.11908	1.6
199.13396	17.8
207.10248	56.0
208.10701	2.1
225.11317	82.0
226.11632	3.1
243.12358	87.7
244.12709	2.0
264.21658	1.4
289.18063	3.3
299.15079	1.9
317.16055	42.9
318.16443	2.2
525.26965	3.7
543.28137	100.0
544.28394	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	543.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08319	0.7
55.01877	0.8
57.03449	11.3
57.30021	0.8
59.01382	12.9
61.98820	3.7
63.96235	1.3
70.41613	2.6
70.99602	1.6
71.01386	10.5
72.99305	1.1
73.02943	2.4
78.98602	1.9
80.96523	1.2
83.01391	4.0
85.02940	6.3
87.00870	2.1
89.00664	1.9
89.02437	1.6
97.02925	0.8
99.00250	1.1
99.00883	20.8
99.04522	9.4
101.02448	5.0
109.02946	0.8
110.86602	0.7
111.00882	9.1
112.98808	66.2
113.02435	2.0
113.99089	1.0
115.00348	3.2
116.27578	0.7
116.92892	1.9
124.98789	1.4
125.02433	5.0
125.84169	0.8
126.98576	0.9
127.00394	1.2
128.03502	1.9
129.01898	2.4
135.04518	0.9
142.99860	39.6
145.01424	5.7
161.04581	1.4
165.01927	0.9
173.00906	100.0
174.01678	11.5
175.02336	1.0
180.04393	0.8
195.06644	1.6
197.08783	0.8
245.01228	13.8
247.02795	67.5
248.02994	2.0
258.86902	1.1
261.14011	0.8
273.09167	0.9
310.97223	53.3
311.97266	2.2
314.18338	1.0
412.29147	1.0
542.32135	1.5
543.03040	6.9
543.16760	1.7
544.03540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24167	1.0
57.03444	6.8
59.01369	6.5
61.98825	6.5
71.01385	55.1
72.99316	1.7
73.02953	5.5
78.95905	2.7
80.96540	2.9
81.03452	1.2
83.01395	4.8
85.02954	26.5
87.00904	1.3
87.04514	31.9
88.98812	1.7
89.02440	2.1
95.01423	1.4
96.00885	1.9
99.00882	25.6
99.04545	3.9
101.02457	3.3
103.02227	1.3
111.00877	8.5
112.98811	73.5
113.02450	2.4
114.03837	1.1
115.00385	2.8
115.04003	1.8
116.92883	1.8
118.96574	1.0
125.02450	1.5
126.87466	1.1
126.98609	2.6
127.00395	3.1
128.03555	4.5
129.01936	2.2
130.08765	2.3
141.05577	2.5
142.99864	37.2
145.01437	8.0
149.67766	1.1
159.06622	24.9
161.04630	1.2
173.00911	100.0
174.01692	23.0
175.02386	1.5
176.98164	1.0
184.99083	1.8
201.02135	1.3
203.00215	4.1
211.22681	1.0
219.03346	3.8
245.01224	11.6
247.02818	51.9
248.02997	2.0
263.02295	18.6
264.02484	1.4
279.00061	2.0
299.01987	2.7
300.02371	1.5
310.97238	56.4
311.97470	1.7
312.06308	1.8
315.08771	4.7
327.08691	6.9
483.24335	5.1
499.30176	1.3
502.98618	1.1
507.15533	1.2
509.22733	1.1
542.31805	1.6
543.02936	16.6
543.17352	4.6
544.03607	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	542.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98022	2.2
58.02972	13.5
59.01397	2.0
61.98824	4.0
63.96234	2.3
68.39233	1.7
68.99825	1.7
69.28567	3.5
69.28977	18.5
72.00414	2.9
72.00912	6.1
72.64093	1.7
73.01171	15.6
73.98322	2.6
74.02471	31.4
81.02183	4.4
81.04632	2.3
82.02992	3.6
84.97540	2.4
86.02484	21.1
86.06136	2.5
87.05647	4.0
88.04038	3.2
97.04080	2.6
98.20632	4.6
99.05632	18.6
100.00410	5.8
101.07191	4.2
102.05619	2.8
104.98389	2.3
109.04069	3.6
111.05666	2.2
111.08344	1.8
112.04080	3.1
114.00188	4.4
120.97858	2.7
124.03994	2.6
127.05168	4.8
127.08767	3.7
128.03539	89.8
129.03847	2.9
130.05067	2.1
135.05638	3.8
141.06747	4.2
143.04623	100.0
145.06203	14.3
146.04594	10.1
153.06670	5.4
160.00755	17.7
166.09888	4.6
167.04625	5.8
167.08260	3.9
171.04092	2.6
171.07756	19.3
179.04625	20.8
181.06227	5.9
185.05666	8.0
192.07808	2.4
197.05560	3.1
199.07254	8.1
201.05168	3.4
210.08812	18.8
217.08282	4.4
241.88625	1.8
244.09332	7.1
254.07823	36.4
272.08881	95.7
273.09454	7.4
275.99573	1.9
288.06631	8.7
304.06085	30.4
305.08560	7.1
306.07639	98.8
307.07800	3.6
328.09714	4.4
346.10745	57.8
347.11313	3.3
378.08023	22.8
395.08575	4.2
452.09961	5.2
477.77219	2.3
559.11713	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	542.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	6.0
59.01378	8.6
61.98832	68.7
67.83614	2.0
69.73470	9.2
70.99608	21.1
71.01369	2.4
72.00909	2.9
73.81276	1.9
74.02477	14.9
81.02227	3.8
86.02488	12.4
87.05630	4.1
90.00209	3.1
90.42687	1.7
95.18990	1.8
98.20628	2.3
99.05656	11.2
100.00408	4.5
101.07214	2.5
112.04044	2.2
113.02441	3.2
114.00197	2.5
124.95390	1.7
125.03484	2.0
127.05145	3.0
127.08733	2.6
128.03545	51.0
132.73433	1.9
135.05624	3.0
141.06712	2.7
143.03517	3.5
143.04637	55.5
145.06187	6.6
146.04585	5.5
153.06737	4.0
160.00688	11.2
161.04520	1.9
166.09851	2.7
167.04591	3.7
169.06169	2.7
171.04115	2.4
171.07692	9.6
177.03410	3.8
179.04602	11.1
185.05655	3.9
196.09512	1.8
199.07243	3.8
210.08922	13.4
244.09286	5.7
245.43190	1.9
254.07822	16.9
272.06128	3.8
272.08887	51.8
273.09454	2.7
286.04919	3.3
288.06516	5.9
304.06073	21.1
305.08664	5.6
306.07642	100.0
307.07849	6.0
346.10794	7.9
378.08017	22.6
430.82910	2.3
523.79285	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	542.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98033	1.5
58.02973	10.8
59.01392	1.9
61.98830	9.8
63.96235	3.1
70.99338	3.5
72.00431	2.0
72.00912	6.9
72.01276	1.5
73.01182	8.4
74.02469	23.7
74.59521	1.4
81.02224	2.3
82.02992	3.0
85.55695	1.4
86.02481	15.5
87.05640	2.9
88.04061	3.8
97.04028	1.4
98.02534	2.5
99.05650	22.0
100.00444	3.6
101.07220	2.0
104.98407	1.9
109.04083	3.9
113.03624	1.9
114.00181	3.1
120.97874	2.0
124.04060	2.0
125.03561	2.5
127.05156	5.6
127.08772	3.9
127.40271	1.9
128.03546	77.3
128.83121	1.6
130.05067	2.4
135.05644	5.0
138.71799	1.4
141.06714	4.4
143.04626	84.4
144.04988	1.9
145.06192	12.6
146.04588	5.4
153.06696	6.6
155.08264	2.3
160.00758	9.9
166.09920	3.6
166.25600	1.5
167.04588	4.2
167.08215	4.1
168.05370	1.6
171.04091	2.2
171.07776	17.2
177.03438	2.4
179.04597	17.8
181.06189	4.3
185.05710	7.1
192.07805	2.8
197.05670	4.4
199.07185	9.0
201.05176	3.0
206.28191	1.6
210.08870	17.0
217.06458	2.3
217.08351	2.8
228.09885	2.8
242.07834	1.7
244.09372	6.8
254.07851	28.1
272.08871	67.6
273.09607	8.5
288.06607	5.6
304.06110	17.5
305.08752	5.9
306.07657	100.0
307.07700	3.8
328.09738	6.2
346.10757	63.0
347.11118	4.0
378.08075	4.2
395.08499	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20737	0.3
59.01381	0.7
60.99309	15.1
67.82220	0.3
68.89566	0.3
69.32473	2.6
69.32886	0.5
71.01363	0.5
87.00885	2.6
88.00400	1.0
88.01240	0.8
88.98808	100.0
89.02439	3.0
89.99122	1.0
96.95992	0.5
98.19910	0.6
121.05296	0.3
268.22476	0.4
298.80298	0.3
339.94556	0.3
544.95734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.8
61.98832	96.7
69.56243	12.5
71.01385	4.6
78.95898	3.1
86.46003	1.7
89.02441	2.2
89.05211	1.9
101.02430	2.9
113.02429	2.4
135.98999	1.7
143.04604	2.0
151.00383	2.6
173.00920	3.5
174.01639	8.3
242.02148	3.1
243.03033	23.4
255.02997	1.9
257.04526	7.5
270.01663	6.6
271.02496	30.1
278.99911	2.5
285.04019	13.2
286.04630	5.4
299.01999	9.0
300.02753	3.7
314.04333	41.8
315.04968	9.5
477.10388	100.0
478.10727	10.1
528.74915	1.8
539.35156	2.5
540.22394	1.9
540.29871	1.9
549.26508	1.8
569.06274	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73328	0.2
57.03452	0.8
59.01381	3.1
61.98832	100.0
69.37502	1.2
69.37930	1.0
71.01390	3.7
73.02952	0.9
73.85835	0.3
78.95892	0.3
83.01379	0.2
85.02956	1.3
89.02465	1.1
93.13288	0.2
98.19854	0.6
99.00887	0.6
99.04539	0.5
101.02454	2.0
101.77392	0.3
102.02830	0.3
113.02458	1.4
119.03527	0.5
125.02459	0.4
127.18221	0.3
128.03487	0.3
143.03561	0.3
143.04625	0.2
158.65509	0.3
159.03036	0.3
161.04565	0.8
172.30710	0.3
184.48424	0.3
239.48891	0.3
306.07922	0.3
400.91278	0.3
410.53073	0.3
458.73505	0.6
459.24048	0.3
480.59924	0.3
485.14835	0.3
540.26672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2141
Annotation	(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
Peak:m/z	Relative Intensity
52.17828	0.7
55.01878	0.7
57.03442	2.3
58.00587	1.7
58.02970	1.0
59.01381	14.0
60.01699	0.6
61.98837	4.2
64.39429	0.5
67.01836	0.7
71.01385	13.4
71.02490	1.2
71.60431	0.6
72.99311	3.3
73.02959	1.8
74.02474	2.3
75.00876	12.7
78.95903	1.8
83.01382	1.6
85.02957	13.8
86.04378	0.6
87.00874	3.9
89.02447	8.6
95.01401	3.1
96.00934	0.7
96.96008	2.0
99.00893	5.5
101.02446	5.9
103.00349	0.9
111.00867	1.5
113.02460	13.0
113.03568	1.5
113.07274	0.7
114.05581	3.0
115.00358	2.6
117.01945	1.1
119.03513	2.8
120.01195	0.8
127.08797	4.7
127.11279	1.5
128.03513	2.7
129.01962	1.3
129.10292	0.7
130.06219	1.2
131.11473	0.6
143.04633	2.2
153.06685	1.5
153.10316	0.9
155.10789	0.8
157.01416	1.3
157.12363	7.1
161.04625	1.1
171.07742	8.6
175.02501	2.1
185.11852	2.6
199.13583	0.8
203.12881	22.9
204.13326	0.8
210.08821	0.8
211.14439	1.1
212.11093	0.8
225.13585	1.1
245.13963	2.3
254.07942	1.2
272.08942	2.2
290.35291	0.7
306.07718	3.1
317.16031	2.0
333.15436	0.7
335.17044	0.8
343.14178	0.9
351.16641	0.8
361.14944	5.4
365.18146	13.2
366.18417	1.3
379.16049	5.1
421.17130	0.9
480.24915	1.5
497.27551	8.3
498.27478	0.9
523.20258	0.9
541.21454	100.0
541.29626	8.6
542.21759	10.2
542.29724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13580	45.8
57.77480	43.6
60.24340	49.2
61.98818	99.0
71.61104	50.4
77.52439	50.6
78.95907	100.0
161.29408	44.7
241.21640	96.1
279.23352	49.7
370.40207	48.4
381.00958	51.6
392.71307	45.3
521.70453	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22258	13.3
60.48881	12.7
61.98815	26.4
69.60271	100.0
80.96523	16.9
97.06488	14.5
98.20612	27.7
103.53819	13.9
180.43454	15.1
279.23196	78.6
323.81866	16.3
326.08627	17.5
367.91318	18.0
372.16025	14.8
539.24872	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67775	1.4
52.90147	1.3
55.01873	2.8
57.03448	12.1
58.00590	1.7
59.01378	38.0
61.98829	14.9
69.03468	1.8
69.61877	6.9
70.03000	1.8
71.01382	37.9
71.05005	2.0
72.99310	2.0
73.02937	8.2
74.02464	2.2
78.95914	4.6
83.01390	7.7
84.84371	1.3
85.02954	14.7
85.04066	1.6
85.06554	1.6
87.00871	5.1
88.04047	18.2
89.02434	15.0
93.19443	1.4
95.01376	2.8
96.95985	2.7
99.00871	3.6
99.04539	3.9
101.02444	21.3
101.07178	6.6
109.04127	1.4
113.02451	11.2
113.03578	3.3
115.07644	3.1
117.03446	5.3
119.03487	6.7
119.05025	2.9
120.99628	4.2
125.02442	2.0
126.90432	1.8
127.05120	17.1
128.03534	2.6
129.10329	7.3
134.03812	1.4
140.07144	4.5
141.06717	2.0
141.10327	1.3
145.02960	17.2
145.06207	9.1
149.02467	1.8
158.09323	5.3
158.92503	1.4
159.03078	1.8
159.18187	1.4
161.02498	2.3
161.04581	3.7
163.04045	3.4
165.05432	1.5
169.09885	1.4
175.02472	1.6
178.92961	1.5
179.05550	2.0
180.10365	2.6
187.13432	2.5
193.05113	1.7
195.11424	1.6
202.08342	3.2
207.15048	9.7
214.15640	1.9
221.06741	2.0
222.12427	6.0
223.10881	4.4
224.17879	1.7
227.03499	5.7
240.13531	4.2
252.17383	1.5
255.02940	8.3
256.03543	1.4
271.02362	1.8
271.17783	4.0
284.03244	10.2
285.04010	5.1
300.02582	2.4
315.16824	2.9
333.19019	3.3
335.20850	9.4
342.13571	3.1
353.21976	10.8
377.29105	19.2
415.62375	1.5
421.62585	1.6
479.24640	7.3
539.14105	9.3
539.28076	100.0
539.34491	84.9
539.64270	4.9
540.27765	12.2
540.36298	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	538.034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88821	0.8
56.42934	0.7
57.03437	1.6
59.01385	5.4
61.98829	11.3
63.94462	2.3
63.96221	1.1
70.42177	2.7
71.01382	3.6
73.01186	1.0
73.02930	1.0
76.97020	0.9
79.93965	1.9
79.95695	0.9
80.29584	0.7
83.01382	1.3
85.02954	2.2
89.00707	0.7
89.02441	1.4
94.96316	5.0
99.00868	3.0
99.04521	1.3
101.02426	2.3
104.98370	0.8
111.00815	0.8
112.98820	9.2
113.02454	0.9
119.03490	0.8
119.94160	0.9
127.95734	0.9
129.02026	0.8
137.03062	10.1
141.72000	0.7
142.99854	5.8
151.00554	0.9
152.05397	100.0
153.05688	3.4
154.22560	0.9
173.00912	14.7
174.01695	81.1
175.02061	2.4
184.02509	0.9
200.41475	0.7
211.13431	1.1
215.99831	8.5
233.08308	0.9
245.01218	1.7
247.02852	1.7
259.68521	0.8
279.00003	20.8
280.00449	1.2
285.04077	1.0
316.11566	0.7
347.87378	0.7
537.32245	4.2
538.03229	2.2
538.33099	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	539.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	31.9
60.33080	1.3
67.58273	1.6
71.01389	33.9
71.08842	2.8
73.02943	3.8
77.38641	1.5
78.95906	1.4
83.01363	2.4
85.02952	7.0
87.00887	4.9
89.01910	3.0
89.02447	47.1
91.94947	1.4
92.00552	1.6
97.02956	2.1
101.02444	20.3
113.02444	17.2
119.03508	8.0
121.46278	1.5
125.00118	1.6
129.01923	2.0
131.03473	2.8
143.03470	4.4
146.14781	1.7
149.04504	1.5
161.04477	9.5
179.05614	31.8
221.06686	7.6
223.03371	1.5
234.10941	1.6
263.07477	1.7
293.83243	1.7
323.09937	9.7
341.10818	5.9
363.90027	1.6
377.08551	10.2
383.11652	1.9
425.66342	1.8
503.16183	100.0
504.16479	9.6
539.13806	59.7
540.14044	5.9
541.37885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3281
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01884	0.5
57.03447	5.0
58.00562	0.6
59.01381	20.1
61.98830	10.7
63.94466	0.6
64.95248	2.9
71.01382	9.0
71.61127	0.4
71.61606	0.4
72.99294	0.8
73.01180	0.9
73.02948	1.8
79.93954	0.9
79.95754	0.5
83.01373	1.9
83.05029	0.3
85.02950	3.3
87.00877	1.8
89.02441	4.7
94.96306	1.3
95.01372	0.5
96.85031	0.4
96.96011	0.8
97.06594	0.6
99.00899	1.2
99.04524	5.1
101.02441	6.5
111.00875	1.1
112.98811	3.0
113.02433	2.3
115.00387	0.5
119.03511	1.8
125.02431	5.0
129.00139	0.6
137.03014	1.2
142.99867	1.9
152.05391	16.4
153.09219	0.4
157.12350	0.9
169.12349	0.6
173.00914	6.4
174.01691	17.6
175.02538	0.4
185.11801	1.4
195.06619	0.4
215.12936	0.5
217.01810	0.5
230.74121	0.4
247.02769	0.9
278.99988	3.5
327.21790	0.4
329.23318	1.7
357.26361	4.9
373.25864	1.1
375.27475	15.8
376.27774	1.4
477.34766	0.7
519.31720	2.7
537.32788	100.0
538.03546	0.6
538.33112	11.5
545.40887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98563	1.0
56.36566	1.2
57.03449	10.1
59.01381	34.1
61.98829	33.9
63.94453	2.0
63.96231	2.5
64.95248	14.2
71.01383	16.3
71.61449	1.7
73.01169	1.3
73.02950	3.0
79.93957	4.0
83.01380	2.5
85.02955	6.1
87.00869	3.7
89.02441	5.6
94.96314	9.9
95.01398	1.5
99.00893	4.8
99.04507	3.6
101.00658	2.8
101.02436	9.7
112.98835	12.0
113.02441	4.2
119.03473	1.5
125.02428	6.1
129.00172	3.8
137.03053	10.9
142.99873	12.8
152.05397	100.0
153.05743	3.2
161.04434	2.2
163.06082	1.4
173.00900	35.0
174.01691	94.9
175.02132	3.6
182.57521	1.4
189.01170	1.2
211.13443	1.8
217.01784	4.1
245.01418	1.6
247.02827	4.8
277.99136	2.6
278.99979	19.9
306.07855	1.4
330.99414	1.4
357.26398	5.8
375.27484	16.2
376.27795	4.2
391.35742	1.3
420.15204	1.3
477.34253	4.8
478.34860	1.9
519.31226	2.0
537.32764	99.1
538.03192	4.3
538.33130	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03450	24.3
58.00597	2.8
59.01381	100.0
61.98831	54.6
69.03448	2.3
71.01386	46.0
71.61294	1.4
72.99314	3.7
73.02952	22.1
74.00677	0.9
75.00869	1.0
75.11045	1.0
81.03443	2.4
83.01388	9.4
85.02951	20.3
85.73785	0.9
86.00099	2.9
87.00883	10.9
87.04534	2.3
89.02444	23.6
95.01385	1.9
97.02961	2.8
99.00875	5.0
99.04529	23.9
101.02450	57.5
102.02775	1.3
102.14069	1.0
103.04018	14.7
105.07124	0.9
111.00869	1.2
113.02461	13.5
115.03988	2.9
119.03507	9.7
125.02454	22.2
125.03294	0.8
127.04008	1.5
129.00133	1.4
131.03517	16.7
141.12042	1.0
142.99893	1.2
143.03503	8.3
145.05061	5.6
151.11319	1.2
153.01929	1.5
157.12354	1.2
159.02954	1.2
159.23534	1.0
160.04037	3.2
161.04550	11.2
163.06125	54.8
164.06517	1.0
173.00900	2.9
174.01640	2.5
205.07162	18.3
221.06660	5.8
229.07249	1.4
247.08224	3.4
255.11345	1.1
265.09247	7.1
297.08701	1.1
299.10428	2.6
307.10294	4.0
307.17377	1.3
325.08173	4.0
331.17581	8.5
342.13467	1.6
343.09253	1.9
349.18604	2.8
357.26437	1.2
365.71030	1.1
367.12326	8.5
375.11902	1.1
375.27469	2.6
387.13443	1.2
477.23419	28.8
478.23627	2.6
537.17114	1.4
537.32733	40.0
538.32996	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	537.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12638	0.8
61.98829	74.7
70.74225	1.7
75.44930	0.7
78.95902	23.1
96.96964	1.8
122.00110	1.7
137.50473	0.8
140.01205	5.8
147.65053	0.7
152.99576	1.7
189.73114	0.8
196.03778	9.2
213.41949	0.8
214.04919	2.6
255.23282	100.0
256.23608	5.7
302.95016	0.8
340.21039	1.5
452.27814	48.7
453.28122	4.2
476.19617	0.9
537.25555	20.7
537.33752	1.1
538.26190	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	74.0
57.46786	0.9
57.54853	1.0
59.01381	100.0
61.98517	1.9
61.98832	31.5
67.70598	1.1
68.12297	0.9
71.01384	10.2
71.61333	1.2
72.99296	1.4
73.01165	4.1
73.02943	3.3
75.00871	3.2
79.93957	3.7
81.03448	3.2
83.01389	3.2
85.02947	6.5
87.00865	2.2
88.09764	1.0
89.02428	2.7
92.94733	2.3
96.96078	1.1
99.04518	77.7
101.02448	19.4
104.98389	2.1
112.98788	2.4
113.02447	4.6
119.03452	1.0
125.02448	56.4
142.53601	1.1
142.99826	2.2
143.03436	1.6
161.04562	3.1
173.00943	2.8
174.01642	2.7
175.02472	2.7
259.74902	1.0
261.75375	1.1
262.46664	1.0
289.16528	1.6
307.17584	6.4
334.74521	0.9
349.18735	12.6
375.27448	2.3
499.02081	1.2
509.33484	1.0
536.31415	2.9
537.32782	19.3
538.33203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03455	58.9
59.01382	100.0
60.01707	1.4
61.98832	32.2
71.01389	24.3
71.61669	1.7
73.01186	1.7
73.02940	5.0
80.96519	1.3
81.03458	2.7
83.01407	2.7
83.05025	3.0
85.02953	8.7
87.00861	2.8
89.02451	16.5
95.01379	2.4
99.00890	2.6
99.04528	62.0
101.02447	29.7
113.02474	10.5
119.03496	7.0
123.04523	2.0
125.02460	33.4
131.03455	1.4
142.99886	1.5
143.03525	3.3
161.04594	7.8
168.33125	1.4
173.00969	1.6
179.05624	15.2
221.06683	3.5
307.17578	4.3
313.80106	1.3
327.85678	1.3
349.18674	10.5
357.26318	1.6
373.62952	1.1
375.27249	2.0
477.23401	9.4
477.34354	3.6
536.31219	3.4
537.32715	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15745	1.0
56.88697	1.0
57.03448	60.9
59.01380	100.0
61.98832	54.2
66.77348	1.1
69.40202	10.2
71.01381	12.9
72.99332	1.7
73.01185	3.2
73.02937	5.9
73.31722	1.1
79.93983	1.2
81.03474	3.1
83.01405	2.8
85.02961	6.2
86.73136	1.2
87.00875	4.4
89.02454	6.2
96.96001	1.4
98.19863	2.3
99.00902	2.5
99.04519	61.7
100.04816	1.4
101.02442	24.2
105.67672	1.1
112.98833	2.5
113.02430	6.1
115.03996	1.9
119.03517	2.6
125.02449	35.6
131.03488	1.8
143.03532	3.2
150.03314	1.2
154.97946	1.2
161.04568	4.3
163.06136	5.7
166.03331	2.0
167.03714	1.1
173.00929	2.3
174.01645	1.9
175.02469	1.4
178.72067	1.2
180.89688	1.0
187.81564	1.3
205.07109	1.5
207.62646	1.1
307.17648	3.6
331.17584	1.5
334.62732	1.3
342.13358	2.0
349.18683	9.3
367.12079	1.4
369.99103	1.2
375.27084	2.9
391.19662	2.1
477.23334	4.0
537.32758	29.4
538.32477	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	537.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	2.4
57.03450	29.3
59.01380	47.9
60.99306	16.2
61.30909	1.3
61.98830	16.8
71.01389	17.3
71.61776	2.1
73.02950	5.9
78.95903	1.4
81.03469	1.8
83.01385	3.8
85.02937	7.7
88.98808	100.0
89.02446	10.4
95.01381	2.1
99.00896	1.7
99.04524	24.1
101.02454	19.6
111.00868	2.0
113.02449	9.1
119.03450	3.5
125.02462	14.3
143.03545	1.5
149.02565	1.4
149.04520	2.2
161.04559	2.9
179.05615	2.4
179.08395	1.3
199.42654	1.3
203.37990	1.2
227.03514	3.0
255.02869	6.3
283.02237	1.6
284.03195	4.3
285.03964	2.2
349.18884	1.5
375.27481	8.2
447.09332	10.6
477.23337	4.7
537.19843	2.5
537.32874	42.6
538.32935	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83203	2.8
57.03452	3.2
58.00586	4.9
59.01380	100.0
60.01683	2.6
61.98825	19.3
64.83215	2.6
71.01384	67.4
72.99310	8.0
73.02971	7.5
82.03007	5.2
83.01389	5.0
84.91364	2.6
85.02941	17.1
87.00887	9.4
89.02448	88.8
95.01379	2.8
96.12043	2.5
99.00937	3.4
101.02444	30.7
103.16719	3.0
108.02183	3.4
108.57510	2.6
109.02972	7.6
113.02465	38.6
115.00376	5.2
115.02229	3.6
117.03485	4.1
119.03508	34.4
119.05019	5.1
124.04035	11.0
128.03554	13.2
129.00746	2.9
131.03517	3.1
136.01671	4.7
141.06700	6.3
143.03468	7.3
145.02888	4.7
145.20665	3.1
147.04483	2.6
148.04359	4.0
149.04544	5.0
151.00633	8.3
151.03998	5.2
161.04549	9.9
167.04654	4.9
175.02428	8.3
175.03944	3.7
176.04672	5.1
179.05675	15.8
182.02721	3.6
183.03622	6.6
184.04391	6.7
206.68758	2.7
215.02559	5.8
223.19194	2.8
226.01736	4.1
226.39377	2.9
227.03445	3.4
231.00269	3.5
251.07507	3.8
255.03079	4.7
267.06180	3.7
279.06717	8.1
284.03275	6.8
285.03979	4.8
285.95044	2.8
294.09186	3.6
297.11343	4.3
312.10129	7.8
316.09698	5.2
327.12378	43.8
346.10931	3.1
372.50269	3.4
378.10104	3.0
428.42487	3.1
519.15723	4.1
537.16394	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	536.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12620	0.9
57.03447	1.2
58.62877	0.9
59.01380	54.1
61.98830	100.0
67.05616	1.0
71.01387	10.7
73.02931	2.7
83.01362	1.5
85.02950	3.9
89.02466	5.3
99.04539	1.5
101.02440	7.0
105.52222	0.9
112.15329	1.0
113.02438	4.1
119.03499	2.0
125.02445	1.1
128.03477	1.0
149.04530	1.2
149.90437	0.8
159.02893	1.1
161.04543	1.7
163.96812	0.9
189.12877	1.0
207.13937	1.6
214.82907	1.0
225.14963	2.6
230.40341	1.1
273.49118	1.0
369.19156	15.9
387.20142	12.3
429.21262	11.0
493.97424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.00944	0.7
59.01381	41.6
61.98831	100.0
69.49329	1.7
69.49754	1.6
70.17499	0.4
71.01390	2.9
73.02968	1.7
85.02960	0.9
87.00893	0.5
89.02443	1.8
91.37005	0.5
98.15614	0.5
99.04544	0.5
101.02457	2.2
102.14775	0.4
111.40136	0.5
113.01231	0.5
113.02473	1.0
118.68723	0.5
123.08182	1.7
125.02437	0.7
131.84753	0.5
137.09796	0.5
151.42133	0.4
161.04611	1.3
163.11304	1.3
181.01334	0.5
189.12888	2.1
203.05666	0.5
207.13924	4.0
225.15013	1.5
243.08835	0.9
285.04370	0.6
387.20480	1.0
429.21140	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	536.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98524	0.8
56.51461	0.8
57.03447	0.9
59.01381	100.0
60.01729	0.9
61.98833	94.9
67.92872	0.8
71.01392	7.3
71.56635	0.8
71.61310	1.4
73.02942	2.6
82.70261	0.8
83.01394	1.5
85.02951	2.3
87.00868	1.1
89.02450	4.7
97.37133	0.8
97.56175	0.8
99.00845	1.2
101.02442	5.4
112.10499	0.7
113.02463	4.2
115.00425	0.8
119.03528	1.8
123.08180	1.1
125.02505	0.9
137.46388	0.7
143.03499	0.9
143.04613	0.8
149.04605	3.2
151.00397	0.8
161.04568	3.1
163.11221	1.6
171.30977	1.1
179.05580	1.4
189.12831	1.3
207.13940	2.4
218.18401	0.9
226.48102	0.7
284.03378	1.5
285.03992	1.6
308.07458	1.1
387.20004	1.5
429.21268	4.9
468.94797	0.8
525.36694	0.9
537.20349	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	535.9853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14347	0.5
59.01370	0.7
60.90700	0.5
61.98832	100.0
69.85806	2.2
78.95907	2.5
97.44045	0.6
102.50690	0.5
120.19376	0.6
146.74554	0.5
152.99544	2.4
173.00938	1.1
174.01674	3.6
174.02913	0.4
220.69336	0.5
256.98151	1.0
265.21851	0.5
279.00046	4.3
342.94406	2.6
350.33615	0.5
359.83035	0.5
535.23383	0.6
559.37360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.9851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19983	0.5
53.27117	0.4
53.66287	0.6
59.01379	0.9
61.98832	100.0
70.18130	1.9
71.01392	0.6
77.83109	0.5
78.95900	1.2
101.02439	0.6
112.98787	0.7
133.63477	0.5
142.99892	0.7
147.43242	0.6
152.99602	1.7
161.14423	0.5
173.00980	1.4
174.01675	8.5
247.02654	0.6
279.00037	6.0
342.94461	3.6
437.86844	0.5
536.24414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03450	16.6
58.00599	0.8
58.03799	0.7
59.01381	26.4
60.01725	0.6
61.98832	100.0
66.01942	0.4
69.49657	3.3
71.01391	8.8
72.99316	1.0
73.01168	0.6
73.02939	2.7
75.00879	0.7
81.03484	0.8
83.01405	1.6
85.02950	4.3
87.00897	1.4
88.98792	0.5
89.02449	3.6
96.96007	4.8
97.02975	0.5
99.00901	1.2
99.04521	15.2
100.04871	0.9
101.02451	8.7
108.70377	0.5
113.02448	3.2
119.03525	1.4
125.02456	7.7
126.02810	0.7
142.99883	0.7
143.03534	0.8
161.04535	1.7
173.00935	1.4
174.01643	0.9
176.03531	0.5
185.11827	1.9
204.03004	1.5
225.15048	0.6
235.05942	0.4
236.05699	0.7
247.02773	0.5
285.69241	0.5
343.09418	0.7
343.24844	0.6
355.24948	2.2
373.22223	0.6
373.26074	3.9
374.26401	0.7
391.23331	1.7
392.24017	0.6
449.14835	2.1
450.14966	2.1
491.15967	1.3
492.16385	1.2
517.30377	0.7
535.31262	30.9
536.15186	0.5
536.31567	11.9
537.32312	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	534.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96751	1.1
61.98819	3.0
71.52966	1.7
74.72754	1.0
78.09196	1.1
78.95911	23.8
79.04308	1.0
82.18093	1.0
83.37023	1.1
116.89084	1.1
122.00100	1.2
140.01166	6.6
152.99553	2.9
196.03827	12.6
255.23296	100.0
256.23621	7.3
268.17740	1.2
343.18945	1.0
452.27838	60.8
453.27899	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03453	2.4
58.00599	5.4
58.69757	0.3
59.01379	88.7
60.01722	0.5
61.98830	1.2
62.43435	0.3
69.03476	0.5
69.90202	1.4
71.01383	66.8
71.24869	0.3
72.01716	0.9
72.99309	6.4
73.02966	1.3
75.00874	0.7
83.01388	2.4
83.60799	0.3
85.02950	10.9
87.00875	3.7
89.02444	100.0
90.02793	1.0
91.38953	0.3
95.01383	4.2
96.96027	0.5
99.00898	0.7
99.04520	1.5
101.02444	33.4
102.02769	0.4
111.00895	0.4
113.02449	26.1
113.05831	0.3
114.02755	0.8
119.03502	36.3
120.03865	0.5
123.04520	0.3
125.02425	1.1
128.03523	0.9
131.03500	4.6
134.03775	0.4
139.00360	0.3
142.99812	0.3
143.03508	5.8
143.04555	0.5
145.40315	0.3
149.04549	4.1
160.01549	0.3
161.02408	0.3
161.04555	7.1
175.04030	0.4
177.01990	0.3
179.05612	17.1
180.06070	0.3
193.05153	0.4
206.65692	0.3
255.63853	0.2
257.57440	0.3
272.08951	0.4
296.62091	0.2
306.07639	0.7
307.08060	0.4
327.08698	0.5
353.10425	0.5
387.12625	0.3
488.71744	0.3
527.62146	0.3
533.26874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39957	1.6
51.44861	1.5
55.77528	1.6
57.03437	5.1
59.01382	73.7
60.10796	1.5
61.98833	100.0
63.08580	1.5
63.39258	1.8
69.68951	8.4
71.01384	20.6
71.80513	1.5
73.02954	14.9
74.02476	2.8
75.49515	1.5
80.78180	1.7
83.01375	4.3
83.94006	1.9
85.02957	7.4
87.00883	4.0
89.02455	10.2
94.63382	1.6
95.01369	2.4
97.02976	2.1
99.00877	2.6
99.04530	3.9
99.05633	1.9
101.02455	13.8
113.02457	9.3
119.03465	4.9
125.02446	3.4
125.06103	2.1
125.76579	1.6
128.03513	7.0
131.03503	2.2
134.03737	2.0
138.06854	9.9
139.07646	3.8
143.03532	3.3
143.04617	7.4
149.04559	3.0
151.07617	7.2
152.08444	15.9
153.09210	56.4
161.04558	8.0
175.04103	2.1
203.05551	2.6
205.12331	18.4
221.06741	2.3
223.13362	19.6
254.07724	2.8
272.08759	3.2
306.07755	11.1
367.17575	14.4
385.18610	5.3
427.19727	19.1
493.23062	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	534.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
57.03444	13.0
58.00591	2.1
58.03790	1.9
58.41808	1.8
59.01382	100.0
60.01715	4.4
61.01818	2.0
61.98837	45.9
66.02663	1.6
69.03452	2.7
71.01385	81.3
72.01705	4.7
72.99325	3.6
73.02953	36.6
74.03278	1.8
81.05950	1.6
83.01407	12.9
85.02950	21.0
87.00864	6.8
89.02454	49.4
90.02794	3.2
95.01383	4.8
97.02959	13.5
99.00884	5.4
99.04527	10.1
100.04874	2.1
101.02449	86.4
102.02774	9.3
109.02912	1.7
113.02454	38.3
114.02796	7.2
115.04025	4.0
119.03505	23.0
120.03826	3.2
125.02451	6.0
125.99416	1.8
128.03525	4.7
131.03488	5.3
143.03525	15.6
144.03859	2.5
149.02446	4.9
149.04564	5.5
149.06010	1.5
150.03207	9.9
153.09222	3.2
161.04572	52.0
162.04893	11.7
164.04778	2.7
165.05582	9.6
179.05620	30.1
180.05917	7.0
195.06636	8.0
202.70778	1.5
203.05470	2.0
205.12398	7.6
208.03754	4.3
221.06660	9.3
223.06105	18.8
234.15854	2.1
252.07439	2.7
263.07620	5.6
264.07755	3.4
267.06583	2.3
279.06546	2.1
280.06778	3.3
283.09164	1.7
295.05792	2.7
310.08032	4.1
324.06003	2.0
327.08521	2.3
339.08325	5.2
341.10178	5.9
342.10684	9.6
353.10318	4.1
354.10657	15.5
367.17502	5.6
371.11151	4.8
372.11749	7.0
385.18784	4.3
389.21057	2.9
419.13171	2.7
427.19696	13.7
433.23434	1.9
491.98828	1.7
505.68369	1.8
522.63605	1.5
534.17358	2.8
534.26373	5.7
541.93121	1.6
558.15131	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	533.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.8
57.03450	7.9
58.00600	5.0
59.01382	92.6
61.28497	0.6
61.98831	12.4
66.13754	0.6
69.03464	1.3
69.29889	6.4
71.01385	88.5
72.99308	3.8
73.02950	23.5
75.00882	0.9
81.03456	1.3
83.01391	17.8
84.02210	0.8
85.02436	1.4
85.02955	33.3
87.00872	5.3
89.02448	65.1
90.02776	0.9
95.01416	6.6
97.02958	7.8
99.00889	7.1
99.04523	3.5
101.02445	100.0
102.02798	0.8
102.69697	0.6
105.01971	0.6
112.55799	0.6
113.02454	40.5
114.02824	1.0
115.04015	2.6
119.03506	32.3
121.02941	1.2
122.37565	0.6
125.02444	3.8
128.03473	0.7
129.01961	1.2
131.03499	5.9
143.03500	14.9
143.04594	1.1
147.04460	0.6
149.04536	3.4
153.09241	1.1
159.03000	3.6
161.04562	50.2
162.04919	1.1
165.09164	0.8
175.03964	0.7
179.05611	36.5
180.05891	1.0
205.12349	0.8
209.30460	0.7
221.06639	7.0
223.13400	9.2
239.07130	0.8
245.06744	0.7
251.07146	3.8
263.07678	7.7
264.07901	1.8
265.08588	0.8
266.05753	1.3
267.06665	5.4
279.06622	5.0
282.08923	3.3
294.05374	2.3
294.08951	2.8
295.06207	1.5
297.11374	1.3
307.06168	1.1
309.07736	1.6
310.08398	1.3
322.08426	1.9
323.05582	6.8
324.05850	0.8
326.08014	2.2
338.07919	5.3
341.10294	16.5
342.10529	0.7
353.10306	23.7
354.10760	1.9
371.11578	1.2
371.20654	9.9
372.21136	0.8
379.73282	0.8
497.26114	1.0
533.26031	39.6
534.26251	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	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.3
57.03450	7.8
58.00587	5.0
58.80243	0.8
59.01379	92.6
60.01698	1.0
61.98831	4.7
69.03448	1.6
69.29169	8.2
70.18856	0.7
70.79013	0.7
71.01383	88.3
72.01694	1.2
72.99294	5.9
73.02946	22.5
77.47794	0.8
81.03414	1.0
83.01387	16.0
85.02953	34.1
87.00885	5.7
88.98802	0.9
89.02446	68.2
90.02761	1.5
95.01380	6.3
97.02944	6.9
99.00880	7.7
99.04505	2.8
101.02441	100.0
113.02451	40.8
115.03993	2.2
119.03502	32.0
121.02937	1.0
125.01614	0.8
125.02425	4.1
131.03499	4.6
143.03514	14.8
143.28314	0.7
149.04552	3.6
159.02965	3.1
161.04556	52.3
162.05112	0.9
174.01651	2.6
179.05606	38.1
186.80887	0.7
191.03459	1.0
197.79482	0.9
221.06697	5.6
251.07162	0.9
262.86945	0.8
263.07635	8.3
267.06595	2.4
279.06546	1.3
280.99646	1.1
281.47678	0.9
282.08978	1.3
294.05286	1.3
294.08932	0.8
309.07660	1.8
323.05566	1.1
326.07602	0.9
338.07858	2.5
341.10233	4.1
353.10245	8.1
354.10480	1.2
371.11292	5.2
371.20770	10.7
372.20737	1.4
395.10794	0.8
494.53268	0.9
533.17871	2.5
533.25970	41.5
534.26263	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	533.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.8
57.03450	7.9
58.00600	5.0
59.01382	92.6
61.28497	0.6
61.98831	12.4
66.13754	0.6
69.03464	1.3
69.29889	6.4
71.01385	88.5
72.99308	3.8
73.02950	23.5
75.00882	0.9
81.03456	1.3
83.01391	17.8
84.02210	0.8
85.02436	1.4
85.02955	33.3
87.00872	5.3
89.02448	65.1
90.02776	0.9
95.01416	6.6
97.02958	7.8
99.00889	7.1
99.04523	3.5
101.02445	100.0
102.02798	0.8
102.69697	0.6
105.01971	0.6
112.55799	0.6
113.02454	40.5
114.02824	1.0
115.04015	2.6
119.03506	32.3
121.02941	1.2
122.37565	0.6
125.02444	3.8
128.03473	0.7
129.01961	1.2
131.03499	5.9
143.03500	14.9
143.04594	1.1
147.04460	0.6
149.04536	3.4
153.09241	1.1
159.03000	3.6
161.04562	50.2
162.04919	1.1
165.09164	0.8
175.03964	0.7
179.05611	36.5
180.05891	1.0
205.12349	0.8
209.30460	0.7
221.06639	7.0
223.13400	9.2
239.07130	0.8
245.06744	0.7
251.07146	3.8
263.07678	7.7
264.07901	1.8
265.08588	0.8
266.05753	1.3
267.06665	5.4
279.06622	5.0
282.08923	3.3
294.05374	2.3
294.08951	2.8
295.06207	1.5
297.11374	1.3
307.06168	1.1
309.07736	1.6
310.08398	1.3
322.08426	1.9
323.05582	6.8
324.05850	0.8
326.08014	2.2
338.07919	5.3
341.10294	16.5
342.10529	0.7
353.10306	23.7
354.10760	1.9
371.11578	1.2
371.20654	9.9
372.21136	0.8
379.73282	0.8
497.26114	1.0
533.26031	39.6
534.26251	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	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.6
57.03448	9.4
58.00574	2.9
59.01381	84.0
61.98802	1.2
69.03437	2.8
70.16157	3.4
71.01383	96.0
72.01706	1.1
72.99303	4.3
73.02949	27.3
75.00863	2.4
77.61958	1.0
80.42439	0.9
83.01395	18.8
85.02955	41.6
87.00882	5.4
88.98853	1.1
89.02445	55.2
95.01391	7.4
97.02925	3.4
98.20529	1.3
99.00883	9.8
101.02444	95.6
102.02724	1.1
107.11477	0.9
113.02452	44.6
119.03502	23.7
125.02471	2.2
128.16788	0.9
129.01909	2.4
131.03462	2.1
137.09689	2.6
143.03537	8.0
148.56851	0.9
149.04578	2.0
159.03023	6.4
161.04556	40.4
162.04861	1.4
162.52902	1.3
174.86890	1.1
179.05591	14.8
209.15491	7.2
223.74287	1.0
255.02754	0.9
284.03204	1.8
359.32669	1.0
371.20731	100.0
372.21130	6.7
499.51620	1.1
525.24969	1.1
533.26013	86.0
534.26337	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	533.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
56.46173	0.3
57.03444	1.9
58.00597	4.9
59.01380	91.7
60.01716	0.6
61.98839	1.0
65.93094	0.3
71.01383	67.2
71.61273	0.5
72.01724	0.5
72.99310	5.3
73.02948	1.8
75.00879	0.5
78.65678	0.3
81.03460	0.3
83.01384	2.0
85.02953	10.1
87.00882	3.8
89.02445	100.0
90.02781	1.3
95.01390	3.3
97.02915	0.4
99.00864	0.6
99.04530	1.2
101.02444	29.9
102.02804	0.6
111.00899	0.3
113.02451	25.8
119.03504	33.8
119.88792	0.3
120.03811	0.7
125.02444	1.4
128.03558	0.7
129.01906	0.4
131.03499	3.7
134.03658	0.5
142.99849	0.4
143.03513	5.8
143.04585	0.6
149.04552	3.4
161.04564	6.0
175.04103	0.4
177.01904	0.4
179.05609	16.9
199.32085	0.3
233.74713	0.3
272.08746	0.4
282.64883	0.3
306.07428	0.7
307.07840	0.5
327.08231	0.4
335.17059	0.5
342.13370	0.6
434.56271	0.4
438.70230	0.4
489.21268	0.4
534.23859	0.3
546.20917	0.4
553.34009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.4
57.03451	12.5
57.47912	1.7
58.00602	2.4
59.01382	75.2
61.98831	15.3
69.60963	13.7
71.01385	85.0
72.99290	5.3
73.02952	26.9
78.98557	2.2
83.01396	16.3
84.77039	1.8
85.02958	38.1
87.00848	6.1
89.02448	51.3
95.01353	6.5
97.02976	2.9
98.20679	4.3
99.00857	8.0
99.04485	5.4
101.02446	84.3
113.02449	43.8
119.03501	20.3
125.02415	4.7
128.03535	4.4
131.03494	3.8
143.03445	9.4
143.04543	4.5
149.04509	3.9
159.02937	4.9
161.04562	28.4
173.00859	4.6
174.01643	2.0
179.05640	10.3
193.04990	1.8
207.08171	2.1
209.15450	4.4
251.07057	4.2
276.27753	2.1
279.06516	6.3
284.03168	2.7
294.08658	2.9
306.07556	6.4
314.85626	1.8
322.08298	2.8
323.05463	7.7
338.07870	7.7
353.07080	1.8
353.10281	18.0
371.20676	67.8
371.24353	2.8
372.20926	6.5
393.83698	1.9
466.60529	2.0
533.25769	100.0
534.26117	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	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03443	2.7
58.00589	1.1
59.01380	24.5
61.98822	7.8
69.65787	3.9
71.01381	20.6
72.99322	1.0
73.02946	7.1
74.73535	0.6
83.01405	3.7
85.02960	9.6
87.00857	2.3
89.02448	13.5
95.01369	1.1
99.00880	3.5
99.04523	1.5
101.01769	1.4
101.02442	21.1
113.02457	10.6
119.03533	6.5
125.02452	1.7
131.03506	0.9
143.03487	2.1
145.02939	2.8
159.03055	1.2
159.04541	1.1
161.04546	9.9
163.00403	1.3
165.12860	3.3
170.67215	0.7
179.05603	4.6
191.14464	2.0
193.05031	0.6
195.08147	0.7
207.08142	1.9
209.15501	0.9
211.04073	0.8
219.08154	0.7
223.07657	2.6
227.03433	4.4
229.05011	1.7
233.06117	2.0
234.06735	1.1
235.07671	3.7
250.06337	1.9
251.07133	15.0
252.07500	1.1
255.02957	8.9
257.04706	1.2
261.05630	1.6
262.06369	2.9
263.07092	8.9
264.07843	5.9
266.09497	0.9
267.06653	0.8
277.08682	0.8
278.09473	1.4
279.06616	23.0
280.06976	2.3
282.08990	1.2
284.03293	11.7
285.04019	20.4
286.04459	1.5
293.08298	1.9
294.08963	7.2
295.06110	5.9
306.05557	1.0
307.06067	3.8
308.06961	0.9
309.07635	0.8
309.11365	0.9
310.08569	3.5
321.07736	2.2
322.08383	6.7
323.05634	21.5
323.09201	1.8
324.05853	2.1
337.07120	2.6
338.07941	28.3
339.08362	2.0
353.10297	100.0
354.10519	8.4
371.20654	6.5
443.49240	0.7
489.10440	6.0
490.10898	1.0
533.17261	1.4
533.25482	14.0
534.26270	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.7
60.90420	1.0
61.98813	1.6
63.02370	1.3
69.46335	3.1
69.46755	4.0
70.74507	1.0
91.26092	0.8
93.03438	1.2
94.56905	1.0
101.02471	1.1
107.01364	2.0
113.79663	0.9
128.64185	0.9
132.02129	1.7
135.00926	1.8
143.04904	1.2
151.00369	1.1
159.04578	1.0
163.00327	3.1
183.04562	1.5
185.06032	2.3
187.03972	2.8
199.03957	1.4
201.05635	1.1
211.03983	2.4
213.05486	2.1
227.03496	25.3
228.03862	1.5
229.05008	10.6
239.03510	1.6
241.04939	1.4
251.06932	1.4
255.02983	52.6
256.03403	5.8
257.04483	7.7
279.06558	2.6
283.02478	1.2
284.03259	75.8
285.04028	100.0
286.04404	6.9
304.02921	1.0
306.07501	1.5
322.08353	1.0
323.05426	2.6
333.64932	0.9
338.07834	2.2
353.10236	8.5
429.07910	1.4
489.03503	2.0
489.10388	32.3
490.10754	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75227	1.4
55.01858	1.9
57.03433	5.4
57.83115	1.4
59.01382	22.9
61.98831	15.8
69.60828	9.9
71.01381	15.7
73.01150	1.7
73.02946	4.5
79.15038	1.7
85.02937	5.1
87.05616	1.6
89.02454	12.0
93.03463	1.8
99.04505	4.9
101.02448	18.3
107.01393	2.5
112.98775	2.5
113.02488	8.1
116.53139	1.5
119.03503	4.4
119.81451	1.6
125.02448	3.2
129.10330	1.9
131.46976	1.4
136.23711	1.5
143.03514	2.8
151.00333	2.4
158.09279	2.9
161.04529	9.0
163.00386	2.4
164.07124	4.1
171.67252	1.5
173.00943	2.5
174.01707	8.0
179.05600	6.6
183.04562	2.0
187.04028	2.3
211.04010	3.9
213.05615	1.8
227.03499	31.6
228.03964	2.0
229.05043	8.2
239.03561	2.6
255.02975	64.1
256.03445	7.0
257.04471	5.3
263.07568	2.8
279.00000	3.6
280.99728	2.3
283.02374	2.4
284.03271	94.9
285.04016	100.0
286.04349	7.0
348.05112	1.5
353.10342	6.3
371.11414	2.9
429.07889	1.6
489.10367	55.1
490.10846	5.7
495.04944	1.8
532.31799	8.2
533.17584	2.2
533.30920	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	532.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86726	1.0
55.50016	1.0
57.03442	2.6
59.01381	7.2
61.98826	6.2
63.22330	0.9
63.96238	1.7
68.99836	1.0
69.06686	1.0
69.95461	4.5
70.99609	22.4
71.01391	7.9
72.99334	1.7
73.01190	1.2
73.02957	1.5
76.97034	3.7
83.01398	2.6
85.02954	5.1
87.00874	1.6
89.00668	54.7
89.02447	2.3
99.00880	12.0
101.00662	1.5
101.02467	2.9
111.00883	4.6
112.98815	33.0
115.00393	2.8
116.92846	1.0
128.03549	1.3
129.00180	6.3
129.01891	1.1
137.03056	2.5
141.00145	3.7
142.99863	22.6
143.00995	1.2
145.01425	4.1
152.05402	14.1
167.10747	2.7
173.00911	100.0
174.01599	5.5
184.02591	21.3
220.23274	1.0
232.93123	1.0
245.01349	4.8
247.02792	16.7
294.00363	0.9
300.02609	0.9
301.03534	2.5
410.47339	0.9
439.31467	1.1
514.55194	1.1
532.07855	1.0
532.28174	1.5
533.13129	1.2
533.29468	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	532.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
63.56700	1.3
71.01385	2.4
71.61837	1.8
74.94334	1.2
76.53514	1.5
78.95908	14.4
87.00883	2.4
88.32364	1.3
92.67194	1.3
96.96026	2.9
96.96988	1.7
110.56882	1.2
112.98093	2.2
112.98792	11.3
126.04060	1.6
152.99567	4.9
154.99890	7.2
178.88414	2.8
179.89079	1.7
180.90009	5.4
196.89478	52.1
255.23189	1.9
271.23581	1.6
277.21826	4.0
279.23236	3.0
359.94305	1.6
533.16174	4.0
533.29095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03185	3.9
57.03448	60.0
59.01092	5.5
59.01379	83.1
61.44807	2.7
61.98829	3.1
69.41547	4.6
69.41950	16.5
71.01382	22.8
73.02940	6.2
77.82604	2.9
80.02707	2.3
81.03526	2.6
85.02955	7.7
87.00853	2.6
89.02443	15.6
89.43839	2.6
99.04517	86.3
101.02433	22.1
113.02463	11.3
119.03524	5.1
125.02444	42.2
143.03416	4.8
152.17001	2.9
225.14912	9.0
369.19089	37.7
387.20239	100.0
388.20471	6.0
389.33972	2.6
429.21277	6.2
531.24683	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	532.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	7.1
59.01383	1.8
61.98830	8.9
63.94462	6.6
63.96247	1.3
64.95254	4.8
66.03469	1.1
70.66653	3.1
70.99607	1.6
72.00895	2.4
73.01186	1.3
74.02473	19.7
78.96816	15.6
80.77356	0.9
82.03006	1.3
86.02474	8.5
86.99115	1.0
87.05632	3.8
88.04053	1.2
88.98769	1.9
90.00233	1.2
93.85979	0.9
96.04579	1.0
97.04072	1.7
98.20051	1.1
99.04525	1.0
99.05635	14.9
100.00400	1.9
101.07197	2.3
102.05615	1.8
104.98369	3.8
109.04076	2.1
109.07700	1.0
110.94022	6.9
111.05641	1.3
112.04025	2.1
123.05556	1.4
124.03969	0.9
125.03519	1.9
127.05148	3.9
128.03543	52.0
135.05635	4.7
136.95567	1.1
137.07242	1.6
141.06694	4.3
143.04623	68.4
144.04985	1.3
145.06178	4.1
146.04611	7.5
153.06679	3.8
155.08325	1.1
160.00735	10.9
166.09856	2.5
167.04578	2.9
167.05975	0.9
167.08275	2.7
171.04134	1.1
171.07739	5.3
175.02284	1.2
177.03452	6.0
179.04605	14.4
181.06166	2.2
183.51888	0.9
185.05698	4.7
192.07820	2.1
197.05669	2.3
199.07265	1.6
210.08827	15.5
254.07808	21.7
272.08871	39.5
273.09235	2.5
286.04874	1.5
288.06586	12.8
304.06116	1.6
306.07642	100.0
307.07941	5.2
346.10764	2.3
378.08026	5.4
434.08859	0.9
447.13239	1.1
452.09827	5.2
532.07428	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	531.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.0
57.03444	5.1
58.00606	4.1
59.01381	63.7
61.98820	4.4
63.78474	0.7
64.38865	0.7
69.03464	2.2
69.37404	5.8
70.99220	0.7
71.01385	74.9
72.01708	1.3
72.99336	3.7
73.02951	28.1
75.00875	2.0
75.22732	0.7
75.68493	0.8
81.03454	1.2
83.01392	25.4
84.39713	0.7
85.02953	17.4
86.00103	1.2
87.00877	8.8
89.02448	58.9
95.01385	6.3
95.64502	0.6
97.02952	18.4
99.00883	3.3
99.04503	2.0
101.02446	100.0
102.02767	1.2
108.02132	1.3
111.00874	1.0
112.33407	0.7
113.02454	27.9
113.03249	1.7
115.04042	3.8
119.03506	25.7
125.02444	5.1
125.06062	1.4
128.03532	0.8
129.01901	1.0
131.03508	8.8
139.91249	0.8
143.03508	20.9
143.04604	1.5
149.04582	2.8
149.09669	1.0
159.02977	2.5
161.04562	91.4
162.04884	2.5
164.07758	0.8
165.12854	16.3
166.13208	1.2
174.01535	1.1
179.05615	56.1
180.06007	0.9
189.12852	0.9
203.11108	0.8
207.13895	28.6
208.14349	0.8
219.13902	2.0
221.06671	25.9
221.15588	1.3
222.06976	1.2
231.14032	1.4
236.92319	0.7
249.14990	1.7
263.07703	17.0
291.16150	0.9
303.24835	0.9
388.08667	1.0
417.04349	0.8
478.48962	1.0
531.26379	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	89.9
59.01380	97.5
60.01711	0.6
61.98834	1.6
69.01200	0.5
70.99148	1.2
71.01373	7.5
73.02943	1.9
78.91897	4.4
81.03465	2.9
83.01389	1.5
84.98973	0.6
85.02953	2.8
87.00864	0.9
89.02463	4.6
99.04521	100.0
100.04861	1.6
101.02447	20.8
113.02451	4.0
119.03508	2.7
120.01225	0.6
123.08150	3.9
125.02449	44.6
126.02796	1.7
137.09723	1.3
137.11568	0.6
143.03488	4.7
161.04597	4.2
163.11293	2.0
173.00920	1.2
174.01704	8.9
179.05614	2.5
189.12828	5.4
207.13879	5.6
214.05605	0.7
225.14853	2.7
253.95338	0.6
279.00018	2.6
387.20349	4.9
401.44882	0.7
429.21375	4.4
469.23682	0.7
531.27454	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64588	1.1
57.03453	72.6
58.00580	1.2
58.03784	2.6
59.01382	95.5
60.01729	1.1
61.98821	7.3
69.45934	1.9
69.46340	8.4
71.01389	25.9
72.99311	1.3
73.02953	4.6
74.02474	2.3
74.54336	1.0
78.57877	1.2
78.95934	1.4
81.03473	3.0
83.01385	4.3
85.02949	8.2
87.00889	3.1
89.00692	2.3
89.02441	13.7
95.01376	2.0
96.96039	1.4
99.00896	2.8
99.04523	100.0
100.04858	3.1
101.02452	28.1
112.98809	1.6
113.02459	12.9
116.92881	3.9
119.03481	4.9
123.08183	1.6
125.02448	48.2
126.02775	2.4
128.03539	5.7
134.03728	2.4
143.03499	6.2
143.04626	5.1
152.08476	1.4
153.09218	1.4
159.02914	1.3
160.01782	1.4
161.04570	11.0
163.11282	1.6
174.01671	4.5
179.05618	2.7
183.23349	1.2
193.05009	2.6
205.12469	1.5
207.13849	3.9
223.13358	2.8
225.14867	2.2
254.92349	1.1
272.08981	4.5
279.00018	2.7
290.85443	1.1
300.02664	2.6
306.07733	10.1
369.19159	9.4
378.08020	1.7
387.20197	25.5
388.20432	1.6
429.21201	6.1
439.24744	1.2
531.02448	2.0
531.24365	3.8
532.23883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.3
57.03449	10.7
58.00583	5.0
59.01380	93.0
61.98827	16.3
69.03442	2.4
71.01385	86.5
71.61405	2.4
72.99298	6.0
73.02951	33.4
73.23402	1.2
74.02460	1.4
81.03438	2.2
83.01389	18.9
85.02960	21.9
86.03281	1.5
87.00879	10.1
88.98818	1.5
89.02447	67.2
89.66753	1.3
95.01396	8.8
97.02959	21.3
99.00875	4.8
99.04523	14.3
101.02448	100.0
102.02765	2.4
107.77195	1.2
112.98814	3.2
113.02450	32.8
114.02857	1.5
115.00381	1.7
115.03992	4.3
119.03505	26.9
119.41602	1.2
120.01250	1.5
125.02460	8.3
128.03516	3.6
131.03540	7.2
142.99850	2.0
143.03485	18.8
143.04642	3.5
149.04562	2.4
161.04568	73.4
162.04901	2.1
173.00963	7.8
174.01717	31.6
175.02144	2.4
179.05632	47.4
180.05927	2.0
221.06679	12.5
247.02829	1.8
254.07768	1.4
263.07715	16.5
272.08780	4.7
279.00058	14.3
280.99884	1.6
387.20337	2.8
495.05234	1.9
531.01697	2.1
531.28412	9.5
532.23242	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	531.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.4
59.74820	1.8
61.98841	3.2
65.56184	1.6
70.00465	6.3
71.01387	19.5
72.99317	4.0
73.02961	4.2
73.04059	2.2
74.02497	3.1
75.00886	17.6
78.95924	2.6
83.01404	22.5
85.02963	2.6
87.00879	34.0
88.04057	2.2
89.02473	4.0
96.96014	2.2
98.20512	3.0
99.00893	4.5
102.05637	2.4
103.59258	2.0
108.02182	10.6
111.00904	5.3
112.98772	2.7
113.02459	5.2
115.00376	66.9
123.04523	9.3
128.03563	10.3
131.05008	9.4
132.85982	1.7
134.03751	7.8
135.03011	6.0
136.93167	1.7
139.00400	4.6
142.99879	6.5
145.02908	3.5
146.04643	2.1
147.04558	5.9
148.05315	85.6
149.06110	9.9
157.01450	6.8
161.02437	6.8
162.03261	5.9
162.06937	1.9
163.03999	4.4
163.07675	39.9
164.04800	5.8
166.38261	1.9
169.07698	5.9
172.10942	2.9
173.00966	2.6
174.01706	23.5
174.95155	1.7
175.02492	100.0
175.03964	5.7
176.02747	2.5
177.05515	9.1
179.07155	8.6
188.04803	8.6
188.09250	2.2
192.04283	7.8
195.06572	2.5
199.08775	3.2
203.07101	9.9
205.01451	5.1
206.05904	6.5
207.06625	44.0
219.06534	2.1
220.03798	6.3
221.04559	3.4
221.08194	22.4
225.13693	2.5
235.09526	2.2
245.08098	1.9
247.01331	1.7
251.05618	45.7
263.09259	5.3
265.07132	5.0
279.08826	2.0
309.06186	3.0
337.07596	1.8
383.09763	11.1
393.29602	1.8
402.20032	3.9
413.10910	94.2
414.11255	7.4
427.12384	2.6
471.11420	15.5
492.88364	2.0
495.11179	2.4
531.13318	10.6
531.24023	16.6
532.24182	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01098	0.4
59.01381	6.9
61.98820	0.9
64.95230	0.6
70.09719	0.3
71.01383	6.4
71.17045	0.4
72.99293	0.4
73.01160	0.5
73.02956	0.8
78.95895	0.8
83.01367	0.7
85.02950	1.2
85.81381	0.3
87.00881	0.9
89.02439	6.1
99.00874	0.5
101.02439	6.5
113.02460	2.8
118.15881	0.3
119.03505	1.3
134.95824	0.7
143.03506	0.6
145.14368	0.4
161.04524	2.8
167.10738	0.7
174.01773	0.6
179.05652	0.9
179.14368	0.4
195.13907	8.6
196.14421	0.7
205.12462	0.6
205.15970	0.4
211.13364	0.8
223.13382	6.5
224.13687	0.5
228.13708	0.8
231.21123	0.5
253.09274	29.5
254.09630	1.2
256.13220	1.3
265.21808	0.4
275.20154	5.9
276.20578	0.5
293.21225	100.0
294.21552	8.2
391.12195	0.4
403.49203	0.4
447.13425	1.5
492.22159	0.8
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
56.15223	0.2
61.98825	0.5
62.67100	0.3
66.32025	0.3
68.67241	0.3
78.95905	18.4
81.69638	0.3
82.13927	0.3
82.51131	0.3
108.50786	0.4
111.71024	0.3
152.99612	2.8
168.04321	3.6
202.75981	0.3
224.06900	7.9
229.55623	0.4
242.08040	1.6
255.23294	100.0
256.23657	7.3
480.30945	59.4
481.31320	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	531.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18946	2.0
57.03449	89.0
58.03783	3.1
59.01092	3.4
59.01381	51.8
61.98839	17.1
64.98928	2.0
71.01379	25.3
73.02940	6.0
74.02453	4.6
75.00859	2.0
78.95950	2.6
81.03447	6.8
83.01392	5.2
83.65065	2.6
85.02953	19.5
87.00866	7.9
88.04051	4.3
88.98801	4.3
89.00671	2.7
89.02454	15.4
93.79700	2.0
95.01406	5.9
97.02991	2.7
98.20672	4.8
99.00864	4.2
99.04522	100.0
100.04833	3.0
101.02449	27.4
101.80005	2.0
108.02176	7.6
113.02450	24.4
113.03620	2.3
113.07224	2.6
115.08772	4.2
119.03545	4.9
122.03716	2.2
123.00898	27.4
123.04535	3.5
124.01664	42.1
125.02456	62.7
126.77370	2.3
128.03540	9.5
130.08656	2.7
131.04723	2.1
134.03809	2.8
138.03201	17.5
139.04010	42.3
140.04335	2.9
143.03510	4.6
143.04532	4.0
145.05083	12.4
146.08231	8.9
147.08574	3.1
148.05302	2.4
149.02361	2.7
150.03258	16.8
152.01141	15.7
153.01495	7.1
161.04546	10.0
165.05571	25.1
167.03484	23.4
168.03886	8.5
175.04007	2.7
179.05656	3.2
183.06628	3.0
193.05070	2.8
196.14572	5.0
214.15558	5.4
218.10295	8.0
241.05090	3.6
255.02695	2.3
272.08954	4.0
283.08136	4.3
304.05957	7.0
306.07574	4.2
325.09207	32.4
328.03137	2.2
337.07373	2.6
343.10342	6.8
352.23276	2.3
353.23660	3.1
370.20215	2.5
370.24466	11.5
371.24948	4.5
400.25732	3.3
422.44489	2.9
530.28320	5.3
531.12012	2.8
531.29156	10.6
532.28436	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.4
57.03449	12.9
58.00602	2.5
59.01381	94.5
61.98817	4.1
69.03441	4.9
71.01385	65.0
72.99305	4.3
73.02955	39.2
75.00878	4.3
83.01382	13.4
85.02957	37.0
87.00877	12.7
87.04545	4.0
89.02454	37.9
95.01367	6.7
97.02968	7.5
99.00893	3.6
99.04519	14.8
101.02452	80.7
103.04022	18.3
107.88005	2.4
113.02461	21.2
115.03999	7.2
119.03511	15.8
120.01277	4.4
120.97832	2.3
124.01625	2.6
125.02451	25.5
127.04029	2.7
129.09175	3.7
131.03491	5.0
143.03525	16.8
145.05038	6.2
161.04561	10.6
161.09666	6.1
161.11824	4.5
163.06133	74.6
179.05659	3.8
205.07141	13.6
205.12305	3.5
223.13393	10.6
229.07239	2.4
229.55080	3.2
247.08153	6.9
265.09238	10.6
266.66565	2.2
305.08295	2.7
307.10300	3.9
323.17056	21.5
325.11447	4.4
466.98013	2.3
469.22928	100.0
470.22952	7.2
529.19440	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	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04025	0.5
57.03449	0.8
59.01384	10.4
61.98524	0.6
61.98824	1.9
64.70789	0.5
70.35799	0.7
70.36121	1.2
71.01392	7.7
71.05000	0.8
73.02930	1.3
78.95922	0.5
81.46592	0.5
82.54227	0.5
83.01397	0.9
83.05029	0.5
85.02966	1.5
87.00890	0.9
89.02454	7.2
95.01408	0.6
95.42204	0.5
96.19864	0.6
101.02456	8.5
112.56270	0.5
113.02448	3.6
119.03491	2.7
121.10249	0.6
134.95740	0.6
143.03484	0.6
161.04585	4.2
171.10258	2.3
179.05685	1.7
195.13918	3.5
223.13376	2.9
227.39496	0.5
231.21153	2.2
235.08194	0.9
235.17035	26.9
236.17387	1.8
253.09288	37.2
254.09586	1.2
275.20154	41.5
276.20416	3.1
286.15652	0.6
293.21237	100.0
294.21497	7.6
296.07813	0.6
409.58487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	64.8
58.00603	1.6
59.01382	83.7
61.98844	1.6
69.29921	7.2
69.30347	4.3
71.01385	41.7
72.99303	1.4
73.02945	8.7
74.77650	1.0
75.02145	1.2
75.14557	1.1
81.03453	3.3
83.01397	2.4
83.22469	1.3
85.02952	12.4
87.00881	2.5
89.02450	31.3
95.01369	3.4
95.40495	1.2
99.00890	2.8
99.04521	100.0
101.02444	38.5
102.02811	1.1
113.02456	27.5
119.03513	11.3
121.17528	1.1
125.02454	49.9
130.94666	1.1
131.03532	1.7
143.03535	6.8
149.04585	1.8
151.07526	1.1
151.78773	1.2
153.09261	3.0
161.04576	16.4
173.00893	1.4
174.01675	2.9
175.01855	1.3
179.05611	12.8
179.10832	1.3
205.12289	13.4
221.06557	1.5
223.13387	1.9
311.10373	3.0
312.10721	4.2
331.67285	1.2
341.12445	4.3
356.09772	2.8
361.02609	1.1
367.17615	20.3
368.17828	1.4
385.18661	41.4
386.18942	3.8
387.12064	2.7
388.12323	7.2
427.19662	6.2
485.23819	2.8
529.23480	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	529.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43490	3.5
52.02164	3.3
55.01632	3.7
59.01379	80.3
61.98827	9.7
64.76418	3.8
71.01382	3.9
71.61903	5.9
71.62561	4.0
73.01179	3.9
79.95728	3.1
81.03466	3.6
85.02935	3.2
96.96030	4.6
104.33788	3.4
127.02218	6.6
134.60992	3.7
136.96338	3.7
152.82463	3.9
174.01750	4.9
190.41187	3.4
196.65660	3.8
209.11827	100.0
210.12332	5.2
305.51166	3.9
347.25296	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	529.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84926	0.9
57.03148	1.0
57.03448	66.3
59.01381	74.8
61.98817	2.9
64.73515	0.8
69.63454	6.5
71.01385	17.2
73.02947	4.8
81.03466	3.3
83.01376	2.1
85.02956	7.4
87.00876	1.2
89.02454	2.5
93.97228	0.9
95.01385	2.0
97.02946	0.9
99.00884	2.3
99.04520	100.0
100.04839	2.3
101.02442	17.8
103.33959	1.0
109.21046	1.0
109.21866	1.1
110.09651	0.8
113.02446	7.1
113.06081	1.9
115.00313	1.1
115.09426	1.1
125.02448	59.7
126.02779	1.1
143.03482	3.8
145.05089	1.4
153.09224	5.5
161.04543	11.0
165.09184	3.3
181.27414	1.2
187.11209	1.8
193.12263	1.6
203.05670	2.1
205.12280	6.4
221.11797	2.6
222.12640	2.1
223.13393	26.9
224.13678	1.2
259.05341	1.0
356.24158	1.0
367.17545	12.6
427.19482	2.1
539.98584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	60.2
59.01380	73.4
61.98823	2.7
62.25434	0.9
62.74199	0.9
63.10736	1.0
68.88649	0.9
69.35164	9.0
71.01385	20.1
73.02950	3.7
81.03448	2.7
83.01390	2.8
85.02969	8.3
87.00874	1.6
89.02448	8.2
95.01412	2.5
96.95957	0.9
97.02924	1.5
98.20659	1.7
99.00858	2.0
99.04523	100.0
100.04845	2.1
101.02448	19.2
103.21313	0.9
113.02464	12.4
117.68676	1.0
119.03502	2.2
125.02450	51.7
126.02818	1.2
138.06886	2.8
139.07689	1.2
142.99796	1.1
143.03511	5.4
151.07681	4.8
152.08429	11.4
153.09216	27.1
154.09479	1.3
156.06339	1.1
159.02997	1.0
161.04562	7.6
163.11215	1.2
174.01718	3.0
190.09943	1.1
195.59529	0.9
205.10475	1.6
205.12334	20.9
223.13394	9.7
279.00089	2.1
288.66003	1.0
367.17612	20.1
368.17935	1.7
385.18689	20.0
386.19052	1.5
427.19559	8.8
428.20346	1.0
467.22626	1.7
485.24072	3.8
516.72833	1.0
529.22845	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	529.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27234	1.9
55.97253	2.0
57.03450	100.0
59.01090	3.6
59.01380	58.5
68.11600	2.1
69.27930	22.6
69.28268	5.0
71.01374	20.6
73.02937	9.7
81.03429	3.6
83.01388	5.6
85.02950	6.0
89.02425	8.6
91.53886	2.0
95.01408	2.3
99.00835	2.9
99.03886	4.3
99.04520	80.3
101.02452	28.8
113.02448	12.7
119.03519	2.6
119.05029	19.9
125.02454	60.8
143.03494	5.8
161.04529	3.4
161.23099	2.0
190.81413	2.2
205.08647	3.6
223.13309	2.6
281.10342	15.2
299.11368	3.0
303.48428	2.5
323.11356	30.8
341.12415	14.7
383.13376	3.1
418.39368	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	529.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	96.3
59.01382	68.9
60.81707	1.8
61.98839	8.5
71.01385	25.1
72.99310	2.3
73.02955	15.2
80.96534	10.3
81.03468	4.9
83.01389	8.0
85.02953	6.3
87.00922	2.8
89.02462	12.6
94.98109	1.8
97.02950	2.1
99.00893	2.9
99.04521	100.0
101.02451	37.1
105.87107	1.9
109.02942	1.7
113.02452	12.0
113.03613	2.2
119.03511	4.4
119.05027	17.6
120.04581	3.2
121.09528	1.8
121.23604	1.6
125.02452	58.4
128.03545	5.2
130.08734	2.2
131.03516	2.1
137.06071	3.7
139.00410	2.6
143.03506	2.7
157.01337	3.0
161.04591	5.7
175.02481	2.7
179.30751	1.9
205.12381	2.6
225.00882	2.1
261.05389	1.9
281.10297	15.8
323.11356	29.4
341.12473	12.0
383.13251	3.8
529.19781	15.2
529.29968	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	529.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66967	1.1
57.03452	23.4
59.01381	58.8
61.98829	14.1
64.95249	1.4
68.99781	1.0
69.03452	1.5
70.63317	3.2
71.01385	17.8
72.99293	1.4
73.01159	1.6
73.02942	4.4
74.02481	4.5
75.00850	2.2
78.95898	1.2
81.03424	2.3
83.01385	4.3
85.02964	7.2
87.00871	4.8
89.02437	10.8
95.01385	1.9
95.04993	1.0
96.00912	1.8
96.95994	1.9
98.02476	1.6
99.00874	3.1
99.04521	100.0
99.92593	5.0
101.02444	16.9
104.98351	1.2
111.00883	2.3
112.98813	7.7
113.02439	9.5
115.00380	7.0
115.92059	5.9
116.92825	5.5
119.03481	4.8
120.01260	16.4
120.97855	2.4
125.02454	14.6
125.07207	2.4
128.03534	2.1
129.00217	1.1
129.10295	1.4
130.08720	3.0
132.63020	1.3
137.07210	4.1
137.84798	1.1
142.99838	8.4
143.03551	2.0
143.04630	5.1
145.01382	1.6
151.08766	1.3
161.02475	1.2
161.04584	1.8
166.02710	1.9
169.06165	3.9
173.00926	14.5
174.01701	80.2
175.02513	10.7
176.02878	1.2
177.03419	11.7
179.05624	1.7
181.06357	5.6
192.01595	1.8
195.03676	1.2
205.12308	6.0
215.05017	2.6
225.14911	3.0
245.01303	3.2
247.02776	1.9
272.08652	1.2
279.00015	28.2
280.00323	1.5
295.33609	1.2
306.07617	1.5
369.19229	19.3
387.20230	18.9
429.21262	20.8
493.04764	18.9
494.04980	1.7
528.31793	1.5
529.02155	4.1
529.22168	1.5
530.08472	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	529.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83941	3.2
56.85801	3.5
57.03450	26.7
59.01382	65.8
61.98830	100.0
64.46732	3.0
64.95224	3.2
70.99426	9.2
71.01379	28.9
72.99319	4.6
73.02959	5.5
78.95922	6.6
83.01407	4.6
83.05023	3.9
85.02972	12.9
87.00887	6.4
89.02456	11.9
95.01355	5.2
96.00928	5.3
96.96030	5.9
98.02489	3.8
99.00892	7.9
99.04527	68.3
99.92589	41.0
101.02447	20.3
104.98420	4.0
106.38639	3.5
112.98836	7.2
113.02448	14.0
113.99579	8.2
115.00381	6.7
115.92075	44.8
116.92866	60.5
119.03532	6.0
119.05022	6.6
125.02482	21.9
125.03278	3.3
130.08734	6.1
142.99892	7.3
143.03484	3.3
161.04552	9.2
173.00937	8.6
174.01697	68.5
175.02330	3.1
179.05690	5.1
179.10838	5.3
205.12358	13.0
217.01802	4.2
223.13319	7.7
227.03444	8.4
242.96077	6.1
245.01291	5.9
247.02812	4.4
255.02974	9.7
256.03589	4.2
259.07202	8.3
260.07693	6.7
260.97165	4.1
279.00012	31.9
284.03247	9.7
285.03714	5.2
301.20007	4.1
333.04321	14.9
367.05002	8.3
447.09338	10.4
493.04755	20.9
528.31256	8.0
528.71851	4.5
529.02362	5.6
529.10046	6.0
529.23694	5.4
530.26263	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	528.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13999	1.1
50.64419	1.2
56.56901	0.9
58.02974	14.0
61.98843	1.2
62.70433	1.0
63.94444	5.9
64.95249	13.0
66.03492	1.6
69.32077	1.1
70.02960	1.7
70.63277	3.5
71.01383	1.2
72.00916	3.0
73.01175	3.9
74.02472	24.4
75.02742	1.6
75.85220	1.1
81.04582	2.1
82.02983	3.1
84.04538	1.4
86.02489	16.1
86.06139	2.2
87.05650	3.9
88.04025	1.9
96.04575	1.2
97.04068	3.3
99.05643	23.2
100.00423	2.2
101.07213	4.6
102.05627	3.9
104.98418	2.3
106.99953	20.5
107.06167	1.8
109.04063	4.7
109.07721	1.4
111.05642	3.0
112.04056	3.6
115.05107	1.2
122.84148	1.1
123.05689	2.4
124.04037	1.4
125.03603	2.3
127.05138	6.0
127.08761	2.6
128.03542	89.3
129.03888	1.7
135.05661	6.5
137.07230	2.2
141.06726	3.0
143.04623	100.0
144.04967	1.6
145.06186	6.3
146.04596	9.2
153.06660	6.7
155.08281	2.2
158.01944	1.2
160.00752	4.9
166.09819	4.0
167.04611	4.0
167.08263	4.6
170.03278	2.7
171.04106	3.4
171.07719	9.4
177.03435	8.7
179.04623	28.0
181.06168	3.6
185.05682	8.2
197.05676	5.5
199.07249	4.0
210.08824	26.4
228.09900	1.4
244.09291	1.7
254.07808	54.4
255.08168	2.4
272.08871	77.6
273.09280	4.1
288.06586	12.9
302.78992	1.1
305.08490	2.6
306.07635	39.4
307.08112	1.7
452.09586	2.1
508.72183	1.1
510.12180	2.5
519.32440	1.1
528.13464	21.3
529.13696	3.3
552.88428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77237	51.1
52.63675	70.9
58.71488	55.3
61.98825	100.0
78.95920	77.3
94.19815	56.8
96.96045	69.9
138.71947	60.1
138.87914	58.6
207.32094	67.2
436.39017	68.7
474.38843	62.8
550.00531	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17154	1.3
58.02972	13.7
61.98777	1.6
62.52867	1.2
63.94462	4.4
64.95252	12.2
66.03472	1.7
70.02991	1.5
70.92872	3.2
72.00907	4.5
73.01178	4.9
74.02481	24.3
75.02740	2.5
81.04560	2.3
82.02966	2.0
86.02467	14.4
87.05634	4.4
88.04050	2.0
91.05708	1.2
97.04102	4.0
99.00874	1.5
99.05633	19.6
100.00405	2.2
101.07224	4.2
102.05608	3.3
104.98352	2.7
105.44270	1.5
106.99943	19.1
109.04092	5.4
111.05634	2.2
112.04055	2.9
123.05666	2.6
125.03577	2.5
127.05131	6.4
128.03539	83.9
129.03949	2.2
134.29391	1.7
135.05626	9.1
141.06693	3.2
143.04625	100.0
144.04980	2.5
145.06184	5.3
146.04597	9.8
153.06680	5.6
155.08328	1.6
160.00722	5.4
166.09827	4.4
167.04602	3.2
167.08238	4.1
170.03374	1.8
171.04059	3.0
171.07718	7.6
177.03427	7.5
179.04652	25.2
181.06157	3.8
185.05663	6.0
192.07794	2.7
197.05664	5.2
199.07256	4.2
210.08847	26.4
217.08133	1.8
228.09793	2.4
254.07814	57.6
255.08083	2.1
272.08868	75.7
273.09387	5.2
288.06528	9.3
305.08618	3.5
306.07635	27.2
307.07889	2.1
452.09937	1.8
510.12497	3.1
528.13348	22.6
529.13672	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76885	1.7
54.22440	1.6
55.22062	1.7
57.03452	2.8
59.01385	15.9
61.98838	2.7
65.11192	1.7
68.99835	2.2
71.01390	25.1
71.19134	2.3
72.99314	7.0
73.02944	2.7
75.00880	21.7
77.45589	1.7
80.96528	3.4
85.02958	28.4
86.48815	1.8
87.00881	8.8
89.02438	5.1
95.01411	6.2
99.00888	11.7
103.00373	3.1
113.02451	37.4
115.00401	2.3
129.01836	2.0
130.58353	1.7
137.33698	1.6
146.16774	1.7
175.02419	3.9
177.94762	2.0
185.47026	1.7
249.06146	10.1
267.07263	8.1
277.02673	2.0
277.21729	62.7
278.22107	3.1
509.27502	4.1
527.28693	100.0
528.28925	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01377	6.7
61.98824	1.8
71.01372	4.0
71.09513	1.4
73.01181	0.9
76.35403	0.6
83.01400	0.6
83.05031	0.6
85.02944	1.1
89.02428	3.1
89.56555	0.7
91.04576	0.6
95.05011	0.7
99.00870	4.3
101.02433	4.3
101.17960	0.6
111.08150	7.0
113.02457	1.3
119.03494	1.2
125.09724	2.0
161.04546	1.5
163.11301	0.8
165.12900	1.0
167.10789	1.6
177.12787	1.3
179.10728	2.1
181.12386	1.1
183.13921	4.1
185.11885	1.0
195.13899	5.7
207.10280	3.6
217.81310	0.6
225.11276	6.4
227.12994	0.7
243.12355	3.4
247.20587	1.8
253.09273	17.0
254.09734	1.1
273.18610	3.0
291.19656	100.0
292.20013	7.3
301.16528	0.9
317.16055	1.7
527.28625	9.5
528.29224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04692	1.6
57.03450	96.0
58.03767	1.7
58.48081	1.3
59.01381	89.5
61.98829	56.5
63.31578	1.2
67.22131	1.3
69.59273	10.0
71.01386	7.3
72.99304	4.5
78.95866	1.4
79.95749	2.9
81.03439	3.2
82.72984	1.2
83.01392	3.0
85.02973	3.5
87.00879	2.2
89.02464	1.7
90.17075	1.5
96.96019	1.4
99.00875	1.6
99.04522	100.0
100.04868	2.2
101.02445	15.9
113.02444	4.4
117.43546	1.4
120.08212	3.5
125.02450	33.7
134.06140	3.9
142.99919	2.0
143.03522	3.3
161.04582	2.5
161.48601	1.3
164.07155	6.1
174.01703	2.4
182.41129	1.5
249.34962	1.4
326.56439	1.4
329.23367	2.2
330.23672	1.9
340.10449	3.9
467.36084	5.2
527.18799	1.4
527.27661	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	527.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
58.00572	0.8
59.01384	20.0
70.05209	2.1
71.01386	14.2
72.99310	1.5
73.02947	2.3
74.70679	0.7
83.01389	2.5
85.02961	6.0
87.00921	1.2
89.02445	7.6
92.57495	0.6
95.01392	1.1
99.00860	0.9
99.04513	0.6
101.02449	11.6
111.00912	1.2
113.02464	5.1
119.03497	1.9
132.36778	0.7
157.12338	0.9
161.04553	1.1
161.81175	0.6
165.10309	0.6
203.12849	1.6
344.13583	0.8
347.17130	2.9
365.18164	23.0
366.18320	0.8
394.28427	0.7
399.05286	0.9
457.89761	0.7
525.89655	0.7
527.23450	100.0
528.16730	1.2
528.23773	8.9
528.30518	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	526.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27974	1.2
58.02967	8.1
62.97511	1.2
63.94478	1.4
64.95231	1.3
66.03498	1.5
70.98932	1.6
72.00896	1.8
72.66397	1.2
73.01171	27.7
74.02473	24.2
75.65717	1.2
82.02989	3.1
86.02493	14.1
86.06118	1.5
87.05639	3.9
97.04066	3.1
99.05643	21.3
100.00403	1.9
101.07205	4.2
102.05579	3.0
104.81233	1.2
104.98392	17.5
107.06163	1.7
109.04076	3.2
109.07719	1.5
111.05639	2.4
112.03999	1.9
117.83557	1.3
123.05620	2.5
125.03559	3.5
127.05119	4.3
128.03542	77.0
135.05629	4.3
137.07199	1.9
141.06676	2.7
143.04626	100.0
144.05002	1.8
145.06174	5.0
146.04587	9.1
153.06680	6.5
155.08243	1.6
160.00713	17.0
166.09813	4.8
167.04674	6.4
167.08218	3.9
171.04092	1.9
171.07770	4.3
173.65256	1.4
177.03403	5.7
179.04625	21.7
180.05020	1.5
181.06216	4.8
184.10912	2.1
185.05620	4.5
192.07706	1.6
197.05621	5.0
199.07257	2.8
203.01338	2.2
210.08847	24.9
211.09177	1.4
228.09882	2.1
231.04402	2.3
249.05626	2.8
254.07826	38.9
254.10509	1.8
255.08119	1.5
272.08881	79.7
273.09186	5.0
281.50052	1.5
288.06583	16.5
289.07141	1.4
306.07663	88.3
307.07874	3.9
360.06970	2.1
378.07913	18.9
526.11639	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	526.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.1
59.01382	47.4
61.98828	3.8
64.53923	3.7
71.01387	40.6
71.60619	6.7
72.64042	4.6
72.99305	16.8
73.02960	9.4
75.00886	52.9
75.50409	4.3
77.96796	4.0
83.01426	7.2
85.02961	17.8
87.00893	9.6
89.02444	27.0
89.02911	4.7
91.06618	4.1
95.01363	4.5
99.00888	4.8
99.04518	4.6
101.02461	28.0
112.98802	3.8
113.02464	19.7
115.00364	6.9
116.05069	56.7
117.03452	6.4
117.05456	4.6
119.03516	11.2
123.22894	3.8
128.05077	10.2
130.06627	7.2
135.03009	39.8
140.05084	7.8
145.02980	14.8
146.03320	7.6
150.03221	5.8
156.08192	5.1
156.99004	4.5
158.06117	95.4
161.04533	21.1
167.03505	4.4
172.04036	5.0
175.02507	7.5
179.05550	5.6
184.07690	11.2
210.05609	100.0
211.05978	9.8
226.05023	4.9
300.03278	4.4
320.11295	7.7
364.14087	9.1
365.17990	8.4
390.11978	9.2
408.12988	80.6
408.18283	3.5
409.13293	7.8
494.13025	15.4
526.22101	9.1
527.23792	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	526.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06629	0.7
51.00251	0.6
53.17104	0.6
57.03456	0.8
59.01384	6.4
61.98835	100.0
66.08198	0.7
71.01399	2.1
73.01161	0.8
76.43211	0.7
77.28168	0.7
78.95932	2.0
79.95753	1.1
85.02949	0.9
86.02495	0.9
99.04560	1.4
100.92426	0.7
104.98376	1.4
110.83951	0.7
112.98763	0.9
128.03531	1.6
130.08853	0.7
142.99893	1.1
143.04663	2.7
173.00903	0.9
174.01704	0.7
210.65781	0.7
272.08960	1.6
306.07693	2.2
310.52795	1.0
327.21744	1.2
328.22153	1.2
329.23438	7.4
352.02609	0.8
526.28015	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52975	1.8
57.03443	6.1
59.01385	22.6
61.98829	85.8
64.86137	1.8
66.61046	1.7
69.03478	2.0
69.55601	4.4
69.56008	9.4
71.01376	14.4
73.02935	2.6
75.00902	5.3
78.95895	5.0
79.95734	2.0
83.01391	7.3
83.36778	1.6
83.54840	1.8
85.02964	8.4
87.00866	2.7
89.02454	1.9
99.00877	25.2
99.04508	4.1
99.05818	1.6
101.02444	5.4
111.00867	6.8
112.93803	1.7
112.98811	65.4
112.99599	3.7
113.02399	2.1
115.00388	4.7
127.00440	2.1
133.06612	4.3
133.22554	2.0
135.04530	8.1
142.99867	35.5
145.01436	6.2
150.87347	1.7
173.00908	100.0
174.01701	34.9
175.02370	2.3
207.06627	22.4
245.01247	9.5
247.02774	51.7
249.11391	3.6
259.91724	2.0
277.05875	2.0
279.00058	3.0
310.97241	48.9
311.97379	3.3
321.19351	2.2
393.33536	2.5
526.29840	5.3
527.14264	6.7
527.20770	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	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
61.98831	17.4
65.00311	2.5
69.16432	2.1
69.56865	16.4
71.01380	2.7
71.48405	2.4
72.99328	11.2
73.02956	3.0
73.69665	2.0
90.74230	2.1
99.04551	3.1
101.02407	2.7
107.01440	2.6
125.02444	2.8
151.00363	9.6
178.99913	2.4
204.96017	2.2
243.02910	6.1
255.03012	21.5
271.02451	43.4
272.02994	3.4
300.02750	89.0
301.03513	53.6
331.50943	2.3
463.08835	100.0
463.15436	4.9
464.09146	10.0
499.99527	2.6
505.31000	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	525.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22104	0.9
67.01891	78.0
68.02230	1.0
68.99802	1.3
71.59478	1.5
73.86777	1.0
92.92818	1.0
95.01366	3.3
108.90179	2.2
134.62283	1.0
139.00377	100.0
140.00737	1.8
182.96899	3.2
182.99336	59.2
183.99901	1.3
215.50290	1.0
217.84232	1.1
229.64618	1.0
231.54514	0.9
241.98228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65541	2.3
55.01865	1.9
57.03444	4.2
58.00600	4.3
58.65023	1.7
59.01379	100.0
61.98811	3.5
62.74852	2.3
71.01389	71.8
72.99312	5.9
73.02950	4.8
75.00876	3.9
76.41299	1.8
82.02978	17.3
83.01376	6.0
85.02945	13.7
87.00880	8.2
87.64666	1.8
89.02449	89.2
93.03474	2.7
95.01386	8.4
96.00914	4.3
98.20636	4.4
99.00868	5.5
101.02445	47.5
103.08811	1.9
113.02451	35.8
114.05629	2.8
114.80328	2.1
115.00391	3.6
119.03510	40.0
121.02956	5.0
122.03719	6.1
125.02430	3.8
128.03603	2.5
131.03520	4.3
134.03720	5.7
135.35956	2.0
143.03499	7.6
149.02457	31.4
149.04466	5.2
149.06033	4.3
150.03236	60.0
151.00395	2.4
151.03825	3.2
155.45166	2.1
158.06136	2.4
161.02458	2.7
161.04558	7.1
164.03481	3.5
164.04768	6.9
165.05576	56.2
169.01523	2.3
175.02412	3.3
179.05649	18.0
180.04254	2.4
182.13078	1.9
183.10246	2.0
185.09305	4.4
188.07205	2.1
194.04601	4.9
195.06654	21.8
196.06148	2.5
217.06181	2.3
224.14055	2.8
231.07683	3.2
242.14970	2.6
244.09839	2.4
255.02762	2.7
259.07196	4.3
262.07385	2.8
269.09341	5.0
270.07614	2.4
271.02374	3.2
282.09003	9.8
285.04248	2.5
287.10278	9.1
291.09894	20.1
297.11325	27.8
301.03348	3.0
303.10056	3.2
313.08197	9.9
329.12424	4.6
331.09430	4.9
345.10818	15.6
363.12021	6.3
377.14163	2.5
387.11905	4.1
405.12994	5.6
451.55255	2.2
465.15131	6.4
477.17706	20.5
478.17862	3.8
493.14319	2.7
520.02686	2.4
525.19629	31.4
525.27393	4.8
526.19012	2.8
526.27466	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	525.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21893	0.4
53.64474	0.4
54.22202	0.4
55.01876	0.5
57.03443	1.6
59.01381	1.7
61.98821	1.9
64.95235	1.4
67.07864	0.4
68.99812	0.6
71.01385	4.7
71.38340	0.7
72.99317	0.5
73.01179	0.5
73.02953	1.6
83.01389	2.5
85.02962	2.6
87.00887	0.9
89.02434	0.5
96.92464	0.4
99.00883	12.3
101.02448	0.9
111.00893	3.2
112.98811	33.3
113.99159	0.6
115.00373	1.1
124.98831	0.6
126.98571	0.8
129.00174	0.5
129.01962	1.1
137.02415	0.6
142.99858	17.7
145.01430	3.5
151.00664	0.8
152.32655	0.4
159.11852	0.5
173.00914	45.2
174.01694	100.0
175.02029	2.8
183.27147	0.4
201.02252	0.6
217.01709	0.4
245.01273	8.6
247.02802	15.2
248.03261	0.4
256.27863	0.4
279.00015	13.1
280.00250	0.7
283.10721	0.4
301.03418	0.4
310.93665	0.9
310.97247	17.9
311.97668	0.9
353.52441	0.4
465.23730	0.5
525.02185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.5
55.01883	1.4
57.03471	4.3
57.80247	0.5
59.01378	3.2
61.98827	1.8
63.96230	0.6
64.95262	2.6
66.75513	0.5
67.01886	0.8
68.99818	1.4
69.03461	0.6
70.99602	0.8
71.01386	6.8
71.60663	0.6
72.99316	0.6
73.01169	1.8
73.02958	2.7
83.01404	4.1
83.05072	0.8
84.99312	1.0
85.02956	5.4
86.02457	0.5
87.00871	1.1
89.00670	0.7
93.03499	0.6
95.05027	1.7
96.92465	4.8
97.02957	1.1
97.96587	0.6
99.00885	20.4
99.04545	1.5
101.00676	2.9
101.02433	1.5
111.00873	6.3
111.04534	1.1
112.98815	58.1
113.02433	1.5
113.99147	1.0
115.00365	2.5
117.00172	1.0
123.04533	7.0
124.98800	1.0
126.98610	1.2
127.00460	1.2
127.03983	2.3
129.00191	1.4
129.01953	2.1
136.63913	0.5
137.02515	0.9
139.04025	0.6
141.00183	1.1
141.05583	5.8
142.99867	31.2
144.00194	0.9
144.99632	1.5
145.01445	3.7
151.00674	0.7
156.99614	0.6
157.05084	3.6
159.11795	0.6
167.03503	1.0
173.00917	88.5
174.01698	100.0
175.02116	3.0
183.03008	0.7
183.98331	2.3
201.02242	1.8
217.01772	10.7
218.02022	0.6
225.21486	0.6
227.00183	0.7
227.84120	0.5
245.01242	37.4
246.01578	1.9
247.02809	40.1
248.03230	2.1
279.00046	11.4
310.97235	41.0
311.97571	2.1
328.74588	0.5
459.69519	0.5
525.02075	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	525.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60908	0.6
55.01879	1.5
57.03443	4.8
59.01376	5.8
61.98827	4.5
64.95252	9.0
66.04350	0.5
66.91742	0.6
67.01889	1.3
68.99831	1.3
69.03465	1.1
69.73223	1.8
69.73629	1.4
70.99601	1.3
71.01392	8.2
71.86172	0.5
72.99308	1.7
73.01177	2.5
73.02940	3.6
75.80804	0.5
78.95937	0.6
81.03457	1.4
83.01397	3.8
83.05021	2.0
85.02953	6.3
87.00861	1.0
88.98809	1.0
89.00667	1.0
89.02445	1.2
92.67761	0.5
93.03448	1.0
95.01402	0.6
95.05028	2.9
96.92458	20.0
97.02964	1.3
99.00237	1.1
99.00884	20.2
99.04509	1.8
101.00668	3.2
101.02432	2.9
108.02181	0.6
111.00879	6.4
111.04527	0.7
112.98814	55.7
113.02471	2.4
113.99107	1.3
115.00397	2.6
117.00176	1.5
123.04524	11.9
124.01700	0.6
124.98786	1.4
125.02448	0.9
126.98615	3.5
127.00356	0.7
127.04014	3.5
129.00159	1.4
129.01932	1.4
139.04002	1.1
140.98317	0.6
141.00122	0.8
141.05594	9.7
142.99866	37.7
143.04623	0.9
144.00195	0.9
144.99710	2.4
145.01422	5.1
154.92679	0.5
156.99605	1.3
157.05051	6.6
159.11775	1.1
167.03522	0.9
168.99628	0.6
170.97659	0.7
171.01039	0.6
173.00914	100.0
174.01692	72.6
175.02226	2.6
178.69730	0.5
183.03055	1.2
183.98376	3.6
187.74467	0.5
217.01746	19.9
218.02036	1.4
227.00279	1.8
245.01241	39.3
246.01517	2.0
247.02800	55.0
248.03232	1.6
272.08945	0.9
279.00003	5.2
300.02484	0.9
306.07623	2.0
310.97263	14.4
311.97699	1.0
314.04251	0.9
315.05188	1.7
477.10547	1.5
497.02518	5.2
524.35016	1.3
525.02045	6.1
525.36481	2.0
526.01813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	Mascaroside
Peak:m/z	Relative Intensity
54.94109	0.6
55.01878	1.6
57.03447	3.1
58.00595	1.2
59.01383	25.2
61.04271	0.7
61.98833	1.7
65.38873	0.6
67.56411	0.6
71.01386	17.0
71.37939	1.4
72.99310	1.3
73.02956	4.3
78.95882	0.7
79.95800	0.6
81.70966	0.7
83.01392	2.7
85.02958	6.0
87.00877	1.9
88.98826	0.7
89.02451	7.8
91.24380	0.7
93.03455	0.9
95.01386	2.1
96.96033	2.0
96.96976	1.0
99.00885	2.4
99.04517	2.4
101.02438	11.4
109.02979	3.9
111.00858	1.0
113.02454	6.2
116.92820	0.8
119.03485	3.6
121.02963	9.9
122.03762	8.6
123.04522	1.5
124.01699	0.8
129.03520	0.8
134.03705	1.4
135.04515	2.8
136.05321	0.6
137.02443	2.4
147.03636	0.6
147.04547	6.5
149.06073	1.0
154.02678	1.4
160.01590	0.8
161.04645	1.2
161.06102	2.1
162.06837	1.1
165.05571	19.5
166.03287	1.7
166.05931	0.7
167.03841	0.8
175.07547	0.8
176.08463	0.8
179.07108	5.3
191.07057	1.2
193.05067	1.6
209.08180	0.9
217.10823	1.5
223.09734	1.0
298.12103	1.2
313.14359	1.8
315.12469	1.5
328.13156	1.7
343.15500	5.2
346.14224	7.4
347.14960	1.9
361.16568	72.9
362.16840	7.3
445.07483	0.7
487.24438	0.7
508.19412	0.6
523.21844	100.0
524.22278	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	524.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20158	0.4
59.01375	1.6
61.98831	100.0
62.93645	0.4
70.17166	1.5
71.01392	1.1
87.00902	0.4
89.02423	0.6
93.03463	2.1
98.31412	0.5
101.02470	1.0
113.02486	0.6
113.65274	0.4
117.03568	0.5
129.15497	0.4
137.02446	9.2
145.03035	0.7
148.20712	0.4
161.02475	1.0
164.34659	0.4
177.03500	0.4
200.04863	0.4
413.12256	0.6
438.99179	0.4
461.13058	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	524.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
61.98831	100.0
71.01385	0.5
74.85538	0.2
85.95450	0.2
88.53986	0.2
89.18306	0.2
94.56934	0.2
98.19801	0.4
101.02459	0.2
102.19286	0.2
125.86080	0.2
137.62291	0.2
146.03363	0.3
156.40779	0.2
163.04012	0.3
172.07590	0.2
175.02464	0.4
179.03387	0.2
223.46440	0.2
525.22125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19462	1.4
53.88711	1.4
57.03450	100.0
58.54986	1.5
59.01379	94.3
60.01710	1.9
61.98832	38.0
69.40594	8.4
69.41000	3.6
70.99600	1.5
71.01385	11.4
72.99255	1.7
73.02942	3.4
76.68920	1.4
78.95824	1.6
80.96510	2.0
81.03457	2.7
83.01373	3.9
85.02941	5.7
89.02427	4.5
90.16338	1.4
99.00886	1.6
99.04520	98.8
100.04877	1.9
101.02453	20.9
112.98782	3.1
113.02448	3.8
125.02441	32.2
130.00925	1.5
142.99881	1.9
152.07233	1.5
161.04604	3.3
173.00890	5.7
174.01656	10.2
175.02472	1.8
245.01227	3.7
278.99991	2.3
293.16196	1.7
297.99063	1.7
314.87192	1.5
335.17307	2.5
357.52338	1.6
461.91205	1.8
522.33484	4.4
523.34503	13.1
524.20581	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	522.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48483	0.4
59.01376	1.6
61.38880	0.4
61.66671	0.4
61.98835	5.3
67.54175	0.4
69.60432	2.3
78.95903	10.9
87.90646	0.4
95.05025	0.4
97.06571	0.4
104.98417	0.5
121.02937	2.4
122.00104	0.5
122.03746	3.3
123.04482	0.6
124.11193	0.5
135.04604	0.5
136.05304	1.2
140.01184	3.6
152.99606	1.2
164.08376	1.6
165.12842	1.1
167.14391	4.6
168.04257	0.9
193.15921	3.1
196.03815	3.1
207.17593	3.2
214.04846	5.9
231.17488	2.1
233.15474	1.2
247.16968	0.5
249.18597	31.1
250.18910	1.9
275.16504	21.9
276.16837	1.3
281.21198	4.8
293.17581	68.3
294.17889	3.9
307.19080	3.5
325.20184	100.0
326.20517	7.4
522.24713	27.5
523.24982	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10202	1.0
59.01372	3.4
61.98832	10.3
71.01381	3.2
71.08241	2.2
87.00916	1.1
96.00903	1.6
101.02407	1.9
113.02473	1.3
117.03474	2.8
119.05029	70.2
120.05373	2.2
145.02971	10.4
163.04013	100.0
164.04414	4.7
164.71706	1.1
179.05612	1.0
261.06738	1.0
323.13428	2.7
325.09296	43.7
326.09708	2.6
349.12967	1.8
418.62112	1.1
523.12122	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	523.177
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
50.13701	1.5
52.47682	1.2
61.98806	2.2
67.16956	1.7
74.89975	1.3
78.95903	80.9
79.51854	1.5
84.97791	1.7
87.20390	1.5
99.92585	16.3
110.98531	13.9
115.92072	29.5
116.92087	2.7
116.92868	17.9
137.98677	1.8
148.89656	1.4
158.83301	1.7
163.89624	2.5
178.88457	8.7
179.89212	33.9
180.90051	12.6
181.90865	1.9
193.90768	37.8
194.91579	22.7
196.89487	51.0
197.89525	3.0
229.80974	1.6
231.38593	1.6
236.92532	1.9
243.07460	1.4
248.92619	3.0
249.93376	4.8
249.97774	1.7
250.94374	2.2
255.23277	6.4
265.47604	1.6
266.93542	3.4
355.15717	3.2
380.84015	1.5
411.18491	6.3
475.15469	3.2
505.16699	2.4
523.17712	100.0
524.17993	14.4
532.39636	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	523.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
57.12962	0.5
59.01380	100.0
60.01744	0.5
61.98826	2.1
70.92796	0.9
71.01385	8.4
73.02955	2.5
74.15218	0.4
78.95918	1.0
80.96537	0.7
83.01389	0.9
85.02975	3.3
86.99589	0.4
93.03463	0.8
95.01375	0.6
96.96042	1.3
96.96976	0.6
99.00877	1.0
101.02451	4.8
103.80925	0.4
107.05112	0.4
113.02442	3.9
121.02987	0.9
125.02410	0.4
135.04546	0.8
137.06081	20.6
138.06386	0.8
151.04059	0.4
159.03026	1.3
161.04559	7.0
181.05061	28.8
182.05417	1.4
301.10760	3.3
333.71167	0.4
354.90118	0.4
369.41849	0.4
499.92682	0.4
523.18951	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	522.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80278	3.0
58.02964	6.8
59.01365	11.1
61.98834	100.0
63.48565	2.8
71.01394	8.4
73.01176	10.0
74.02467	22.3
76.32122	2.8
78.34530	2.8
78.95903	4.2
85.02964	4.4
86.02465	9.4
87.05638	3.8
96.96037	3.3
97.04061	4.9
99.04504	3.1
99.05654	14.2
100.00410	9.9
104.98387	9.0
112.04017	3.3
112.98843	3.4
128.03545	68.9
142.99956	70.9
143.04628	79.8
146.04575	8.2
153.06628	3.6
160.00706	15.9
167.04613	7.8
167.08220	3.4
169.06171	4.3
173.00938	5.8
174.01678	6.3
175.01950	4.2
179.04614	11.8
181.06180	4.7
185.05670	4.4
196.20946	3.1
198.08911	3.3
210.08809	13.2
249.03577	5.6
254.07843	19.5
272.08856	63.9
280.97775	4.0
286.04968	9.2
288.06546	12.6
304.06073	6.7
306.07675	81.4
307.07721	4.8
378.08026	32.6
521.33252	14.6
522.33185	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	522.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01381	18.9
61.26130	0.8
61.98830	100.0
71.01383	3.2
71.61506	0.9
71.61960	1.1
72.49603	0.7
76.21496	0.8
85.02972	1.0
89.02449	2.2
95.76134	0.7
96.84490	0.8
96.96031	1.2
101.02464	2.3
106.63001	0.9
113.02473	1.9
164.41899	0.9
248.25557	0.8
355.21277	1.1
373.22348	5.3
415.23438	6.9
522.32776	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	521.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.1
58.00568	3.7
59.01382	100.0
61.98824	8.0
69.03444	2.2
70.04607	8.8
71.01382	43.6
72.99299	3.8
73.01173	2.5
73.02947	27.0
83.01402	4.9
85.02958	14.5
87.00900	11.5
87.04536	2.0
89.02436	35.3
95.01372	2.0
98.20555	2.6
99.00877	2.1
99.04504	2.2
100.07712	2.0
101.02446	51.5
103.04015	15.9
107.49733	1.8
113.02452	9.7
115.04006	6.3
119.03497	18.1
125.02441	3.2
131.03522	8.9
143.03529	13.8
145.05061	6.5
161.04573	3.8
163.06123	80.9
164.06488	2.5
171.22691	1.8
179.05580	5.2
188.69576	2.0
193.38931	1.9
205.07164	26.3
256.91428	1.7
265.09164	4.4
315.18124	7.2
375.43091	1.8
389.51819	2.2
461.23813	24.6
462.24384	2.3
521.22400	1.8
521.33051	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	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99170	0.2
53.77172	0.2
55.01882	0.7
57.03442	0.8
57.54039	0.3
58.00599	0.5
59.01379	9.9
61.41878	0.3
61.98833	3.1
70.20713	0.8
70.21139	0.6
71.01384	7.6
72.02139	0.3
72.99296	0.8
73.02941	1.6
78.43677	0.3
79.95719	0.4
80.03858	0.2
83.01402	1.4
83.57700	0.3
85.02957	3.0
87.00861	0.9
89.02448	3.2
95.01367	0.5
99.00863	0.3
101.02441	4.9
113.02435	2.6
119.03481	1.1
125.02447	0.7
173.09320	0.3
313.23813	3.0
341.26981	3.6
357.26160	0.4
359.27994	20.7
360.28363	1.7
503.32126	2.1
521.33276	100.0
522.08099	0.4
522.25708	0.7
522.33624	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03429	0.9
58.00589	0.7
59.01099	0.6
59.01381	10.4
61.71991	0.3
61.98522	0.4
61.98832	7.6
66.84607	0.3
69.27167	1.4
69.27596	1.7
71.01386	8.4
72.99306	0.8
73.02944	1.5
73.14561	0.3
82.56165	0.2
83.01385	1.6
85.02955	3.5
87.00867	1.1
89.02458	3.4
95.01404	0.6
96.96043	0.3
97.02911	0.3
99.00835	0.6
100.17259	0.3
101.02444	5.0
104.98357	0.3
109.44744	0.3
111.00928	0.5
113.02447	2.1
117.90881	0.3
119.03467	0.9
125.02433	0.4
162.52170	0.3
181.20602	0.4
226.89584	0.3
297.55365	0.3
311.26062	0.4
313.23816	3.1
341.26987	3.4
357.26428	0.5
359.28030	21.4
360.24384	0.4
360.28436	1.6
503.32391	1.5
517.37164	0.4
521.33276	100.0
522.33649	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63699	2.3
57.03445	5.9
58.02966	5.3
59.01383	13.8
61.98830	62.6
61.99148	3.9
63.94464	2.9
64.95245	3.2
66.12292	2.1
70.00909	3.5
70.01303	6.5
71.01382	7.2
72.00936	2.6
74.02478	14.0
82.02980	2.7
85.02952	2.3
86.02492	5.8
95.91682	6.2
99.04534	4.4
99.05637	9.5
101.02456	7.8
104.97748	2.3
104.98392	11.9
128.03537	42.7
136.95590	2.4
141.06779	2.7
142.99927	2.8
143.04642	52.4
145.06207	4.2
146.04605	6.5
160.00723	8.9
167.04623	5.9
169.06125	3.3
171.07742	6.5
175.01826	3.3
179.04570	10.8
181.92528	2.5
185.05586	5.8
199.07280	3.3
205.25528	2.2
210.08829	12.6
223.87968	2.3
226.08203	3.6
241.06184	2.7
249.05455	2.9
254.07817	14.8
260.07095	3.9
272.08859	38.2
272.11566	3.9
291.25143	2.7
304.06244	5.2
306.07678	40.6
346.10837	8.0
359.27570	4.6
367.08096	2.4
378.07962	100.0
379.08115	7.0
387.26382	2.3
411.05957	8.2
498.04041	2.6
521.32776	37.9
522.33234	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
58.80404	0.5
59.01378	6.5
61.39289	0.6
61.98820	1.5
65.45475	0.6
68.65289	0.6
70.80802	0.5
71.01391	3.8
72.99291	0.6
73.02949	1.1
81.63223	0.6
83.01400	0.8
85.02959	1.9
86.27180	0.5
87.00872	0.9
88.98795	1.0
89.00672	0.7
89.02474	1.3
93.03458	0.9
99.04520	2.3
101.02429	3.0
102.19060	0.6
113.02457	1.7
116.66015	0.7
121.02946	3.6
122.03731	1.7
122.94490	0.5
123.00896	0.7
123.04514	0.8
123.07973	0.6
125.02457	1.1
128.03520	1.4
131.49706	0.6
135.04530	0.7
136.05307	0.9
137.02457	0.9
137.06071	0.6
143.04985	0.5
147.04526	2.0
149.02446	1.9
150.03236	5.2
158.03738	3.0
159.04495	8.0
160.05304	26.5
161.02449	0.6
161.04546	1.5
161.06038	6.7
162.02878	0.6
163.04034	5.6
164.04770	4.4
164.07091	0.9
165.05453	0.6
166.03287	1.6
173.06076	2.6
174.06906	0.6
175.07649	24.3
176.07944	1.4
177.05569	7.9
178.06367	5.8
191.07124	0.7
192.07956	1.3
193.08730	2.8
197.11829	1.3
241.76537	0.7
255.15884	0.7
314.11526	0.7
329.13934	100.0
330.14297	7.0
341.12103	1.0
359.15027	1.9
388.18802	1.0
486.19086	1.1
503.21329	0.7
521.22662	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	521.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59617	3.0
56.13855	2.9
57.03444	100.0
59.01379	86.4
61.98829	27.2
64.16964	3.2
71.01389	5.8
71.61104	3.5
78.95910	9.7
99.04520	87.5
101.02393	16.1
105.03276	3.2
118.96340	3.4
125.02435	38.1
178.00623	3.5
196.03857	5.6
238.71814	3.3
246.01619	3.5
249.18506	3.7
275.16562	4.2
293.17590	10.2
296.11786	3.5
325.20157	15.0
414.99808	3.3
522.24835	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	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
58.00582	3.9
59.01380	100.0
60.68200	1.1
61.98829	11.6
64.95237	4.1
66.13031	1.6
66.94819	4.0
69.38817	11.3
70.02991	1.3
71.01382	41.0
72.99297	5.3
73.02952	18.7
79.95729	3.2
83.01379	6.0
85.02958	17.6
87.00882	7.8
87.04520	3.1
89.02444	37.1
95.01368	2.5
96.95986	1.9
99.00871	2.0
99.04505	2.7
101.02447	60.0
103.04017	16.0
110.93972	1.8
112.93638	9.0
112.98742	1.6
113.02450	12.3
115.03983	3.5
119.03497	21.4
125.02448	5.2
131.03516	9.2
137.06042	4.5
143.03503	9.0
145.05064	5.5
146.08237	1.2
161.04567	4.7
163.06134	62.3
164.06516	1.7
165.28447	1.3
174.01733	1.6
179.05643	6.4
181.05045	5.9
205.07179	26.2
214.85249	1.6
217.74440	1.3
265.09070	2.9
277.12247	1.4
315.18106	3.4
336.06873	6.3
341.10333	1.6
359.27881	2.5
461.23956	37.2
462.24173	3.1
521.32739	15.1
522.33258	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	521.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99050	1.7
57.03451	90.7
58.03791	1.8
59.01383	100.0
61.98824	2.6
65.50811	1.3
71.01390	8.1
73.02946	2.6
80.06905	1.5
81.03458	4.3
82.60158	1.5
83.16844	1.7
85.02932	2.2
87.00889	4.1
88.88759	1.5
89.02435	3.0
90.34772	1.6
96.95984	1.7
98.20744	2.5
99.00853	1.8
99.04521	94.2
101.02443	18.0
113.02441	2.9
116.92867	8.2
125.02448	40.1
128.03519	2.5
143.03522	3.0
152.05386	3.5
161.04517	2.6
180.85298	1.6
183.10228	1.5
241.11896	4.0
271.02420	5.8
287.85739	1.6
291.14291	3.2
299.01877	5.6
333.15567	6.1
416.72891	1.7
503.21002	2.0
519.06641	1.7
521.25262	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	521.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37054	2.1
57.03454	91.3
59.01382	100.0
60.01741	2.1
61.98837	5.0
69.47250	12.2
71.01382	9.9
73.02970	4.0
81.03508	2.7
85.02966	5.3
87.00890	6.5
89.02467	6.6
96.00913	3.0
99.04527	85.5
101.02448	19.1
113.02447	5.5
115.00378	2.3
116.92886	12.7
117.44959	2.3
125.02457	37.5
128.03513	9.1
143.03542	3.2
146.04597	2.7
161.04594	2.8
197.12958	3.2
211.71257	2.5
241.11949	7.6
243.12372	4.2
271.02505	8.1
277.32227	2.1
299.02042	13.1
333.15573	8.6
341.12177	5.6
486.18219	3.4
487.18097	2.6
503.21652	6.6
521.22607	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	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79329	0.3
59.01381	52.6
60.01733	0.6
61.64439	0.4
61.78148	0.3
61.98832	100.0
67.64388	0.4
69.52773	0.5
69.53114	3.1
71.01383	4.0
73.02953	1.3
83.01408	0.7
83.08843	0.4
85.02972	1.4
87.00882	0.5
89.02462	0.8
95.01389	0.5
98.20609	0.5
99.00889	0.7
101.02458	2.2
113.02470	1.6
161.04584	1.1
171.38342	0.5
209.15480	0.8
353.19662	3.2
371.20718	4.1
388.73557	0.4
413.21817	5.5
414.22058	0.5
520.97339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86164	0.3
61.23343	0.2
62.26892	0.2
62.96414	0.3
64.97749	0.3
65.93283	0.3
70.74319	0.7
78.95905	48.5
91.45715	0.2
95.34089	0.3
96.96968	5.6
125.77905	0.3
125.99449	0.2
142.86128	0.3
150.98007	1.5
152.99591	100.0
153.99863	1.3
171.00661	4.0
279.23355	1.1
433.23596	21.9
434.23999	2.4
459.50293	0.3
520.26746	4.0
521.27332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86374	0.4
61.98803	0.4
69.87408	1.8
76.37203	0.4
78.91873	0.7
78.95904	65.9
80.91690	0.7
83.92663	0.4
88.98771	0.7
96.96965	4.6
120.21444	0.4
121.93088	0.4
150.98013	1.3
152.99590	100.0
153.99950	1.6
171.00630	2.8
182.10782	0.4
204.36665	0.5
242.89200	0.5
277.68622	0.4
279.23297	2.2
415.22595	0.7
431.21860	0.9
433.23581	41.1
434.23950	3.2
520.15936	0.4
520.19482	0.4
520.26733	3.7
521.27130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
58.02986	0.6
59.01380	17.5
61.98833	100.0
69.78823	3.7
71.01384	4.8
73.02955	5.1
80.96533	0.9
83.01411	1.3
85.02970	0.8
89.02452	1.2
98.19849	0.7
99.05611	0.8
101.02455	4.9
113.02454	1.4
115.92432	0.6
128.03569	2.0
143.03596	0.9
143.04651	2.1
149.04619	1.0
161.04576	2.0
181.09616	0.6
203.05716	1.2
227.14140	1.2
254.07889	0.7
271.02628	0.7
272.09079	0.9
300.02615	0.6
301.03305	1.2
315.05133	1.1
348.10587	1.1
494.79803	0.7
496.48950	0.8
520.97473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	54.7
59.57805	0.9
61.98831	100.0
65.89662	0.9
70.73921	2.2
70.74265	1.4
71.01385	5.4
73.02951	1.5
83.01382	1.1
85.02957	3.0
85.09054	1.0
89.02431	1.9
97.46505	1.0
101.02441	4.2
109.85346	1.0
113.02420	2.0
141.25926	1.0
161.04532	1.1
188.05544	1.0
199.60664	1.1
209.15366	1.5
327.64404	1.4
330.93915	1.0
353.19595	4.1
371.20682	7.7
413.21997	8.6
454.32355	1.0
497.57510	1.1
502.06775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41596	0.6
55.78640	0.6
57.03447	0.6
59.01383	20.1
60.34769	0.6
61.98835	100.0
62.49915	0.7
69.79109	1.6
69.79523	2.2
71.01380	4.7
73.02953	5.0
74.02489	0.9
83.01418	1.4
89.02460	1.4
98.20604	1.0
99.04511	0.6
100.69156	0.6
101.02464	5.6
113.02477	1.9
119.03481	0.7
128.03564	2.2
131.03535	0.8
141.97699	0.6
143.03494	0.9
143.04631	1.8
146.04497	0.7
149.04591	1.5
161.04599	1.2
227.14159	0.9
254.07716	0.8
272.09000	1.7
274.09442	0.9
297.69049	0.7
315.05252	1.0
345.89655	0.7
348.10513	1.0
397.25076	1.4
520.12378	0.8
520.74188	1.1
520.97351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01381	34.4
60.01690	0.6
61.98831	100.0
64.15788	0.5
65.71085	0.5
69.28217	5.5
71.01390	4.1
73.02953	1.8
73.69009	0.6
80.96529	0.8
85.02966	1.5
87.00916	0.7
89.02456	1.0
99.00894	0.8
101.02420	2.6
113.02449	1.6
125.02493	0.6
139.87604	0.5
142.99940	0.6
143.04630	1.2
160.74600	0.6
161.04594	1.2
174.01736	1.3
179.05692	0.7
203.05644	0.5
221.20100	0.6
272.08862	0.7
306.07529	0.7
308.07748	0.6
413.22223	0.9
520.97516	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	520.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
60.55392	0.8
61.98832	100.0
66.33810	1.0
67.37936	0.8
70.74876	2.5
73.01167	2.6
85.02970	1.0
86.38316	0.9
99.04552	1.1
101.02422	1.3
120.01310	0.9
173.00905	0.8
175.02403	1.0
245.01103	1.3
276.75998	0.9
519.31348	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	520.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06268	1.1
59.01371	4.6
61.98833	100.0
71.05231	2.9
73.01159	4.0
125.75421	1.5
183.81877	1.3
212.95885	1.3
245.34735	1.2
376.27493	1.5
481.79514	1.3
496.76526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05688	1.0
53.31486	1.1
57.03442	2.6
59.01387	9.7
61.98824	2.2
71.01378	4.4
71.61436	1.7
73.02954	1.4
85.02965	2.2
89.02444	3.6
89.95325	1.0
99.04505	2.4
101.02429	3.8
108.08204	100.0
109.08537	2.8
113.02445	3.7
120.08209	3.5
125.02472	2.6
130.08783	1.2
132.08214	3.3
143.38220	1.2
148.07663	4.1
151.00395	2.7
152.07182	82.9
153.07530	2.5
163.04088	1.1
163.06065	1.2
164.07162	1.5
165.02510	1.9
166.03337	8.8
166.08751	29.2
167.03542	1.9
168.07828	2.1
176.07149	2.0
178.99786	1.3
194.08226	11.4
196.06158	70.2
198.10513	1.1
218.00275	1.3
238.07234	16.1
280.08435	1.6
298.09369	12.3
299.01956	2.8
317.02954	2.5
358.11456	85.2
359.11694	7.7
520.16425	2.4
520.24652	4.2
521.09210	1.5
521.19885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3173
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01872	0.6
56.80582	0.5
57.03442	1.4
58.00579	0.7
59.01096	0.8
59.01380	12.9
61.98520	0.9
61.98832	15.1
65.93474	0.5
69.74163	2.6
71.01382	9.4
72.99301	0.7
73.01159	0.5
73.02946	1.0
83.01398	1.3
85.02944	2.9
87.00880	0.8
89.02436	3.9
95.01398	0.8
95.32731	0.4
98.20586	1.0
99.00861	0.8
99.04543	0.8
101.02442	4.9
112.98789	0.5
113.02451	2.9
119.03513	1.1
125.02384	0.7
173.00888	0.4
185.11870	0.9
227.16454	0.5
250.92896	0.5
309.24432	1.1
311.22479	0.5
327.25439	3.7
339.25366	6.9
340.25595	0.8
357.26468	18.3
358.26767	1.8
401.53699	0.5
501.30304	1.2
519.31726	100.0
520.32007	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	519.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03450	22.1
58.00583	0.8
59.01382	32.3
59.61724	0.4
60.27408	0.5
61.98833	17.3
70.74807	0.5
70.75160	1.2
71.01388	10.4
71.05042	0.7
72.99306	0.8
73.01168	1.4
73.02949	1.6
75.00823	0.5
78.95908	0.4
79.95729	0.8
81.03437	0.7
83.01385	1.9
85.02961	4.3
87.00864	0.9
87.66380	0.4
89.02458	4.5
95.01395	1.0
99.00898	0.8
99.04523	19.5
101.02449	9.9
104.98415	0.7
113.02444	3.1
119.03483	1.1
125.01599	0.8
125.02443	8.1
142.09906	0.4
145.10423	0.5
161.04567	0.9
173.00894	0.5
197.44037	0.5
199.13374	1.7
227.16582	3.2
265.53531	0.6
284.28815	0.4
295.38791	0.5
297.24371	1.0
309.24518	0.8
327.25430	4.9
336.03357	0.5
339.25369	7.6
357.22025	0.8
357.26459	15.1
358.26801	1.2
362.82208	0.5
453.38565	0.5
501.30893	1.6
519.31726	100.0
520.32037	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	520.008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
56.40506	0.4
57.03440	0.9
59.01380	4.4
61.90473	0.3
61.98829	100.0
63.04598	0.4
71.01386	2.8
71.06230	1.0
73.02958	0.9
73.59877	0.4
76.26260	0.4
83.01410	0.9
84.96844	0.4
85.02961	1.1
89.02487	0.7
95.01371	0.4
99.04508	0.6
101.02441	2.7
106.97326	0.4
113.02456	1.4
117.77282	0.4
161.04568	0.5
194.43147	0.4
339.25607	0.7
357.26529	1.7
358.26840	0.6
383.57339	0.5
519.31781	11.4
519.39764	0.7
520.32098	3.4
521.33563	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	520.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99529	0.3
56.80129	0.4
57.03453	1.7
59.01379	15.1
60.01704	0.3
61.29768	0.3
61.98832	100.0
71.01389	2.8
71.61475	0.5
73.01159	0.4
73.02946	1.1
77.99009	0.3
78.12149	0.3
80.96526	0.7
83.01418	0.6
85.02961	1.5
87.00868	0.5
89.02469	1.4
95.01424	0.4
99.00901	0.7
99.04501	1.7
101.02454	2.1
113.02461	1.1
119.03494	0.4
125.02460	0.9
133.03011	1.0
135.04588	0.4
142.99907	0.5
161.02422	2.2
161.04576	0.5
162.02885	0.4
173.00945	0.5
175.02463	0.3
178.68170	0.3
207.13864	0.4
214.71072	0.3
371.20911	1.0
413.21948	0.8
459.22711	1.0
462.94733	0.4
519.18927	1.0
519.31506	2.3
520.19568	0.8
520.32092	0.7
521.33453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54136	1.4
57.03443	2.9
59.01378	18.9
61.98832	8.3
69.03481	1.7
71.01378	8.9
71.61485	1.6
73.02962	1.8
79.95744	2.0
85.02950	3.3
89.02464	5.7
93.19423	1.1
99.04546	2.2
101.02440	7.9
105.54398	1.2
112.93002	1.3
113.02454	3.5
113.03550	1.3
118.15929	1.3
125.02451	2.2
128.02699	1.4
128.03580	2.0
141.03857	1.7
142.43774	1.2
143.04633	2.7
161.04526	3.0
167.10773	2.3
178.23741	1.3
179.14456	2.9
195.13905	10.4
205.12357	6.8
223.13397	100.0
224.13721	6.4
249.78691	1.4
253.09300	14.9
272.08646	1.6
284.03339	1.3
307.08044	1.8
315.53436	1.3
327.25269	1.6
357.26431	4.9
401.43768	1.2
459.22183	10.0
472.14151	2.2
475.25070	1.2
487.16241	2.1
490.18649	5.7
502.18781	7.9
519.24805	2.4
519.31818	32.4
520.32306	3.1
542.86798	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	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.0
56.36138	1.8
57.03435	8.8
58.00582	2.4
59.01380	100.0
59.38359	1.9
61.98832	89.3
69.03436	2.8
71.01382	70.5
72.99331	5.4
73.02950	29.8
75.00871	34.3
77.35413	2.0
83.01405	11.0
85.02952	64.8
87.00869	12.0
87.04494	3.2
89.00705	2.3
89.02441	26.8
95.01359	5.7
97.02936	4.7
99.00887	7.0
99.04521	5.1
101.02447	59.7
113.02455	31.7
115.03987	3.4
119.03470	12.2
124.01630	12.0
125.02442	13.1
131.03511	2.7
135.10591	2.1
141.77992	2.2
143.03511	16.2
159.02992	4.1
161.04555	30.1
168.37387	2.1
179.05576	7.6
221.06627	2.5
238.60535	2.2
315.17963	3.5
329.23218	2.8
339.25552	2.4
357.26404	6.0
459.22137	2.4
477.23416	34.0
478.23758	3.1
519.31836	67.0
520.32001	6.3
532.50958	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	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39715	0.7
57.03444	2.1
59.01380	100.0
60.01707	1.2
61.98831	25.3
69.52901	5.5
71.01385	24.8
73.02953	3.1
75.00893	1.0
77.32330	0.7
83.01414	1.9
85.02939	4.2
87.00893	1.7
89.02444	3.5
90.09191	0.6
97.08772	0.7
99.04533	1.7
99.80612	0.9
100.79188	0.7
101.02460	5.6
111.00913	0.8
113.02487	2.4
121.38837	0.7
125.02456	1.9
130.08713	1.0
161.04594	1.3
174.01701	0.7
175.02470	1.4
205.12254	1.3
216.14046	0.7
221.06862	1.2
223.13472	2.5
241.14461	2.9
263.02451	0.8
295.15506	4.2
339.25381	1.3
357.26459	6.6
385.18820	6.5
386.19006	0.7
427.19907	5.3
447.02121	0.7
459.22458	1.3
501.30338	1.2
519.31781	30.7
520.19446	1.5
520.32135	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.8
57.03452	14.0
58.00563	2.9
59.01379	100.0
61.98830	38.1
71.01382	67.8
71.62145	3.7
72.99304	6.4
73.02947	19.9
74.26921	2.4
75.00886	28.0
80.93853	2.3
81.03496	3.0
83.01385	13.1
83.05000	4.3
85.02956	66.0
85.10310	2.2
87.00875	13.9
89.02442	24.4
91.31223	2.3
95.01434	3.4
97.02969	6.2
99.00867	6.9
99.04498	9.9
101.02444	58.0
113.02445	26.3
115.04031	3.4
119.03500	12.8
124.01667	12.9
125.02446	15.7
135.11758	2.5
143.03497	19.0
159.03017	5.3
161.04544	28.7
179.05598	9.0
235.08316	2.0
281.28046	2.3
315.18253	4.7
329.23306	2.4
357.26343	5.4
453.72668	2.4
459.22745	3.8
477.23441	36.5
478.23877	4.1
519.24487	3.9
519.31635	25.2
519.39282	7.7
520.32050	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	519.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73063	0.5
59.01366	0.9
61.98825	2.5
63.96227	1.3
68.96698	0.7
70.36903	0.6
70.37251	2.0
70.99606	20.8
72.99312	1.6
74.99091	0.7
76.97025	2.4
78.95930	0.6
85.92786	0.6
87.00881	3.8
89.00669	100.0
90.01011	1.3
112.37631	0.6
130.08713	0.6
135.98367	6.0
159.01218	2.8
171.48843	0.6
177.02272	97.1
178.02505	2.5
211.95389	0.6
212.49017	0.6
342.65005	0.7
383.14954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07953	0.7
56.64903	0.7
63.96234	5.5
69.35765	6.8
70.99608	20.1
71.01374	0.8
71.99946	0.8
72.81563	0.8
72.99290	0.9
74.99074	1.0
76.97030	2.5
79.95725	1.9
86.99084	1.0
87.00860	5.1
89.00670	100.0
90.01010	3.8
91.00260	1.4
95.66393	0.8
118.44205	0.8
132.02173	0.7
135.00008	1.3
135.98378	4.9
136.00777	1.1
143.97064	0.8
159.01205	1.5
176.03862	12.8
177.02281	82.6
177.03989	5.0
178.02466	0.9
178.05458	10.2
185.06813	0.8
205.30385	0.9
249.91060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.8
59.01382	24.8
61.98827	1.1
69.03487	0.8
71.01383	100.0
71.61075	1.4
72.99313	10.9
73.02955	4.4
83.01386	1.6
85.02956	6.4
87.00884	4.2
89.02446	17.9
95.01379	1.7
97.06604	1.2
99.00863	1.9
99.04525	3.2
99.98846	0.9
101.02456	11.8
113.02448	10.5
113.06075	1.7
115.00376	13.0
116.92838	1.5
119.03504	7.2
119.05008	1.1
120.99683	1.3
121.97340	0.8
125.02438	2.3
127.04040	1.2
127.05125	0.8
128.03627	0.8
129.01973	1.0
130.08736	1.0
130.74380	0.8
131.03488	1.1
133.01443	1.1
135.08174	0.9
136.01625	1.0
137.09697	1.8
139.07646	1.9
143.03499	1.4
149.04631	1.0
153.09189	2.3
161.04575	11.7
165.09172	2.7
167.03568	1.1
179.05624	21.0
187.11264	2.2
197.11835	2.0
205.12347	2.8
218.15480	0.8
223.13396	17.4
225.15504	0.9
226.06355	3.0
241.08598	2.1
241.10823	7.4
241.14438	1.2
244.18658	0.8
251.06973	1.6
252.07799	1.0
280.07492	1.0
295.09723	1.1
357.09592	5.2
399.10675	1.0
403.20142	4.8
501.19794	12.2
502.20200	1.8
519.20282	12.4
520.20691	1.3
530.22919	1.1
537.91150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01381	25.4
61.98837	6.3
63.94458	7.2
64.95248	98.9
69.43780	6.3
71.01384	13.8
72.99302	2.1
73.01183	1.5
73.02959	2.3
75.00860	1.6
78.96825	6.3
79.00993	0.8
81.76797	0.8
83.01388	2.1
85.02979	4.3
86.00109	0.9
87.00872	3.2
89.02441	9.9
95.01397	1.4
95.91668	4.6
99.00883	3.3
100.01669	1.8
101.02455	8.6
110.94031	100.0
111.00882	2.5
111.04520	3.7
112.98803	11.5
113.02461	4.2
116.92882	1.0
119.03490	4.1
123.04544	2.8
125.02423	1.9
127.00426	0.9
127.46380	0.8
127.99366	1.2
129.01909	1.4
143.03465	1.6
151.04025	5.4
154.99881	4.6
157.05017	1.7
160.03766	2.2
161.73735	0.8
179.05643	2.4
183.06624	1.1
208.55658	0.9
227.16481	1.0
325.15729	1.1
331.10181	5.8
334.05179	1.4
335.06201	8.5
336.06967	89.0
337.07336	5.4
339.00357	1.0
339.25388	1.0
357.26373	3.2
382.05743	2.0
385.17859	1.5
413.02115	4.2
414.03152	8.5
475.25348	1.9
518.30652	1.7
519.06641	1.8
519.24689	1.7
519.31824	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	519.1147
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.61546	0.6
55.82040	0.6
57.03442	0.8
59.01382	9.5
60.83257	0.6
61.98837	23.5
63.12130	0.6
63.94469	1.6
64.95247	1.2
65.00329	0.7
69.92365	3.5
71.01385	3.6
73.02957	1.9
78.95913	1.7
83.01402	1.0
85.02958	1.0
89.02435	1.9
96.96974	1.2
98.20626	0.7
101.02465	3.5
102.02942	0.6
107.01377	1.6
113.02444	1.6
119.03535	0.8
128.03603	0.6
130.08745	1.0
131.27301	0.6
145.02974	1.3
145.09865	0.8
151.00354	6.4
155.05048	1.1
161.04581	1.3
163.00359	0.9
167.04968	0.8
183.04532	1.6
185.02422	0.8
187.04099	1.5
199.04028	7.7
200.04640	0.8
201.01994	1.0
203.03458	1.3
211.04063	0.6
215.03474	3.2
221.16643	1.6
223.69312	0.7
226.02766	1.1
227.03542	6.5
228.03964	0.7
242.02231	5.0
243.00420	0.9
243.02977	32.8
244.03468	2.2
255.03021	16.1
256.03519	1.8
257.04562	3.6
270.01733	5.1
271.02469	48.3
272.02887	4.5
285.04031	10.7
286.04718	2.7
287.05600	1.2
299.01971	65.4
300.02698	27.5
301.03174	2.0
313.03592	1.4
314.04333	58.4
315.05096	100.0
316.05524	5.4
333.13062	1.2
459.09299	3.9
477.10272	1.0
486.11462	0.7
519.11444	64.6
519.22705	7.0
519.30859	1.7
520.11987	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	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75363	0.5
59.01383	0.5
61.98833	4.9
62.96427	0.5
67.56333	0.4
70.97839	0.4
78.95906	45.3
96.96969	5.3
99.08159	1.8
144.50667	0.5
146.09039	0.4
150.98024	1.8
152.99591	100.0
153.99947	0.9
164.19975	0.4
171.00652	4.1
193.12317	0.8
203.44507	0.5
230.04274	0.6
277.21866	0.7
293.21219	6.0
294.21637	0.8
332.89389	0.4
431.22031	19.8
432.22437	1.7
516.44684	0.5
518.24652	3.0
519.27094	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	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01659	0.2
61.98835	0.3
69.42803	0.4
69.43201	1.8
71.64880	0.2
77.30289	0.2
78.95904	46.0
96.96967	5.8
150.97995	1.7
152.99588	100.0
153.99939	1.4
171.00659	3.5
175.69789	0.2
277.21902	0.7
286.32434	0.3
396.94705	0.3
431.22021	20.9
432.22400	2.1
518.25153	3.2
519.26190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23316	1.8
57.03450	8.7
59.01381	30.5
61.98830	32.4
63.94463	12.8
63.96240	2.3
64.95251	16.2
69.03455	1.8
69.32114	13.2
69.32532	4.6
70.99609	18.3
71.01381	28.5
72.97536	3.6
72.99313	3.8
73.01183	2.2
73.02946	5.5
74.99098	2.8
75.00874	2.3
75.69084	1.7
78.96819	34.0
78.97240	1.2
81.03452	3.2
82.99574	2.2
83.01390	4.3
83.05027	1.7
85.01211	1.9
85.02975	10.7
87.00896	3.2
89.00675	1.7
89.02438	11.3
95.01414	2.8
95.05041	1.9
95.33123	1.9
95.55283	1.6
97.02963	7.8
97.06547	3.9
99.00895	3.8
99.04528	6.4
100.20300	1.5
101.00685	3.6
101.02456	18.1
102.05201	1.8
106.69094	1.9
110.94021	13.8
110.99126	2.4
111.00883	5.4
111.04566	2.3
112.98798	3.2
113.00673	4.6
113.02453	7.4
115.99400	4.4
119.03526	4.8
121.67036	1.8
123.00902	3.5
123.04520	7.0
123.99923	3.3
125.02448	10.8
126.98605	4.3
127.99400	5.5
129.00165	7.9
130.99030	2.1
130.99878	7.6
131.01727	34.2
131.03369	1.9
134.68097	1.8
139.02249	5.6
139.04013	2.5
141.00197	2.7
141.05588	22.3
142.98096	13.2
143.01694	2.0
143.03477	2.1
144.30508	2.0
154.98062	3.7
155.01718	6.2
156.99646	36.7
159.01213	13.8
161.02769	2.1
161.04556	3.5
167.03488	20.8
169.23505	1.7
177.97070	1.6
179.05495	2.6
183.01219	22.0
184.01399	1.9
184.99110	10.4
192.50754	1.6
217.01799	5.2
331.09900	1.8
334.66479	1.6
335.06128	1.9
336.07028	8.5
347.09879	5.2
357.26425	3.8
407.06363	5.9
411.09644	100.0
412.09851	7.1
439.09183	2.8
441.12457	2.0
519.31763	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01382	32.9
60.01742	0.7
61.98832	100.0
69.88200	0.8
69.88496	3.6
71.01385	9.4
73.02951	11.2
80.84582	0.6
83.01371	3.1
85.02965	1.2
89.02445	3.5
91.76090	0.7
99.04544	0.7
101.02448	14.2
113.02472	5.3
119.03546	1.7
130.08699	0.6
131.03551	1.2
137.09764	2.5
143.03517	2.2
149.04593	2.1
161.04565	5.3
179.05716	0.8
221.06670	1.5
245.05920	0.7
353.97763	0.8
367.93472	0.6
463.46722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.8
59.01378	31.8
61.36864	1.0
61.70319	0.9
61.98830	100.0
66.39447	0.9
69.40195	9.2
71.01382	10.8
73.01189	2.0
73.02950	3.3
73.93814	1.0
83.01389	1.7
85.02949	3.6
87.00883	2.4
89.02462	3.1
98.36166	1.0
99.04530	2.5
101.02438	6.7
103.34260	1.0
104.98341	1.2
112.39009	1.0
113.02453	4.1
121.06630	1.2
124.79497	0.9
125.02464	2.0
129.05322	0.9
130.08760	1.1
133.02974	1.5
135.04523	1.4
137.09723	5.6
161.02446	5.5
161.04588	2.6
167.56720	1.1
175.02542	2.1
177.03383	1.1
189.12802	1.2
193.05031	1.1
203.05623	2.2
207.13918	6.5
247.95081	1.0
383.66907	1.0
459.22525	1.6
498.22272	1.1
518.29657	3.1
519.11542	1.4
519.18634	3.2
519.31995	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	518.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01382	3.2
61.98827	1.4
69.35254	1.3
69.35680	2.3
71.01382	2.2
73.02953	0.4
85.02948	2.6
85.95615	0.4
95.01435	0.5
99.04492	0.4
101.02447	1.3
104.05045	1.0
106.06629	100.0
107.06984	2.6
108.08189	4.0
113.02435	3.1
116.05148	0.4
118.06635	2.5
120.08197	1.2
124.28284	0.4
128.03529	0.6
130.06609	2.7
131.03737	1.3
134.06137	0.8
136.07747	0.4
143.04637	0.7
146.06094	2.1
150.05606	78.9
151.05969	2.7
162.05638	0.4
164.07166	20.7
165.07547	1.0
171.51663	0.4
174.05605	1.8
192.06659	11.2
194.04575	27.6
195.04880	0.9
204.06595	0.6
222.07704	1.2
236.05627	7.8
242.47000	0.4
250.07275	0.9
266.06799	0.4
278.06717	1.5
283.10876	0.5
296.07733	6.8
306.07620	1.7
356.09851	73.3
357.10266	5.4
398.10873	1.5
403.11429	0.5
439.16470	0.4
518.14697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66249	0.9
52.67579	0.9
54.37885	0.8
56.10385	0.8
57.03435	1.7
59.01381	46.9
61.98832	100.0
63.99100	0.9
70.99385	1.9
71.01383	18.9
73.02950	26.0
79.29212	0.9
83.01397	8.6
85.02962	2.2
85.63237	1.1
86.17802	1.0
89.02451	4.4
93.99294	0.8
98.20649	0.9
99.04434	1.2
101.02446	27.2
113.02444	9.1
115.79874	1.0
119.03490	2.0
125.02461	2.4
128.03506	3.4
131.03494	1.9
143.03511	3.0
143.04614	3.5
145.06248	0.9
149.04526	3.6
155.86739	0.9
161.04541	6.5
189.12819	5.2
221.06633	1.6
272.08832	2.5
306.07663	3.1
308.07458	1.6
337.06940	1.0
368.85962	1.1
441.53510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01381	42.5
61.98831	100.0
69.03437	0.7
69.50362	6.0
71.01389	10.8
73.02946	12.6
83.01392	3.2
85.02969	1.9
87.00914	0.8
89.02465	3.6
89.57260	0.7
99.04530	0.9
101.02446	14.1
109.90797	0.7
113.02450	7.7
119.03499	2.3
125.02455	1.0
125.98775	0.7
128.03600	0.8
131.03525	2.0
137.09726	2.6
143.03532	2.4
149.04567	2.8
153.79556	0.8
161.04578	6.0
164.85197	0.7
179.05687	0.9
189.12914	1.4
192.97375	0.7
199.03969	0.8
216.42796	0.8
220.82347	0.9
221.06778	1.0
243.02992	1.6
244.77376	0.8
255.02985	0.9
271.02478	3.4
299.01883	3.7
300.02692	1.7
306.07559	1.5
314.04300	2.2
315.05103	5.1
463.08618	1.0
519.11572	2.6
519.23163	2.5
519.31128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	1.4
59.01382	20.8
61.98829	5.5
63.94428	1.4
63.96231	1.2
70.81731	3.2
70.99597	1.4
71.01387	2.2
73.01173	100.0
79.95731	2.0
82.06384	1.1
83.01377	2.1
85.02990	2.0
89.00673	1.4
99.00874	5.5
101.00673	2.8
104.98364	9.7
112.98815	15.5
121.02973	2.3
128.03505	2.1
129.00188	8.2
134.99350	1.9
137.01009	21.7
142.99855	7.7
145.01431	1.6
168.98232	3.3
173.00903	24.0
174.01526	2.1
176.29607	1.5
245.01295	2.4
247.02921	2.8
433.34192	1.6
517.30634	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	517.1563
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
54.00099	0.5
59.01379	14.6
69.96096	2.9
70.50054	0.6
71.01382	14.0
71.01765	1.0
73.02934	3.6
82.63400	0.6
83.01381	1.1
85.02955	3.0
87.00893	1.7
89.02444	14.6
93.02277	0.6
95.01382	1.1
97.02956	0.9
99.00878	0.6
101.02432	9.5
101.03069	0.6
113.02453	6.4
117.03454	4.0
119.03519	5.6
125.02443	4.0
131.03505	1.7
132.02185	17.0
134.03745	54.3
135.04100	1.9
137.02437	1.4
143.03490	1.3
147.04546	1.4
149.04944	0.9
149.06075	6.4
160.01662	69.3
161.02003	2.2
161.04562	3.1
174.03165	1.1
175.04005	78.3
176.04477	4.1
178.02715	5.4
179.05632	5.3
189.05469	0.7
191.07112	2.4
193.05055	100.0
194.05446	4.0
202.02747	2.1
217.04994	5.4
221.06688	4.1
235.06133	5.5
247.45905	0.6
263.07675	1.5
323.09775	1.8
397.11337	4.5
455.72107	0.6
517.15485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.9
71.01380	8.6
73.02951	1.4
79.02901	0.6
82.33162	0.5
85.02955	2.7
87.00885	1.9
89.02457	6.7
95.01360	0.9
99.00917	0.8
101.02463	4.6
101.76368	0.7
110.07747	0.6
113.02457	5.0
119.03515	2.5
127.98680	0.6
131.03528	1.7
132.02182	17.7
132.78874	0.6
134.03743	13.9
143.03531	1.7
149.06091	1.4
160.01666	68.8
161.02005	2.7
161.03352	0.6
161.04541	3.3
175.04015	100.0
176.04321	5.0
178.02682	1.0
179.05655	4.2
191.07204	1.4
193.05075	21.1
194.05388	0.6
207.06723	1.1
217.05078	1.8
221.06691	2.6
235.06158	6.0
263.07751	1.7
265.07181	0.9
295.08276	0.7
337.09537	0.9
355.10608	0.7
380.78333	0.6
397.11377	16.4
398.11917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
58.90746	0.8
59.01390	6.2
62.70146	0.9
66.64387	0.8
69.95972	2.8
69.96392	1.2
71.01379	6.9
73.02940	1.7
73.28744	0.7
85.02958	2.2
87.00894	1.2
89.02448	5.9
98.19923	0.9
101.02468	3.9
111.74327	0.8
113.02453	4.3
117.03458	1.0
119.03512	2.5
124.44109	0.9
131.03517	1.7
132.02171	16.7
134.03732	12.9
149.06085	2.0
160.01657	68.6
161.01984	2.2
161.04535	2.6
175.04004	100.0
176.04385	3.9
178.02657	1.5
179.05539	4.0
191.07146	1.3
193.05080	26.7
194.05421	0.9
217.04953	1.5
221.06596	3.4
235.06108	7.0
263.07663	0.9
265.07059	1.4
295.08066	1.1
337.09250	1.5
397.11374	16.5
398.11554	1.6
503.97342	0.9
540.02301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31909	1.2
58.02983	3.2
59.01371	2.2
61.98832	8.8
64.95251	6.6
69.52287	1.5
71.61195	1.7
72.00910	1.8
73.02939	1.1
74.02477	10.7
78.95929	1.1
86.02485	5.4
87.05669	1.9
99.05625	7.6
100.00385	1.6
102.05566	1.5
104.98389	2.8
124.04101	1.2
125.03577	2.1
127.05128	1.9
128.03535	30.5
135.05644	2.2
136.95598	5.7
137.07124	1.4
143.04622	40.0
145.06134	2.1
146.04604	4.0
153.06676	1.4
155.08203	1.2
160.00682	6.6
160.31262	1.2
160.32718	1.4
167.04610	3.0
167.08253	1.3
171.07765	5.8
177.03363	2.8
179.04648	10.0
181.06235	1.9
185.05664	3.4
196.76324	1.2
197.05666	2.1
199.07208	1.9
201.05063	1.8
210.08871	8.8
228.09912	2.3
249.05637	1.9
254.07813	10.7
272.08862	27.7
288.06589	3.6
304.06226	3.5
304.94150	1.3
305.08661	2.8
306.07639	28.8
306.10931	2.2
307.07834	2.4
346.10770	9.0
347.10999	1.6
373.88004	1.4
378.07974	100.0
379.08029	6.5
411.05908	10.5
412.06628	1.5
500.22440	1.3
519.31653	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	517.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	61.4
59.30378	0.4
60.01711	0.7
61.98838	3.3
62.06758	0.4
62.54086	0.4
63.19234	0.4
69.75884	1.8
72.99325	0.4
85.92921	0.4
90.97147	1.1
106.20892	0.4
118.96639	0.8
120.57682	0.4
132.98198	1.7
151.73241	0.4
156.99921	0.8
157.03592	0.8
159.25990	0.4
174.99248	28.7
201.02556	9.7
201.04301	0.8
202.02769	0.8
217.00296	100.0
218.00700	2.8
230.98412	0.5
343.03656	0.7
359.01465	11.6
360.01666	0.9
374.99194	57.3
375.99551	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	517.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08726	1.5
54.11774	1.4
59.01381	19.7
61.98841	5.4
63.94486	1.5
66.91104	1.6
69.35983	10.0
69.36390	4.6
71.01377	3.5
73.01173	100.0
78.96788	2.1
79.95741	4.1
87.00839	2.0
99.00900	3.8
101.02474	2.2
104.98393	6.9
112.98817	9.7
121.02975	2.5
129.00183	7.8
137.01019	37.5
142.99873	5.3
168.98193	3.8
173.00877	18.2
176.60797	1.8
181.53110	1.6
245.01169	3.5
247.02950	2.6
251.09875	1.6
285.78540	1.7
504.06537	1.9
517.15283	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	516.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	11.7
58.03224	2.1
58.98781	2.4
59.01363	2.7
61.98844	3.5
70.02952	2.5
72.00916	7.2
73.01177	9.1
73.98342	3.1
74.02474	27.3
81.02225	3.8
82.02987	2.5
86.02485	25.7
86.06097	1.9
87.05648	3.5
88.04061	3.6
88.57838	1.9
97.04102	2.2
99.05656	20.2
100.00438	3.5
101.07214	3.0
102.05602	2.2
107.06157	2.7
109.04079	3.9
111.05695	2.4
114.00246	2.8
115.05174	2.8
119.05016	8.0
122.10793	2.1
124.04019	3.4
125.03600	4.3
127.05109	8.5
127.08765	2.7
128.03548	99.7
129.03886	3.3
130.05022	2.5
132.05760	2.9
134.03754	3.0
135.04492	2.6
135.05656	7.3
141.06697	4.3
143.04628	100.0
145.06187	20.2
146.04568	7.0
160.00740	10.7
162.05582	3.7
163.20282	2.2
166.09926	3.1
167.04608	4.7
167.08232	3.6
170.03394	3.3
171.04156	3.3
171.07744	28.4
179.04631	14.3
181.06093	4.2
185.05632	11.3
199.07216	12.1
201.05188	4.5
210.08894	21.3
217.06421	4.2
217.08188	4.6
228.09854	2.4
244.09334	10.5
254.07803	35.3
255.07840	2.6
272.08887	88.1
273.09494	9.3
288.06528	7.0
304.06052	27.1
305.08618	6.9
306.07663	90.1
307.07971	6.0
312.12338	20.6
328.09848	10.6
346.10764	83.0
347.11212	6.7
349.11835	2.5
364.89999	2.4
395.08206	6.5
497.91031	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	516.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	9.8
59.01387	6.3
61.98823	4.6
63.94461	8.3
64.95251	9.9
65.69456	1.2
69.71730	6.5
71.01383	1.5
73.01208	1.7
74.02486	20.4
82.02969	3.7
85.02945	2.1
86.02477	9.4
86.06093	1.4
86.99090	1.6
87.05646	4.4
90.00231	2.0
97.04067	1.7
98.19939	1.8
99.05648	18.4
100.00458	2.7
101.02496	1.5
101.07210	2.4
102.05630	2.4
104.98380	19.6
109.04079	3.3
111.05630	2.0
112.04054	3.0
121.02941	4.4
123.05593	2.5
125.03554	3.8
127.05223	2.6
128.03543	69.0
129.03940	1.3
135.05624	7.8
137.00998	6.6
137.07193	2.6
141.06708	4.5
143.04626	89.0
144.04982	1.7
145.06218	4.6
146.02803	2.3
146.04593	8.7
147.21016	1.3
153.06683	7.5
160.00734	18.9
166.09837	3.1
167.04605	3.7
167.08241	2.8
169.02536	1.5
170.03282	1.8
171.07706	2.8
171.29463	1.4
175.01753	1.6
177.03351	2.6
179.04622	16.3
181.06213	3.2
185.05646	1.4
192.07790	1.7
197.05659	2.5
201.16251	1.2
203.01242	1.7
210.08867	16.9
215.04865	2.9
217.80702	1.4
228.09883	1.6
242.07774	1.7
249.05475	4.5
254.07834	28.8
260.01273	1.4
262.74191	1.5
272.08865	65.7
273.09235	3.0
288.06589	13.6
304.06174	3.8
306.07645	100.0
307.07800	4.7
360.06915	1.9
378.07993	33.0
378.12921	2.1
379.08255	2.2
401.08795	2.5
489.69159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14909	0.6
59.01379	0.9
61.98832	100.0
65.80160	0.6
70.58218	0.6
71.60972	0.7
71.61418	1.0
94.43703	0.7
152.99614	0.8
173.73106	0.7
225.06863	0.7
327.38956	0.7
334.16318	0.7
484.67368	0.7
516.16809	1.2
517.32208	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
59.01384	3.9
61.98831	100.0
65.99841	0.3
66.21679	0.2
71.01395	1.0
71.61639	0.4
71.92711	0.2
73.01187	0.5
73.02951	0.5
74.02467	0.3
79.95722	0.3
85.02969	0.4
87.00885	0.4
89.02427	0.4
99.04545	0.9
101.02465	0.7
103.34281	0.2
104.98410	0.8
113.02444	0.7
119.03494	0.2
125.02459	0.7
128.03568	0.4
161.04582	0.3
306.07831	0.3
353.10416	0.4
354.17563	0.6
516.29114	0.8
517.30353	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	516.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	3.7
58.27407	1.1
59.01372	2.1
61.98821	2.6
64.95251	8.6
70.93160	1.2
70.93464	2.5
72.00909	2.3
73.01188	2.9
74.02484	10.8
84.37815	1.0
86.02486	7.1
87.05668	2.3
99.05654	7.7
100.00403	1.6
101.07172	1.8
104.98414	3.4
127.05103	3.4
128.03540	35.3
135.05644	2.0
136.95631	6.4
141.06725	2.3
143.04622	38.0
145.06206	3.1
146.04579	3.6
153.06755	2.4
160.00729	7.0
170.03342	1.6
170.58556	1.2
171.07751	5.5
177.03389	2.4
179.04625	9.3
181.06206	3.0
185.05611	2.2
192.07829	1.3
199.07201	1.9
201.05240	1.5
210.08849	10.5
228.09831	2.0
249.05617	2.0
254.07788	11.2
272.08875	32.2
273.09427	2.1
288.06659	4.3
304.06149	2.0
306.07672	28.5
307.07852	1.4
346.10834	9.8
360.07126	2.2
378.07971	100.0
379.08337	4.7
411.06073	8.5
517.30054	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	516.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11336	1.6
50.33765	1.6
58.02981	9.2
59.01367	2.7
61.98822	1.9
71.01399	2.1
72.00381	1.9
72.00903	2.5
73.01173	38.8
73.98320	2.3
74.02474	21.3
76.81548	1.6
82.02981	2.8
86.02482	10.5
87.05633	5.0
88.40990	1.9
90.00174	2.4
97.04080	5.5
98.19791	3.0
99.05634	18.4
100.00410	6.3
101.07196	3.1
102.05633	2.3
104.98369	7.0
105.99651	2.6
114.00182	3.6
123.05631	2.4
127.05085	3.2
128.03543	66.9
135.05630	2.2
139.04356	1.7
143.04628	69.5
145.06212	10.3
146.02812	2.0
146.04590	5.7
153.06683	6.6
155.08305	2.1
160.00731	15.2
166.09901	3.2
167.04572	3.8
167.08235	3.4
169.02618	1.9
169.06129	2.4
171.07768	4.4
175.01865	4.1
177.03377	3.4
179.04625	15.7
181.06177	3.8
185.05630	4.5
197.05653	4.0
203.04840	2.0
206.94955	1.7
210.08850	14.0
230.37708	1.7
249.05629	2.9
254.07790	20.8
272.08896	73.1
273.09497	3.0
286.04935	3.9
288.06567	6.3
301.99823	1.8
304.06116	40.1
305.06500	2.0
306.07672	100.0
307.07870	4.7
316.31787	1.7
319.19653	1.9
360.06824	2.3
378.07956	33.8
379.08072	3.7
452.09857	6.7
516.09790	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	516.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18253	1.6
53.40833	2.0
55.64038	1.7
58.02977	7.3
59.01355	2.6
61.98830	9.6
63.82035	1.7
70.99563	5.8
73.01176	35.2
74.02473	17.7
78.95907	3.5
82.03015	1.9
83.04979	1.6
86.02477	8.3
87.05630	3.8
97.04025	1.9
99.05640	13.8
100.00391	5.6
104.98378	7.5
112.04048	2.2
122.99043	1.6
125.03590	3.3
127.05109	3.8
128.03543	63.6
129.03822	2.3
135.05656	4.6
137.01006	2.3
141.06700	3.9
143.04620	71.7
145.06230	6.2
146.04581	6.9
153.06715	3.6
155.08275	2.7
160.00755	13.4
167.04588	5.6
167.08350	2.6
169.06175	2.4
171.07829	4.1
175.01828	3.9
177.03424	2.6
179.04573	11.8
181.06192	3.3
185.05588	3.6
197.05769	2.2
203.05034	3.0
210.08844	16.0
249.03560	3.1
254.07829	19.2
272.08884	63.1
273.09225	4.4
286.04932	2.9
288.06720	10.8
304.06161	14.5
306.07657	100.0
307.08081	3.4
356.18912	2.3
360.07077	2.5
372.16754	2.0
378.07892	31.2
429.09106	3.8
452.09726	4.0
484.95728	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	516.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	7.4
59.01395	1.7
61.98844	2.7
69.45407	6.4
69.45831	7.2
71.01386	2.4
72.00898	2.5
73.01176	56.2
74.02471	18.7
81.02223	2.1
82.02985	2.6
86.02484	9.9
86.99120	2.0
87.05642	4.9
97.04071	1.9
99.05634	15.0
100.00408	6.7
102.05621	3.7
104.98405	6.9
107.06140	2.4
109.07760	2.1
112.04076	2.4
123.05649	3.2
125.03646	2.0
127.05159	3.7
127.08898	2.2
128.03549	71.0
129.03873	2.1
135.05664	5.1
137.01038	2.2
141.06689	4.8
143.04622	84.8
144.04964	1.8
145.06165	3.7
146.02971	2.1
146.04541	8.6
153.06689	4.6
160.00735	16.4
166.09846	4.8
167.04628	6.5
167.08284	3.1
169.06183	4.1
171.07726	4.6
175.01811	4.6
177.03352	4.6
179.04655	17.3
181.06183	4.6
185.05673	3.8
197.05603	2.3
199.07320	1.7
210.08827	15.6
242.07919	2.3
249.03448	2.7
249.05530	5.2
254.07835	23.8
264.26663	1.8
272.08881	83.2
273.09399	3.7
286.04944	6.8
288.06647	14.2
304.06036	14.4
306.07648	100.0
307.07867	5.8
326.11008	1.9
378.03217	2.4
378.08008	46.7
379.08258	4.0
452.09903	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	516.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	12.3
59.01371	7.3
61.98822	14.0
69.34480	4.6
69.34814	23.4
70.02970	3.6
72.00916	7.1
73.01177	5.8
74.02481	26.9
79.66528	2.4
81.02197	3.0
81.04618	2.7
86.02470	19.4
88.04038	4.4
99.04510	4.6
99.05639	23.4
100.00416	6.2
101.07230	2.3
102.05580	2.8
109.04044	3.3
112.04053	4.5
114.00193	3.9
125.03550	3.0
125.97058	2.2
127.05157	8.1
127.08797	5.6
128.03539	92.3
130.05067	4.2
135.05632	7.5
137.07257	3.2
143.04620	95.6
145.06165	17.4
146.04579	8.1
153.06648	3.7
155.08264	4.0
157.06032	2.6
160.00723	8.5
166.09789	5.0
167.04597	6.1
167.08249	2.7
171.04042	4.7
171.07750	29.2
179.04640	19.2
185.05666	10.8
197.05653	2.8
199.07213	12.6
201.05106	2.9
210.08846	14.7
217.06387	3.5
217.08266	4.4
218.05482	2.5
228.09770	3.5
244.09410	13.3
254.07826	31.0
272.08865	100.0
273.09671	13.0
285.04037	3.5
288.06467	4.4
304.06094	22.6
305.08682	10.7
306.07639	85.6
328.09720	7.3
346.10757	92.7
347.11057	5.3
377.87653	2.5
378.07874	2.7
395.08322	7.9
406.08630	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	69.5
58.03799	1.1
59.01383	98.1
60.01717	1.2
61.98835	5.5
68.99877	0.5
69.46337	1.3
69.46754	2.4
71.01393	10.6
72.99313	1.0
73.02956	3.7
75.00879	0.8
80.16834	0.5
81.03457	2.8
83.01385	1.8
84.79819	0.6
85.02959	7.8
87.00876	0.8
88.98772	0.5
89.02441	3.5
94.14744	0.5
95.01389	1.5
98.20677	1.2
99.00877	3.9
99.04525	100.0
100.04844	2.9
101.02450	17.7
113.02464	9.2
116.92863	0.8
117.03467	1.8
119.03519	0.9
119.05021	0.7
125.02451	48.9
125.55591	0.5
126.02782	1.6
128.03532	0.7
129.01955	0.7
143.03506	2.3
143.04562	0.6
145.02963	3.7
161.04541	3.4
163.04077	0.5
175.02504	1.0
175.03947	0.6
181.56549	0.5
209.15408	1.7
227.03535	2.8
255.03027	3.9
272.09015	0.8
273.12830	0.6
284.03268	4.7
285.04016	5.0
353.19751	5.4
371.20752	15.0
372.21072	1.0
377.08682	1.2
411.08276	0.8
413.21841	5.4
427.09286	0.9
471.25531	1.1
513.82147	0.6
515.25586	1.1
515.29132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	17.4
61.98828	32.0
62.24721	12.4
71.61549	17.6
75.00860	100.0
77.24181	14.8
78.95900	47.8
89.76741	13.0
92.47871	12.9
111.75832	13.8
117.08513	13.0
134.33482	11.7
152.99640	27.6
153.38911	12.6
194.98499	14.2
198.43048	12.8
221.74792	14.0
255.23207	40.3
257.62250	12.8
267.46399	12.3
277.21927	14.9
280.01193	15.2
401.67438	15.0
427.89349	14.5
437.07022	12.6
452.27499	18.8
528.86035	14.4
538.75214	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	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
58.00585	0.3
59.01380	4.7
61.98834	0.2
71.01381	4.0
71.61540	0.2
72.99303	0.4
73.02950	0.7
75.00882	1.7
78.95905	3.5
83.01398	0.6
85.02949	0.7
87.00883	0.4
89.02436	3.1
91.04001	0.2
95.01405	0.4
96.96974	0.5
99.00856	0.2
101.02444	4.3
113.02448	1.9
119.03519	0.8
125.02491	0.3
131.03494	0.2
133.05080	0.3
143.03505	0.3
144.17909	0.2
152.99590	6.4
161.04547	1.5
171.00662	0.3
179.05611	0.3
179.41374	0.2
235.08189	0.9
253.09283	13.0
254.09641	0.6
261.22147	0.3
277.21899	0.4
279.23276	100.0
280.23630	7.5
345.36920	0.2
433.23389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19707	0.2
55.01874	0.3
58.00591	0.3
59.01096	0.3
59.01376	4.1
61.98826	0.2
65.93188	0.2
67.01853	0.2
68.67100	0.2
69.32780	0.5
69.33186	1.4
71.01385	3.6
72.99284	0.2
73.02945	1.1
75.00876	3.5
78.95895	1.4
80.23240	0.2
83.01374	0.5
85.02951	0.9
87.00873	0.8
89.02447	2.9
95.01400	0.3
97.02897	0.3
97.49319	0.2
101.02441	3.6
103.04029	0.3
113.02457	1.9
115.27143	0.2
119.03489	0.9
119.15891	0.2
120.88849	0.2
133.05081	0.2
151.59775	0.2
152.99588	3.2
160.30537	0.2
161.04556	1.4
171.00615	0.2
179.05614	0.7
203.22018	0.2
235.08212	0.8
253.09277	13.4
254.09607	0.5
261.22092	0.3
277.21771	0.7
279.23270	100.0
280.23624	7.8
305.27649	0.2
433.23599	0.7
496.79446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01141	0.9
57.03451	95.3
58.00593	0.8
58.03795	1.4
58.17979	0.9
59.01381	76.6
59.17715	0.9
59.30256	0.9
61.98835	25.5
69.70719	5.1
69.71141	1.5
71.01387	22.9
72.01744	0.9
73.02934	6.0
73.39778	1.0
75.00864	1.4
79.63509	1.1
79.95734	1.0
81.03476	1.6
83.01400	2.2
85.02964	10.0
87.00869	2.2
88.98807	1.2
89.02455	12.3
95.01377	2.9
99.04524	100.0
100.04858	2.3
101.02449	31.3
111.00861	1.4
113.02449	20.4
114.06640	1.1
115.92063	1.1
116.18269	1.1
119.03513	6.5
123.04554	2.1
125.02453	48.0
126.02840	1.4
127.05114	1.0
128.03537	3.4
131.03491	1.9
134.06140	2.4
134.80338	1.0
141.05597	1.2
143.03508	5.4
143.04623	2.3
149.04614	1.8
161.04539	6.5
174.01649	0.9
177.01979	1.0
179.05592	2.4
189.29832	0.9
190.02419	1.0
221.06715	1.8
253.04608	1.4
255.02971	1.6
271.05679	1.6
272.08838	1.9
284.03308	1.3
285.04095	1.5
331.66046	1.0
367.86234	1.0
413.09192	1.1
515.28668	7.2
516.28430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03451	89.4
59.01382	97.9
60.01744	0.9
61.98838	10.2
70.35851	1.0
70.36202	2.9
71.01391	12.2
73.01173	1.3
73.02958	3.9
74.02495	1.9
76.00658	0.9
81.03465	3.4
82.02992	0.8
83.01376	2.0
85.02945	6.5
86.02496	1.5
87.00868	1.3
89.02436	5.3
89.17838	0.8
97.02953	0.9
98.20541	0.9
99.00845	1.0
99.04524	100.0
100.04893	1.4
101.02447	22.2
104.98402	1.2
113.02447	5.4
119.03532	2.4
125.02454	38.6
126.01965	1.2
126.02792	1.0
127.05082	1.9
128.03546	9.4
143.03487	3.1
143.04631	7.6
160.00703	1.1
161.04567	7.2
167.03491	1.3
171.07751	1.3
179.05711	1.9
199.07141	0.9
210.08865	1.5
223.13403	1.8
253.04668	1.4
254.07845	2.8
267.12347	1.8
271.05811	1.0
272.08899	7.4
284.03372	1.0
303.74280	0.9
304.06079	1.4
306.07651	15.6
333.63464	0.9
336.51840	0.9
346.10822	4.5
368.21753	2.8
371.20648	3.4
378.08432	1.0
413.21664	2.0
455.19232	1.2
515.27612	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	515.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49516	0.8
54.01535	0.9
57.03451	84.7
58.03798	1.2
59.01382	78.7
60.01727	0.8
60.26325	0.8
61.98835	27.7
65.27547	0.8
69.03433	0.9
71.01384	12.2
71.17267	2.0
72.99328	0.9
73.01182	1.7
73.02942	2.1
81.03463	2.3
83.01396	1.7
85.02959	3.8
87.00880	0.9
89.02434	10.4
92.91676	0.8
95.01376	1.2
96.33357	0.7
97.06544	0.9
99.00903	1.3
99.04524	100.0
100.04854	2.1
101.02449	23.2
113.02475	6.6
119.03526	3.5
125.02452	40.8
126.02757	1.7
128.03535	1.3
143.03522	3.0
145.02928	1.0
161.04659	1.1
179.05647	3.3
186.51831	0.9
208.15855	0.8
222.88780	0.9
255.02946	1.2
266.34311	1.0
271.05643	1.2
285.04074	1.7
371.20871	3.0
398.03333	0.9
413.21747	1.0
515.28937	4.9
531.33972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01374	1.0
61.98830	100.0
62.90737	0.2
64.95252	0.3
69.34481	0.4
69.34888	1.4
70.99607	1.5
71.01379	0.5
73.01176	0.7
73.02941	0.2
74.02467	0.4
76.73924	0.2
79.93980	0.4
80.34998	0.2
85.02955	0.4
86.02482	0.2
86.06876	0.2
87.00883	0.5
89.02459	0.4
93.02986	0.2
99.04539	0.2
99.05658	0.4
100.00378	0.3
101.02452	0.5
104.98432	0.3
108.62989	0.2
113.02489	0.3
120.99665	0.2
125.02441	0.4
128.03522	1.3
131.04579	0.2
133.66692	0.2
134.99411	0.3
136.95615	0.4
143.04628	1.2
153.06754	0.2
167.04633	0.2
175.01837	0.4
192.98239	0.3
210.08838	0.2
231.03358	0.3
249.03760	0.5
254.07829	0.4
272.08813	0.9
282.99649	0.4
286.05011	0.4
304.06107	0.5
306.07654	1.3
378.07922	0.4
515.28192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61480	2.1
59.01348	2.6
61.98841	4.4
65.38369	2.1
71.01389	2.3
71.60274	3.6
71.92072	2.0
73.04074	3.1
74.02470	10.6
78.95907	4.0
82.02982	5.5
84.04552	2.5
85.08499	2.3
85.25798	2.0
86.72633	2.1
94.20583	2.2
96.96033	4.7
96.96963	3.7
102.05605	16.9
113.07220	22.9
114.05599	2.6
115.08806	3.5
123.05666	7.4
124.04041	12.7
126.01990	9.7
127.05129	6.8
127.08768	2.6
128.03549	100.0
146.04588	33.9
155.08286	6.0
159.07790	4.7
167.04619	18.0
184.10901	4.0
185.05707	3.4
224.10449	6.7
237.13608	2.6
245.16811	2.3
255.14653	10.3
266.11417	10.3
284.12497	3.9
293.83066	3.1
325.78055	2.7
341.14655	28.2
352.06219	3.4
385.17288	13.0
426.19730	2.8
470.18915	40.0
471.19073	5.1
514.21619	60.1
515.22119	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	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.1
61.21806	0.1
61.98832	100.0
69.41642	0.6
69.42067	0.3
74.81123	0.1
98.19890	0.2
107.20546	0.1
136.38811	0.1
162.76114	0.1
174.73314	0.1
297.90463	0.1
442.52155	0.1
514.32513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70308	0.8
57.03441	3.2
58.02964	2.9
59.01379	6.3
59.73144	0.8
61.98830	100.0
63.94442	1.9
64.95251	11.0
69.50193	5.9
70.99607	42.2
71.01378	5.7
73.01173	22.2
73.02941	1.7
74.00710	4.0
74.02470	6.3
75.00879	0.9
75.75222	0.9
79.93949	6.2
80.94751	3.1
82.02976	1.8
82.47980	1.1
83.01398	1.3
85.02959	4.5
85.04103	1.0
85.45790	0.7
86.02466	3.6
87.00872	3.0
87.05641	1.7
88.98798	1.6
89.02464	0.9
90.00200	0.9
95.93434	1.6
97.04065	2.4
99.05636	7.3
100.00404	10.6
101.02433	3.5
102.05605	1.6
102.96826	5.3
104.98364	3.0
107.15572	0.8
111.47190	0.8
113.02435	2.3
113.04314	3.3
113.07253	0.9
119.03526	1.3
120.97847	0.9
121.97724	0.9
123.04552	1.0
123.05521	0.8
125.02451	5.3
126.02798	1.0
127.05144	1.6
128.03535	25.9
128.98431	1.0
129.03790	3.8
134.99454	8.5
135.05627	1.2
136.95589	6.4
140.98393	2.7
141.06673	2.2
143.03624	1.0
143.04625	24.7
145.06255	1.4
146.04607	5.6
153.06680	1.8
158.99391	3.3
160.00734	4.7
161.04453	1.4
167.03085	0.8
167.04579	4.0
167.08208	1.0
169.06172	6.5
175.01814	7.3
177.03378	1.2
179.04607	4.5
185.03975	1.2
185.05551	1.9
192.01547	2.4
192.98125	6.3
203.04959	3.3
210.08878	4.8
210.89871	0.8
211.01833	2.0
249.03662	5.7
254.07898	7.7
262.20889	1.0
272.06100	1.7
272.08875	20.6
272.11826	1.0
273.09344	1.5
282.99579	13.2
286.04968	7.6
288.06543	2.9
304.06116	11.6
306.07639	31.8
307.07761	2.1
322.58716	0.8
325.81573	0.9
331.17786	1.0
346.10397	1.3
378.07977	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	515.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	97.8
59.01382	100.0
61.98825	3.7
69.03455	4.6
71.01389	49.2
71.61018	3.5
72.99329	2.7
73.02951	58.0
81.03431	4.3
83.01389	17.9
85.02961	10.0
87.00877	3.2
88.04073	4.6
89.02448	7.9
92.63557	2.3
96.04581	2.7
97.02955	2.8
99.00903	4.8
99.04522	63.8
101.02451	79.9
103.71394	2.3
104.03736	2.2
113.02451	24.3
115.00320	2.8
119.03503	4.7
123.04496	3.9
125.02457	43.2
128.03564	3.5
128.90166	8.4
129.01906	4.3
130.08778	3.9
130.76308	2.5
143.03531	14.9
149.04602	13.6
161.04579	42.2
175.02493	2.4
177.69876	2.1
192.73203	2.5
203.05588	13.5
214.15712	3.2
221.06700	14.2
222.60796	2.4
255.02800	2.7
266.03900	2.5
281.11533	6.1
282.11792	4.2
289.31046	2.9
300.02802	4.5
365.10806	4.9
406.08719	3.6
418.99673	2.5
496.27811	3.2
497.28058	5.2
514.28790	3.8
515.18622	3.1
515.29309	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27960	2.3
53.05555	2.3
59.01097	2.9
59.01381	53.7
69.34809	3.6
69.35216	18.5
71.01380	37.4
72.35943	2.4
75.00874	2.9
78.95891	4.5
85.02927	6.0
87.00880	10.4
89.02446	48.6
93.03429	2.2
96.96951	13.1
99.00919	3.2
101.02438	22.4
112.98810	4.5
113.02439	17.4
119.03500	14.4
128.07190	2.2
129.01971	4.1
142.99854	15.5
143.03481	6.8
149.04556	2.8
161.04526	5.3
172.06123	4.5
172.89926	9.0
173.00897	9.1
173.04468	5.5
173.06465	2.3
174.04005	7.2
179.05646	25.2
182.78766	2.1
206.56926	2.4
232.03737	2.2
323.13870	2.4
341.10889	100.0
342.11353	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10413	1.7
57.03447	8.2
59.01382	100.0
61.98834	41.3
71.01391	35.2
71.61221	1.9
72.99329	1.7
73.02946	2.0
85.02952	5.1
87.00877	3.7
89.02452	44.2
95.01370	3.0
99.00854	1.9
99.04522	13.4
101.02441	21.4
106.73248	2.0
113.02448	19.5
119.03498	21.6
125.02448	5.3
131.03491	1.8
143.03476	6.3
151.07626	5.3
152.08435	11.3
161.04567	8.0
172.10942	3.2
179.05597	12.6
207.06755	2.1
301.16486	4.9
332.98590	1.8
384.01224	1.7
447.26059	5.1
453.24911	32.9
453.34302	2.2
454.25027	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.3
56.68614	0.1
58.00614	0.3
59.01380	6.3
69.40788	0.6
69.41203	0.2
70.83586	0.1
71.01384	4.8
72.84275	0.1
72.99322	0.3
73.02952	0.9
83.01377	0.7
83.05038	0.1
85.02956	1.3
85.03438	0.1
87.00878	0.5
89.02444	3.3
91.04025	0.1
93.65572	0.1
94.53261	0.1
95.01421	0.3
97.02973	0.2
99.00903	0.3
99.04545	0.1
101.02444	4.4
113.02451	2.0
119.03495	0.7
123.03940	0.1
125.02473	0.2
127.07710	0.2
131.03484	0.2
132.60089	0.1
133.05075	0.4
143.03514	0.4
145.05067	0.1
157.05127	0.2
161.04550	1.4
179.05591	0.6
190.26750	0.1
205.19417	0.1
233.22649	0.3
235.08205	1.0
238.26173	0.1
243.26106	0.1
253.09286	15.3
254.09729	0.5
259.20596	0.3
275.20114	0.3
277.21710	100.0
278.22058	8.2
404.33798	0.1
487.16260	0.1
509.83405	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
58.00601	0.3
59.01377	6.2
59.50384	0.2
69.49728	0.9
71.01382	4.7
73.02936	1.0
83.01395	0.4
85.02954	1.0
87.00867	0.6
89.02444	3.7
91.04009	0.2
95.01396	0.5
97.02961	0.3
99.00877	0.3
101.02447	4.4
113.02456	2.1
119.03490	0.8
127.07618	0.3
131.03525	0.2
133.05112	0.3
143.03502	0.3
161.04535	1.4
175.30168	0.2
179.05602	0.5
193.94032	0.2
233.22763	0.3
235.08215	1.3
253.09283	15.0
254.09615	0.7
259.20670	0.2
275.20172	0.3
277.21707	100.0
278.22052	8.5
381.01947	0.2
526.22388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80516	2.1
57.03451	5.6
58.02980	6.1
59.01374	17.8
59.59214	2.0
61.51950	1.9
61.98833	100.0
63.94479	6.4
64.95255	25.7
69.49505	4.6
69.49910	14.1
70.99612	99.2
71.01374	14.7
73.01171	55.3
73.02930	2.7
74.00697	10.6
74.02480	19.8
75.00881	3.2
78.95883	2.4
79.93964	19.0
80.94754	8.0
82.02971	5.5
85.02954	13.0
85.04067	2.4
86.02488	6.8
87.00886	5.7
87.05654	5.1
89.02429	4.5
95.93436	3.4
97.04069	3.0
98.19876	3.2
99.04523	5.1
99.05632	12.6
100.00412	22.0
101.02444	7.7
101.07207	3.3
102.05629	3.2
102.96835	8.7
104.98404	9.1
112.04060	3.4
112.16253	2.1
113.02474	5.2
113.04333	6.7
115.97932	2.0
120.97877	5.7
122.53722	2.4
123.05663	3.3
124.01648	4.5
125.02468	13.7
127.05123	3.1
128.03539	64.9
129.03813	6.9
130.08727	2.4
133.64497	2.1
134.99455	23.2
135.05634	3.0
136.95593	15.7
137.07214	3.0
140.98396	6.6
141.06685	4.3
143.03568	2.7
143.04617	60.1
145.01497	2.9
145.06187	5.5
146.04584	11.4
151.05101	2.3
158.99530	11.5
160.00719	7.2
161.04573	3.1
167.04626	11.0
167.08261	2.3
169.06163	11.3
174.01836	2.2
175.01822	20.6
177.03360	5.1
179.04570	11.4
181.06102	3.0
185.03940	4.6
185.05539	5.2
192.01563	4.0
192.98233	16.3
195.70299	2.1
203.04926	11.7
210.08878	9.4
211.01817	4.4
242.07950	2.7
249.03549	14.3
254.07863	16.9
255.99635	2.2
272.08896	49.4
273.09232	4.3
282.99576	26.5
286.05029	19.3
288.06564	7.9
299.31876	2.2
304.06149	30.0
306.07657	75.3
307.07898	3.3
346.10690	3.5
378.07956	30.0
398.20767	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90005	1.2
57.03449	100.0
59.01380	77.7
59.01821	1.8
61.98832	28.5
69.49123	11.2
71.01384	12.0
72.33419	1.5
73.02953	11.0
81.03471	2.4
83.01382	3.9
85.34198	1.4
87.00862	1.8
88.63492	1.4
89.02457	2.2
99.04520	92.8
100.04842	1.9
100.47656	1.5
101.02441	27.5
108.02170	3.4
113.02438	4.9
123.04505	5.3
125.02454	42.0
131.03456	1.7
143.03477	4.6
149.04488	1.4
155.03471	1.9
161.04573	3.2
167.03459	4.7
203.05496	1.8
235.08427	1.5
327.89914	1.6
335.02124	1.9
336.41455	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	513.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88942	1.6
56.56591	2.1
57.03452	99.6
58.03805	1.9
59.01384	98.3
61.98836	17.1
62.95762	1.5
69.29097	13.1
69.29520	4.5
71.01379	7.8
72.75973	1.6
81.03458	3.6
85.02941	4.2
89.02429	1.9
99.04524	100.0
100.04840	2.0
101.02448	15.2
102.83344	1.6
113.02453	2.4
118.21492	1.6
123.00967	1.7
124.01588	2.2
125.02456	47.9
138.26306	1.6
143.10713	2.2
149.99562	4.6
161.04642	2.3
168.00624	8.3
325.12790	2.2
342.94754	1.8
513.16235	12.4
513.27191	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	513.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79543	0.9
57.03453	80.0
59.01383	70.9
61.98834	12.1
69.03434	1.3
70.44044	3.8
71.01389	24.8
72.99307	1.8
73.02940	4.5
75.00882	1.4
78.19104	1.0
79.95751	1.4
81.03463	3.1
83.01382	2.1
85.02965	12.8
87.00883	1.2
89.02454	12.5
91.25034	0.8
92.73983	0.9
95.01394	5.2
97.03052	1.1
99.04527	100.0
100.04861	2.3
101.02451	32.4
109.02987	1.3
113.02451	28.3
119.03508	7.5
123.04526	2.2
125.02457	52.0
126.02745	1.3
131.03517	2.8
143.03514	6.0
147.03069	1.4
149.04536	2.3
153.05563	2.4
161.04526	9.5
179.05643	2.4
221.06641	1.4
231.94337	0.9
321.53452	1.0
333.25586	1.1
377.98734	1.0
453.23663	1.2
513.20331	2.3
513.27832	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05165	0.5
56.34720	0.5
57.03450	73.6
58.00600	1.2
58.03787	1.1
59.01381	83.3
60.01740	0.6
61.98832	5.4
68.04266	0.6
71.01388	22.1
71.10242	1.2
72.99312	1.1
73.01194	0.7
73.02948	3.5
73.20584	0.6
78.95893	0.7
79.95750	0.9
80.96526	4.9
81.03415	2.9
83.01400	2.3
85.02954	5.7
87.00867	1.6
88.54066	0.6
89.02451	14.3
95.01383	1.7
96.96004	1.4
96.96957	1.5
99.00844	1.1
99.04523	100.0
100.04862	1.9
101.02444	23.3
104.98351	0.5
113.02457	16.3
119.03497	5.3
124.01656	1.1
125.02451	51.5
126.02763	1.2
128.03517	0.9
129.85219	0.6
131.03517	1.1
137.09721	3.6
143.03522	3.3
143.04474	0.5
149.04539	2.1
149.99544	1.1
155.10684	0.8
161.04558	8.6
161.91505	0.5
167.04753	0.5
168.00581	3.2
169.01395	0.7
173.00926	0.7
174.01686	0.9
179.05652	4.3
221.06541	1.4
225.00671	1.2
248.90184	0.6
369.19073	1.8
411.20129	0.9
513.15729	3.8
513.20282	2.2
513.26617	3.8
514.21008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03448	70.0
59.01380	87.2
61.98832	15.1
69.55142	4.2
69.55544	1.6
71.01385	18.1
73.01148	1.3
73.02936	3.3
80.96516	3.4
81.03453	3.8
83.01380	2.1
85.02970	4.8
87.00848	1.8
89.02452	13.6
95.01428	1.5
99.00893	1.2
99.04519	100.0
100.04853	1.7
101.02442	21.5
113.02464	15.5
119.03500	5.7
125.02448	51.8
126.02779	1.5
131.03487	2.7
137.09711	2.8
143.03510	3.2
149.04535	1.2
161.04552	8.9
173.00914	1.1
179.05591	4.0
191.56943	1.0
316.09454	0.9
326.21744	1.0
338.69998	1.0
351.18106	1.4
411.20255	2.1
513.20270	3.5
513.26996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.0
56.30921	1.1
57.03447	3.6
58.00585	1.2
59.01382	50.3
61.98822	6.8
69.03455	1.5
69.67513	7.3
71.01382	42.8
72.99315	3.3
73.02947	20.4
73.81097	1.1
75.00857	1.5
78.95884	1.3
83.01378	11.8
85.02952	20.9
87.00864	6.2
89.02448	13.1
95.01390	4.0
97.02951	2.1
99.00880	4.9
99.04536	1.4
101.02444	48.2
103.04025	5.4
113.02459	15.2
119.03517	5.8
125.02434	5.6
128.03557	2.1
131.03511	2.0
143.03481	3.6
143.04524	1.9
144.00626	3.7
145.05087	1.8
148.08128	1.2
159.03052	2.4
161.04558	11.7
163.06134	17.2
205.07140	4.4
224.33461	1.0
229.07253	1.9
247.08116	2.7
260.33954	1.3
265.09265	1.5
306.07541	1.8
307.10403	2.7
307.17624	49.7
308.17908	2.0
453.23416	100.0
454.23978	9.3
490.85300	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60064	1.2
59.01382	60.1
61.98833	2.8
69.41154	2.3
69.41555	10.6
71.01382	4.2
75.04977	1.3
79.95741	1.4
85.02944	2.4
89.02454	1.6
95.01434	1.9
101.02419	4.3
101.19218	1.2
113.02435	6.2
119.03507	2.0
122.76565	1.1
142.99832	1.5
149.83830	1.1
161.04471	1.8
165.12836	14.0
173.00960	1.8
174.01686	4.2
240.26753	1.1
243.34427	1.4
247.20686	9.8
264.26852	1.2
269.08591	1.4
273.18597	3.5
291.19666	100.0
292.20032	7.2
293.68875	1.5
304.79861	1.2
305.21149	2.2
333.20718	5.2
346.33493	1.4
494.44147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86152	1.2
55.20809	1.0
59.01381	18.4
62.02407	1.0
62.34350	0.9
65.05429	1.1
69.32047	6.9
69.32452	2.3
71.01382	19.9
72.99308	51.1
78.95902	27.1
85.02932	1.1
89.02441	19.1
96.95982	3.0
96.96960	44.8
98.19807	2.0
101.02472	6.0
109.76297	1.0
113.02435	5.4
115.00369	31.1
118.96631	1.5
119.03492	7.5
121.25011	1.1
126.84447	1.1
128.95967	1.7
131.03499	1.2
133.01430	100.0
134.01738	1.5
143.03508	2.2
149.04599	1.1
152.37563	1.2
152.95956	52.0
153.96300	1.6
161.04555	1.4
170.88857	1.4
170.90234	28.1
170.97011	92.3
171.00572	7.2
171.02850	1.3
171.97359	1.5
179.05582	7.6
230.98154	5.8
231.03555	2.4
288.30408	1.2
322.97183	1.7
341.10867	39.2
342.11166	3.0
377.08502	3.0
513.08551	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	513.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71742	1.3
57.03449	100.0
58.03778	1.8
59.01382	89.0
61.98832	18.6
65.48589	1.2
69.34906	9.9
71.01382	17.0
73.02943	4.7
74.42224	1.3
78.95904	1.7
81.03458	2.0
83.01388	2.3
84.71127	1.2
85.02934	6.7
87.00851	1.5
89.02438	3.5
91.20888	1.5
95.01380	1.7
99.00887	2.1
99.04521	87.9
100.04858	2.6
101.02451	22.5
113.02446	7.2
125.02452	37.9
143.03563	1.7
158.03342	1.3
160.65436	1.3
161.04518	5.9
180.04126	1.4
239.42596	1.2
266.59448	1.2
277.20956	1.2
281.23016	1.4
291.18033	5.2
453.23346	19.7
454.23993	1.4
506.60248	1.9
513.19678	2.2
516.02527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18664	1.4
51.79852	1.1
52.83600	1.3
59.01372	4.5
61.98829	84.3
69.56956	9.6
81.91041	1.2
89.87277	1.4
99.04544	3.0
101.02448	1.4
151.00293	2.0
184.29471	1.3
188.89662	1.2
211.03780	1.5
227.03490	36.9
228.03859	2.5
246.98029	1.3
255.02962	46.7
256.03549	6.2
284.00806	1.4
284.03271	50.2
285.03955	21.3
447.09308	100.0
448.09668	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	511.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76431	0.3
57.03448	0.3
59.01384	1.8
61.98827	1.1
64.95245	0.4
69.27721	2.3
69.28130	0.6
71.01382	1.8
73.02951	0.9
77.38878	0.3
78.95920	0.4
80.37585	0.3
83.01378	1.6
85.02949	1.0
87.00828	0.4
89.02442	0.8
96.96022	1.7
97.02963	0.3
99.00875	1.0
99.04512	0.3
101.02447	0.9
111.00848	0.4
112.98841	1.7
113.02440	0.7
137.02425	0.5
142.99875	4.4
143.04517	0.4
151.00725	0.8
171.01147	0.5
173.00905	4.8
174.01692	100.0
175.02061	3.0
187.60924	0.4
200.81383	0.3
203.05632	0.4
206.64291	0.3
234.97687	0.3
245.01234	1.0
279.00024	34.1
280.00354	1.6
315.76440	0.3
451.21915	1.0
469.23386	0.4
511.05884	6.4
512.05927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83776	0.6
56.38737	0.6
57.03452	40.6
58.03785	0.7
59.01382	22.7
61.98842	4.3
66.59601	0.6
68.41654	0.6
70.28172	2.5
71.01386	1.7
73.01215	0.6
75.00880	0.9
78.95907	1.6
81.03441	1.5
85.02968	0.8
87.00855	1.5
89.02447	0.8
99.04523	42.4
100.04891	0.8
101.02446	7.4
119.05031	100.0
120.05374	4.0
125.02448	26.7
127.16577	0.7
142.99889	0.7
143.03571	0.8
152.05403	2.6
153.05783	0.8
161.04494	0.8
178.16837	0.7
226.13171	0.7
233.25568	0.7
285.03784	0.8
405.14737	0.7
435.17566	1.7
475.92880	0.8
479.16608	1.9
511.18637	1.5
511.28735	0.7
536.44769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
57.03456	5.9
58.00596	2.2
59.01383	69.4
61.98829	7.3
69.03458	4.1
70.73857	1.6
70.74200	3.1
71.01385	69.0
72.99286	3.5
73.02946	27.7
75.00854	1.6
81.03458	1.9
83.01396	20.0
85.02957	33.3
86.00086	8.6
87.00879	30.0
87.04504	4.2
89.02443	18.2
95.01369	6.0
97.02970	6.4
99.00877	8.5
99.04519	5.5
101.02444	49.8
103.04025	12.1
111.00856	2.4
113.02460	19.3
115.04002	3.3
119.03492	8.4
119.48057	1.2
125.02450	11.8
129.01944	1.7
131.03537	2.1
141.01907	2.2
143.03484	4.3
143.10687	1.5
145.05115	3.0
159.02995	4.8
161.04562	18.4
163.06129	22.0
167.14771	1.2
168.66908	1.4
205.07086	4.4
215.10851	2.8
215.12874	45.8
216.13155	2.4
229.07069	2.7
247.08151	4.7
255.02789	1.3
293.96957	1.1
305.16037	42.6
306.16281	3.2
307.10364	5.3
366.68411	1.4
400.51712	1.2
451.21848	100.0
451.31998	2.4
452.22333	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	510.058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
57.08732	0.9
59.01379	6.3
60.97530	11.3
61.98834	100.0
63.96214	2.4
69.36942	5.7
69.37364	2.9
70.99619	1.5
71.01390	2.9
72.99313	1.4
73.01162	1.5
75.62352	1.0
76.97041	1.2
78.95889	1.5
79.95716	2.1
89.00675	4.8
89.02435	3.0
97.01188	3.0
98.19874	1.8
99.02729	1.4
101.02437	2.6
104.98421	1.5
109.01154	2.5
110.12289	1.1
113.02477	1.6
113.04307	3.2
115.02255	5.4
127.02264	1.5
132.09528	1.0
134.03835	1.4
137.03102	7.1
142.99963	62.5
144.00272	1.5
144.34293	1.1
152.05405	47.0
153.05612	1.8
158.99435	2.2
161.01010	37.8
163.68388	1.0
171.77869	1.0
181.98996	1.4
197.89796	1.0
199.10286	1.0
202.01979	1.0
213.78893	1.0
230.04549	1.0
236.78677	1.2
249.00752	4.0
251.02539	1.6
258.49957	1.0
263.85809	1.1
380.49796	1.0
404.76190	1.3
449.22614	1.1
477.94556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36943	1.1
57.03446	2.2
57.97547	1.2
59.01383	7.3
59.69470	1.1
60.66296	1.3
60.97529	12.4
61.98831	55.2
63.96231	4.7
69.76811	1.2
70.99607	2.0
71.01370	3.4
71.16813	2.0
73.01159	1.2
73.02945	1.2
74.28599	1.3
76.97009	2.4
78.95911	1.4
79.95740	2.5
85.02934	2.2
89.00681	5.3
89.02447	1.3
97.01152	1.7
99.02752	1.5
99.04523	2.9
101.02428	2.4
104.98426	1.8
109.01170	1.8
113.04327	2.7
115.02229	7.6
117.28417	1.4
125.02375	1.2
127.02296	1.1
137.03043	14.4
142.99950	58.7
144.00304	1.4
152.05397	100.0
153.05713	3.7
158.99438	5.6
161.00990	40.2
170.76324	1.1
179.63907	1.1
184.23526	1.1
198.82573	1.1
249.00708	4.2
347.20743	1.2
412.53101	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	509.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.0
59.01394	10.0
61.98840	12.6
70.02966	4.6
70.49918	1.8
71.01374	5.5
71.02516	2.5
71.46014	1.8
71.60457	2.5
73.02975	2.1
74.02464	5.7
78.95895	1.7
79.93934	3.0
82.02973	4.0
84.04536	1.9
85.02956	2.7
87.00878	3.3
87.05627	4.8
89.02448	4.2
95.93458	2.2
96.00921	45.6
98.02487	10.6
99.01984	4.9
101.02449	4.4
102.05609	22.2
109.01691	2.3
109.04137	2.1
110.02468	2.0
111.01986	2.5
113.02407	2.5
113.03581	40.3
113.07201	1.9
114.01949	2.4
115.47584	1.7
116.92821	2.6
119.03453	2.2
121.02950	3.4
127.05145	2.4
128.03548	100.0
129.03856	2.4
131.04633	14.9
135.02963	1.8
141.06746	2.3
142.99846	4.1
146.04597	24.3
158.06119	2.3
159.07803	4.2
160.01639	3.1
160.07680	3.1
164.07085	2.2
173.00891	6.7
174.01730	12.0
175.04025	4.0
176.04382	2.0
185.05713	4.5
186.05544	13.0
200.07141	3.1
203.08202	5.8
204.06609	8.4
204.35056	1.6
221.09256	2.5
231.03200	4.1
239.08229	2.7
244.06087	2.6
261.08856	2.4
289.11972	3.9
294.89346	1.7
294.99521	2.1
300.10474	1.7
301.08322	23.2
318.10907	10.1
330.95932	2.0
336.11826	2.3
359.14801	2.1
361.58740	1.7
362.13663	6.3
380.14575	5.3
394.16367	3.0
430.12555	29.2
431.12912	2.4
447.15231	18.1
448.13718	2.2
465.16211	6.7
474.15143	23.0
475.15482	3.9
491.17889	28.7
492.17053	6.3
508.45218	2.0
509.18652	35.9
510.19196	4.9
516.35150	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03460	1.7
58.00584	2.0
59.01378	100.0
60.32355	1.6
61.98829	26.3
70.27303	2.3
71.01382	38.5
71.72925	1.5
72.99293	5.5
73.02946	27.8
78.95908	1.8
79.95743	2.0
83.01370	2.2
85.02942	15.6
87.00888	10.1
87.04502	3.6
89.02441	28.5
96.96014	1.7
99.00887	2.4
99.04518	3.3
101.02444	55.5
103.04010	21.3
113.02433	5.4
115.04010	5.6
119.03506	15.6
125.02457	4.0
127.04082	1.6
131.03505	12.4
139.39215	1.6
143.03476	14.2
145.05139	7.1
161.04593	1.5
163.06122	85.9
164.06416	2.2
168.99670	1.7
179.05545	1.9
205.07152	29.5
265.09161	6.6
293.51620	1.4
301.03470	1.7
309.27243	1.6
449.23956	14.7
450.24350	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	509.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.1
60.54641	2.0
61.98832	22.1
71.01389	7.2
73.02976	2.3
78.95904	12.4
83.01381	1.9
85.02956	3.4
85.71851	2.0
89.02438	5.7
96.96014	5.9
96.96946	15.6
99.04477	3.0
99.92614	3.0
101.02454	13.0
113.02460	3.7
117.11684	2.3
120.97936	5.3
125.02396	2.4
142.99939	2.6
150.40211	2.0
152.05405	2.5
173.00943	3.3
174.01755	4.8
175.02483	3.4
183.13924	10.1
193.95618	2.2
195.13896	9.3
213.14961	100.0
214.15302	5.2
253.09312	20.8
304.87555	2.2
345.94708	3.0
436.82986	2.4
509.21857	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	509.2885
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
56.22079	0.4
61.98833	0.6
67.44810	0.4
70.68943	0.7
74.69796	0.3
74.89172	0.3
78.95905	21.5
96.96976	1.7
107.03279	0.4
150.97992	0.5
152.99596	31.2
153.99910	0.7
171.00644	1.5
196.89478	1.1
227.03273	5.1
245.04419	1.9
256.23633	0.5
281.24860	100.0
282.25208	8.2
417.24026	0.7
469.96786	0.4
509.28824	56.5
510.29086	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00637	0.4
53.19941	0.4
57.53792	0.4
70.03996	1.6
70.04417	0.7
72.79786	0.4
78.95907	8.5
91.40846	0.4
96.96951	1.0
103.90362	0.4
116.18875	0.4
128.84633	0.4
138.94124	0.4
152.99596	15.3
171.00676	0.7
212.24791	0.5
227.03253	2.6
245.04227	1.9
261.22348	0.5
266.12866	0.4
279.23279	100.0
280.23611	7.9
281.24753	1.0
282.25351	1.1
428.26242	0.4
444.40451	0.4
507.27240	29.0
508.27603	2.7
532.97540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15002	1.0
57.47794	0.9
59.01368	2.8
61.98832	15.0
64.38347	0.9
69.79364	5.3
71.01375	2.2
73.01158	2.8
76.02998	0.9
78.95905	17.6
89.02453	1.3
93.51697	1.0
101.02457	1.6
117.60770	1.0
121.02962	1.2
122.03771	1.5
140.01187	5.9
152.99577	4.5
167.14436	2.2
168.04251	1.0
177.45520	1.2
196.03796	2.7
214.04930	7.7
215.77945	1.2
223.20660	3.0
247.16536	1.1
249.18565	8.1
267.19647	100.0
268.19989	8.7
275.16528	11.3
276.16907	1.4
276.49246	0.9
293.17584	38.7
294.17969	3.5
311.18652	66.4
312.18921	5.6
410.90485	1.1
481.33118	1.1
508.23184	78.7
509.23297	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	509.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
58.76694	1.2
59.01380	80.6
61.98818	2.2
70.56767	3.5
70.57118	2.2
71.01395	2.7
81.03456	2.6
85.02962	2.4
99.04523	78.2
100.04936	1.6
101.02446	16.1
125.02454	30.7
133.54964	1.2
246.76561	1.5
279.14746	1.7
345.34128	1.3
509.29666	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	509.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	84.5
58.03791	2.8
59.01380	100.0
59.73067	1.5
61.98823	5.2
68.80920	1.5
69.34642	13.8
71.01379	15.7
72.99294	3.4
73.02953	5.0
75.00851	1.8
81.03461	3.3
83.01375	3.6
85.02952	8.2
87.00867	2.9
89.02451	7.3
95.01380	1.9
98.20586	2.8
99.00903	2.2
99.04520	85.1
100.04809	2.9
101.02437	22.9
107.75053	1.6
113.02454	9.0
113.68484	1.4
118.11051	1.5
119.03458	2.0
123.75948	1.3
125.02443	38.5
129.01994	1.4
136.01750	1.8
143.03444	2.3
151.03960	2.4
160.01701	1.6
161.04532	3.6
175.02472	2.3
175.03963	1.8
192.96872	1.4
205.33064	1.9
243.03040	1.9
255.03009	4.9
271.02502	3.6
284.03162	2.0
285.04178	2.2
300.02731	3.4
305.16074	2.0
321.15591	6.7
421.09546	2.8
449.20099	2.9
467.21576	2.5
509.23062	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	84.5
58.03791	2.8
59.01380	100.0
59.73067	1.5
61.98823	5.2
68.80920	1.5
69.34642	13.8
71.01379	15.7
72.99294	3.4
73.02953	5.0
75.00851	1.8
81.03461	3.3
83.01375	3.6
85.02952	8.2
87.00867	2.9
89.02451	7.3
95.01380	1.9
98.20586	2.8
99.00903	2.2
99.04520	85.1
100.04809	2.9
101.02437	22.9
107.75053	1.6
113.02454	9.0
113.68484	1.4
118.11051	1.5
119.03458	2.0
123.75948	1.3
125.02443	38.5
129.01994	1.4
136.01750	1.8
143.03444	2.3
151.03960	2.4
160.01701	1.6
161.04532	3.6
175.02472	2.3
175.03963	1.8
192.96872	1.4
205.33064	1.9
243.03040	1.9
255.03009	4.9
271.02502	3.6
284.03162	2.0
285.04178	2.2
300.02731	3.4
305.16074	2.0
321.15591	6.7
421.09546	2.8
449.20099	2.9
467.21576	2.5
509.23062	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	507.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05667	0.5
54.85585	0.5
55.01867	1.3
59.01379	3.1
59.54924	0.5
63.96242	0.9
71.01378	1.7
71.17525	1.3
72.99307	2.3
75.00875	29.9
78.95906	0.9
78.96815	0.6
78.98602	2.6
84.27399	0.5
87.00875	9.1
89.02428	1.2
99.00867	1.0
101.02454	2.0
105.01937	8.8
117.01915	1.0
119.81974	0.5
121.02964	0.9
122.35260	0.5
125.59995	0.5
129.01944	4.9
138.35286	0.5
147.02988	3.2
165.02388	3.6
165.04039	100.0
166.01778	2.2
166.04388	2.1
210.89265	0.5
294.25769	0.6
486.18295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	66.3
59.01382	100.0
60.01698	2.3
61.98823	5.5
66.11201	1.7
71.01386	11.0
71.61298	3.0
73.02949	3.8
73.06484	1.5
79.59860	1.7
81.03442	3.9
82.74055	1.6
85.02954	2.5
88.04007	2.1
89.02456	4.4
99.04525	83.4
101.02462	13.7
110.31772	1.6
113.02473	4.1
115.00357	2.8
116.92872	2.3
120.99652	4.3
121.02973	2.5
124.27930	2.0
125.02457	31.7
128.03508	2.4
130.08789	2.5
132.03061	2.0
143.03485	2.6
161.04535	2.8
179.08281	1.9
185.58476	1.6
193.13326	2.7
196.96751	1.7
277.13071	1.8
319.14047	2.6
327.08994	3.5
345.15561	1.9
391.23380	2.7
392.22314	3.2
507.25143	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	507.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16130	1.7
57.03448	94.6
59.01381	100.0
61.98829	70.3
66.49596	2.2
69.56773	14.5
70.18190	1.9
71.01384	13.2
73.01166	5.3
73.02921	5.3
75.00873	1.7
78.95924	5.2
81.03450	2.6
83.01402	2.6
85.02953	6.4
87.00833	2.2
88.98774	1.8
89.00683	3.7
89.02436	3.4
96.96011	2.9
96.96978	6.5
99.00864	4.1
99.04515	84.9
101.02443	27.8
104.98389	5.3
113.02448	7.4
125.02451	31.2
134.03734	3.7
136.95566	2.5
142.99879	2.4
143.03481	2.1
161.02483	3.9
161.04556	6.9
173.00870	5.2
174.01691	11.0
178.02750	1.9
181.58450	2.0
193.05089	3.8
277.16599	2.5
278.99847	2.8
312.49747	2.3
345.30246	4.6
507.35818	23.1
508.36081	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38503	3.4
57.03423	8.9
58.00589	9.7
59.01382	100.0
61.98830	57.8
63.26362	4.3
69.38524	22.9
69.38947	10.0
71.01379	82.8
71.10303	3.4
72.99313	5.0
73.01170	10.5
73.02944	9.5
78.95874	5.4
80.96515	3.8
83.01379	5.4
85.02949	13.3
87.00868	11.2
89.02445	87.7
90.71603	3.6
99.04505	6.5
99.97539	3.4
101.02443	48.1
104.98411	5.2
112.98767	4.4
113.02450	19.0
119.03490	12.4
125.02436	8.3
128.03493	3.5
131.03493	44.6
137.02498	3.8
143.03468	6.2
149.02628	4.2
149.04555	78.2
156.31081	3.6
166.90607	3.8
174.01630	6.5
179.05699	3.9
191.05695	18.1
299.06033	3.8
362.92651	3.9
389.39783	3.4
396.59525	4.2
427.25336	4.6
447.22211	29.1
448.22745	5.0
507.20630	5.6
508.27811	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	506.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71090	0.8
57.03446	2.0
59.01384	4.0
60.97550	0.9
61.98840	4.4
63.96243	4.8
64.03226	0.8
70.21350	3.5
71.01395	5.2
72.99297	1.1
73.02956	0.9
76.97038	2.9
79.95746	2.2
83.01380	2.6
85.02930	4.3
94.96339	1.4
99.00883	17.4
101.00671	1.5
111.00876	5.5
112.98817	44.9
113.76528	0.9
113.99178	1.0
115.00357	1.4
124.98813	1.7
129.00195	6.0
129.01927	2.6
137.03058	3.3
140.16621	1.0
141.00156	4.7
142.99866	29.6
145.01418	4.5
152.05408	18.7
173.00917	100.0
174.01616	7.4
184.02599	32.7
185.02824	1.2
201.49533	0.8
245.01227	2.8
247.02805	19.5
319.10129	1.6
427.33353	0.9
505.26926	1.0
506.06097	6.4
507.06039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65853	1.3
58.00575	2.3
59.01380	42.0
61.98838	1.5
68.63749	1.4
69.94662	2.5
69.95087	4.7
71.01386	29.8
72.00909	13.9
83.01376	1.5
85.02952	4.1
89.02443	39.7
95.01381	1.6
98.20012	1.4
101.02446	16.8
113.02441	12.6
119.03508	15.9
131.03467	1.6
143.03519	4.4
147.04526	43.0
148.04854	2.2
157.89330	1.3
158.98909	1.4
161.04552	6.0
164.07164	97.3
165.07520	3.0
179.05598	26.5
190.02629	1.9
340.11023	1.4
341.10876	100.0
342.11331	6.6
436.80310	1.5
472.63968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81730	0.9
57.03450	1.5
59.01388	8.3
61.98819	1.8
62.15635	0.9
69.26945	6.3
69.27353	3.2
71.01387	2.0
73.02925	1.5
76.00918	0.9
85.02926	1.1
89.02427	1.8
96.47930	0.9
99.04573	1.4
101.02437	1.6
113.02444	1.3
121.02946	2.8
127.05141	1.0
130.08789	1.5
142.22571	0.9
145.03017	1.8
153.01926	1.0
169.16689	1.1
181.06523	1.3
185.06085	1.4
193.05051	1.3
197.06085	3.7
209.05977	1.9
212.04892	2.0
213.05521	6.9
223.03995	1.5
224.04840	3.5
225.05560	10.8
227.07149	1.4
237.05568	3.5
238.06390	2.2
239.03450	1.4
240.04253	5.7
241.05045	25.1
242.05489	2.2
253.04988	11.3
254.05556	1.5
255.06654	4.0
256.07370	12.5
259.06146	1.8
268.04041	1.1
268.07370	3.3
269.04544	6.6
271.06268	1.5
271.09814	3.0
281.04559	2.8
282.05234	2.2
283.06097	3.3
283.09549	2.0
284.06873	3.8
285.04047	2.5
296.06970	8.0
297.04065	27.0
297.07504	2.4
298.04364	2.0
299.05710	2.8
300.06445	11.1
301.07037	1.2
311.05609	4.4
312.06412	20.1
313.06866	1.6
314.08026	1.7
315.08731	71.0
316.09015	6.8
327.08731	100.0
328.09052	9.9
345.09964	3.0
445.20911	1.2
507.23755	1.0
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
52.25070	0.5
56.48393	0.5
57.03452	1.2
59.01381	100.0
60.01714	1.0
61.98832	2.2
71.01385	3.8
73.02954	4.2
75.00877	0.5
77.12226	0.5
83.01402	1.8
85.02979	1.0
85.53346	0.4
87.00880	0.5
88.80267	0.5
89.02454	1.8
98.19894	1.1
99.04543	0.5
101.02441	9.2
112.93769	1.5
113.02480	2.2
113.03615	0.6
119.03509	0.8
127.05168	1.0
131.03511	0.7
136.91678	0.5
149.04562	1.2
156.52054	0.5
161.04584	2.0
193.05023	0.6
221.06592	1.2
223.13336	4.5
248.41563	0.5
289.56998	0.5
298.73056	0.5
316.06863	0.5
372.15955	1.9
487.19232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Amoritin
Peak:m/z	Relative Intensity
64.37659	0.7
66.68433	0.7
69.57964	1.1
69.58374	3.6
78.95906	26.2
78.96369	1.6
82.81455	0.7
88.84475	0.6
92.46678	0.7
93.68667	0.7
96.96976	1.7
105.51747	0.7
108.11948	0.7
112.12060	0.7
115.45441	0.8
117.36543	0.7
118.30661	0.6
126.51814	0.8
129.41690	0.6
150.98030	1.1
152.99588	36.7
171.00629	2.1
227.03273	6.1
228.03648	0.9
245.04306	1.3
277.21710	100.0
278.22144	6.9
362.01169	0.7
413.20816	1.6
505.25723	61.5
506.25876	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	505.9383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78102	0.7
59.01388	2.4
61.98830	100.0
71.17886	1.4
193.57298	0.7
253.25549	0.7
420.60242	0.7
444.31027	0.8
457.44501	0.8
457.50977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29421	0.6
59.01380	4.3
61.98833	100.0
63.99292	0.8
64.40081	0.6
64.95244	0.8
71.01389	2.6
71.61727	0.9
72.25215	0.6
73.01196	1.0
73.02960	0.7
75.00861	0.6
78.35718	0.6
79.95759	0.8
85.02975	1.1
87.00872	0.8
89.02463	1.6
101.02473	2.4
104.98426	1.1
111.29552	0.7
113.02415	1.1
120.99673	1.0
122.27549	0.9
135.04453	0.7
174.01694	1.1
188.26077	0.8
194.49806	0.6
239.16516	1.4
259.94571	0.9
282.31949	0.7
285.77042	0.7
287.84421	0.7
320.42871	0.7
374.68991	0.9
443.26987	0.7
506.09250	0.8
506.20941	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	506.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01379	3.3
61.98830	100.0
63.33746	0.4
69.56823	0.7
69.57224	2.7
71.01389	2.0
73.01179	1.6
73.02954	0.7
76.91660	0.4
78.95926	0.7
79.95732	1.1
85.02962	1.1
87.00904	0.4
96.96004	0.6
96.96954	0.5
98.19827	0.4
99.04501	0.8
101.02439	1.3
104.98415	1.2
113.02451	0.9
137.06068	4.2
138.06447	0.9
161.04596	0.7
168.98346	0.7
171.84502	0.4
173.50429	0.5
174.01663	0.5
181.05070	5.9
181.06546	0.6
182.05420	1.4
204.93501	0.5
389.10580	0.5
461.63773	0.5
505.33676	2.6
506.34784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92596	0.5
55.01885	0.9
57.03446	4.0
59.01374	5.7
60.97523	1.4
61.98826	3.7
63.96243	3.5
68.99808	0.6
70.45069	1.3
70.99606	1.2
71.01382	6.6
73.01172	2.4
73.02944	1.1
76.97028	2.3
79.95738	3.7
83.01369	3.3
85.02957	6.1
87.00881	1.2
88.98804	1.0
99.00878	15.1
99.04519	1.3
101.00668	8.9
101.02447	1.7
108.41457	0.6
111.00891	5.1
112.98814	42.8
113.02389	0.6
113.99148	1.0
115.00360	2.3
115.33980	0.5
124.98832	1.6
125.02408	1.1
129.00169	34.7
130.00488	1.1
137.03044	2.4
142.99863	30.8
144.99713	1.1
145.01392	3.4
152.05400	8.7
154.03381	0.8
173.00911	100.0
174.01610	7.1
175.02441	1.1
184.02606	10.8
185.02968	0.6
214.79102	0.5
217.01747	10.6
219.03317	5.9
228.03464	0.7
232.82405	0.6
245.01254	2.2
245.03857	0.5
247.02800	20.3
331.04190	0.5
467.17969	0.6
496.13431	0.7
505.26599	1.0
505.99347	1.1
506.06223	8.8
506.27856	0.8
507.06598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
57.53828	0.4
59.01381	100.0
60.01719	1.3
61.98846	0.7
69.26904	0.4
69.27148	0.7
69.27554	2.5
69.27856	0.3
71.01385	2.3
73.02952	3.2
83.01417	1.0
83.22568	0.3
83.55800	0.4
85.02991	0.4
87.00875	0.4
89.02443	0.7
98.19918	0.8
99.04561	0.6
99.92609	0.4
100.64960	0.3
101.02438	2.8
113.02464	1.5
116.92857	5.1
117.92929	0.5
119.03524	0.7
134.03801	0.5
143.03523	0.5
149.04588	0.7
150.03285	0.5
161.04594	1.4
165.05597	0.6
179.05811	0.4
193.05122	1.0
195.06654	0.7
202.41666	0.4
203.05643	0.6
205.12411	1.3
221.06647	0.4
223.13406	2.2
231.54558	0.4
271.02893	0.4
302.68173	0.4
483.22821	0.4
486.16614	0.4
505.23273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
59.01384	16.8
61.98832	100.0
63.26860	1.4
69.47893	8.6
71.01392	9.7
73.01157	4.9
73.02948	5.2
76.75117	1.4
79.95714	3.4
80.96489	2.2
85.02959	2.2
88.93180	1.5
89.02451	2.4
90.15989	1.2
98.20646	2.1
101.02436	5.3
103.97617	1.7
104.98370	3.4
137.57831	1.3
142.99925	1.3
146.04918	1.3
167.14383	1.4
174.01643	2.8
209.01401	1.7
227.06129	1.5
239.16519	19.9
240.17001	2.0
326.04062	2.0
419.22748	2.3
461.23972	7.7
504.97473	2.9
505.10193	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01381	100.0
60.01717	1.1
60.04391	0.4
60.38452	0.4
60.99294	0.5
61.43293	0.5
61.98831	2.7
71.01390	3.2
71.32970	0.5
73.02970	1.0
73.59661	0.4
84.84769	0.4
85.02978	0.7
87.00878	0.9
88.98789	3.0
89.02426	2.8
89.81419	0.5
96.96010	1.1
99.04539	1.0
101.02467	1.5
113.02473	1.5
116.92872	1.6
118.92619	0.6
119.03521	0.9
125.02457	0.8
132.22888	0.5
134.03786	0.9
138.18613	0.4
161.04572	1.2
162.05635	0.7
165.05620	0.6
181.01480	0.5
191.05678	0.7
193.05130	0.8
195.06577	0.8
201.86143	0.5
223.13454	1.2
255.02849	0.7
324.50943	0.5
341.10501	0.6
389.12625	0.6
445.20953	1.7
520.59180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0989
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01366	0.7
61.98835	0.4
63.02393	0.4
64.83443	0.2
64.95216	0.3
65.00321	1.4
68.83068	0.2
71.01385	0.3
78.25795	0.2
83.01379	0.8
91.01861	0.4
93.03454	0.5
95.01380	0.2
107.01401	3.0
108.02150	1.5
109.02957	2.4
110.36071	0.2
119.01417	0.3
121.02956	2.2
124.01596	0.2
135.00859	1.1
137.27049	0.2
144.08728	0.2
148.01648	2.0
149.02409	0.3
151.00381	11.9
152.00746	0.4
152.19426	0.2
153.01854	0.3
159.04549	0.5
160.01695	0.4
163.00383	3.2
164.01160	0.7
169.01451	0.4
170.78183	0.2
173.00894	0.2
174.01709	0.7
175.03969	0.7
178.99863	5.6
180.00191	0.3
183.04539	1.0
185.06064	0.2
187.03981	0.6
190.99931	0.5
192.00604	0.4
198.02979	0.3
199.03983	1.4
200.04305	0.2
201.02074	0.3
201.05540	0.5
203.03548	0.6
211.04004	1.4
213.01810	0.3
214.02698	0.3
215.03467	0.9
216.04282	0.5
226.02727	1.4
227.03484	3.8
228.04021	0.5
229.05121	0.7
239.03546	0.6
243.00406	0.5
243.02971	11.3
244.03482	1.4
245.04413	1.6
254.02211	2.2
255.02979	31.0
256.03421	2.4
257.04697	0.2
271.02463	62.8
272.02936	5.5
273.03824	1.1
283.02457	1.5
299.01990	2.7
300.02740	100.0
301.03476	52.6
302.03870	4.0
355.41428	0.2
369.49261	0.2
445.07761	2.9
463.08832	2.1
464.08987	0.4
505.09872	55.0
506.10199	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	505.0992
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
52.08431	0.5
58.98468	0.5
59.01387	3.8
61.98851	0.8
69.46648	1.2
69.47041	3.8
95.28880	0.5
107.01390	1.1
108.02162	1.0
110.32455	0.5
121.58011	0.5
127.05126	0.6
148.01657	1.5
148.05310	0.6
151.00381	3.3
163.00388	0.7
169.07410	0.5
177.95520	0.5
178.05096	0.6
178.99869	1.8
199.03903	0.8
201.01874	0.7
216.04260	1.0
224.07542	0.6
226.02779	0.7
227.03445	3.0
243.02982	10.0
244.03502	0.9
254.02161	2.0
255.02982	22.5
256.03387	1.3
271.02469	53.1
272.02997	4.6
299.01959	4.6
300.02753	100.0
301.03369	15.4
302.03873	0.8
342.13513	1.3
343.13742	2.3
369.95535	0.6
376.74966	0.6
445.07813	3.9
446.08011	0.7
463.08618	1.4
505.09900	34.5
506.10358	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	505.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68831	0.2
56.08753	0.2
59.01371	0.5
61.98837	0.3
65.94563	0.2
66.50709	0.2
71.09309	0.2
71.09617	0.3
77.03998	0.2
93.03490	0.3
96.98382	0.2
121.02956	100.0
122.03292	2.8
149.02274	0.2
152.99568	0.2
180.05779	0.5
181.06599	3.5
197.06038	2.4
207.04488	1.2
207.08099	0.5
223.03899	0.4
225.05533	2.2
233.91890	0.2
251.07295	0.3
252.99623	0.2
257.09689	0.9
269.07996	0.3
276.88440	0.2
282.35577	0.2
285.09174	0.4
295.06110	0.3
301.08734	0.4
313.03708	0.5
313.07159	5.1
313.10776	0.3
314.07526	0.3
357.06323	0.8
373.11023	0.5
383.07690	1.2
417.09778	11.0
418.10098	0.8
433.09497	0.4
461.12680	0.5
505.11414	8.4
506.11847	1.3
506.19553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70412	0.8
56.00254	0.9
57.03445	3.6
59.01092	1.3
59.01377	19.3
60.99325	1.1
61.98830	100.0
64.51955	0.8
64.95244	3.1
69.79591	2.1
69.80003	3.3
71.01376	3.9
73.01173	4.3
73.02937	0.9
76.95245	1.1
79.95732	4.0
80.96504	1.6
83.04993	1.3
85.02972	1.7
87.00845	1.1
89.00695	1.0
89.02465	1.6
89.47618	1.0
93.03459	6.4
93.65098	0.8
96.96962	0.9
98.20599	1.8
99.04531	2.6
101.02438	5.3
104.98354	2.1
107.05006	3.0
108.02129	1.2
113.02444	1.5
121.02950	5.0
125.02441	1.2
135.04507	3.3
137.06079	70.0
138.06429	1.8
142.99887	1.6
151.03970	1.5
161.04523	1.0
174.01689	2.6
181.05060	91.2
182.05382	2.9
209.72702	0.9
272.95642	1.5
291.88690	0.9
300.02655	1.5
353.29807	1.1
397.05899	1.1
470.01517	1.1
504.97855	2.1
505.27231	1.4
505.33850	3.5
505.38748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.07459	0.6
65.45992	0.6
68.27259	0.6
71.52029	1.1
71.55772	0.6
78.95924	1.1
96.96029	1.6
97.98469	0.6
105.21840	0.6
109.62678	0.6
126.40337	0.6
177.96794	0.6
194.90163	0.7
279.23312	1.0
307.26413	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	504.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40207	0.3
59.01354	0.4
59.44693	0.3
60.83430	0.3
61.98519	0.5
61.98836	9.4
62.96383	0.4
71.01388	0.4
71.61708	0.4
71.62186	0.3
75.00885	0.3
76.09341	0.4
78.95908	23.4
81.99501	0.3
83.71529	0.3
85.02943	0.3
88.04007	0.4
96.96014	0.4
99.00934	0.4
101.84563	0.3
113.02448	0.6
122.00121	0.7
134.12859	0.4
140.00204	0.5
140.01198	6.4
143.98662	0.3
152.99612	2.2
196.03799	11.1
214.04858	2.5
255.23285	1.0
279.23450	0.6
307.26434	100.0
308.26797	10.2
504.31003	29.9
505.31079	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	505.0989
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
51.39743	0.2
59.01381	3.5
63.02402	0.6
65.00336	1.3
69.47492	0.6
69.47919	1.3
71.01368	0.9
73.02925	0.3
78.95894	0.4
83.01391	1.0
87.00866	0.3
89.02461	0.4
91.01904	0.4
96.95994	0.3
98.20652	0.5
101.02434	0.6
107.01385	2.5
108.02164	1.6
109.02968	1.4
112.93752	0.7
113.03567	0.3
115.92266	0.3
121.02986	1.8
125.02425	0.4
128.03529	0.7
134.03760	0.5
135.00877	1.1
148.01689	1.9
149.02422	0.8
149.04417	0.3
150.03287	0.3
151.00380	10.0
152.00833	0.3
153.01952	0.3
157.06352	0.3
159.04489	0.5
160.29193	0.3
161.02478	0.4
163.00369	2.5
164.01158	0.5
166.02806	0.4
169.01506	0.5
171.04369	0.5
174.01761	0.4
175.04018	0.5
178.99860	5.7
181.05099	0.6
183.04517	0.5
187.03952	0.9
190.99800	0.5
192.00606	0.5
193.05087	0.4
198.03185	0.8
199.03926	1.5
201.02103	0.6
201.05362	0.4
203.03549	0.8
211.04027	1.5
215.03546	1.3
216.04158	0.7
223.13263	0.3
226.02679	3.5
227.03474	4.2
228.04118	0.4
229.05034	0.9
234.43854	0.3
241.14485	0.4
243.02982	14.8
244.03508	1.2
244.05928	0.3
245.04430	1.3
254.02196	4.2
255.02982	24.8
256.03357	1.6
257.04660	0.5
271.02478	72.4
272.02914	6.2
273.03998	1.3
283.02505	0.9
299.01999	2.8
300.02750	100.0
301.03467	46.6
302.03848	2.5
372.15680	0.3
445.07639	2.7
446.07980	0.3
463.08932	2.0
505.09885	69.8
506.10123	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	504.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27706	0.4
58.00586	0.8
59.01381	13.0
61.98817	2.6
63.11757	0.4
71.00991	0.7
71.01381	11.6
71.01763	0.7
71.60683	0.6
72.70273	0.4
72.99323	1.0
75.02735	100.0
75.35050	0.4
76.03074	1.6
78.95892	0.5
82.60203	0.5
85.02953	2.6
87.00879	1.3
89.02444	16.4
89.02997	0.8
95.01397	1.2
96.23563	0.4
96.26516	0.4
96.97041	0.4
101.02444	6.1
102.02757	0.4
113.02456	5.3
118.68056	0.4
119.03509	5.9
131.03519	0.9
143.03505	1.7
144.16428	0.4
147.04445	0.7
149.04582	0.5
161.02422	0.7
161.04544	2.6
162.05942	35.1
163.06195	1.0
164.07182	1.1
172.86890	0.5
179.05606	9.6
180.05948	0.6
217.79872	0.4
289.77051	0.4
324.06812	0.5
341.10873	40.9
342.11331	2.7
370.53741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67418	0.5
59.01377	3.7
61.98832	100.0
64.12823	0.4
64.62807	0.5
70.58133	1.4
107.95558	0.4
111.26762	0.4
130.18790	0.5
145.50737	0.7
146.33426	0.5
173.00945	0.7
277.78888	0.4
310.97629	0.8
485.33502	0.6
503.33615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53920	0.4
53.05268	0.4
56.61261	0.4
59.01383	2.0
61.98832	100.0
69.78222	1.4
73.01160	0.5
90.70478	0.4
99.04523	0.7
112.98857	0.6
124.10065	0.5
142.99869	0.6
146.14116	0.4
158.02602	0.4
170.80566	0.4
173.01003	1.0
179.19969	0.4
247.02704	0.9
261.40930	0.4
264.84988	0.4
287.28839	0.4
310.97366	0.8
503.32477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65893	0.4
53.77737	0.4
59.01380	0.8
60.24821	0.4
61.98831	100.0
70.92285	0.8
71.16908	0.4
73.01188	0.4
83.55005	0.4
86.04988	0.4
111.49772	0.4
341.46591	0.4
361.00150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60472	0.5
59.01394	2.5
61.98830	100.0
70.43668	1.7
71.01387	1.1
73.01176	0.6
73.31731	0.4
74.02474	1.1
88.91950	0.4
97.31898	0.5
135.11600	0.4
137.66330	0.5
257.77899	0.4
258.02740	0.5
294.28415	0.5
504.28659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38936	0.9
58.02971	7.9
59.01376	6.0
61.98831	50.3
63.94464	1.9
64.15994	1.2
64.95244	1.7
66.03440	1.6
69.51027	8.3
71.01389	3.4
72.00889	1.8
74.02479	19.9
76.95229	1.8
78.96821	13.3
82.02976	1.9
84.04520	1.1
85.04041	1.5
85.32481	1.1
86.02488	8.3
87.00855	5.8
87.05640	3.5
89.02361	1.0
90.00211	1.1
97.04038	1.8
98.19924	2.2
99.04651	1.4
99.05641	17.5
100.00403	2.2
101.02425	1.2
101.07193	3.3
102.05571	2.6
104.98373	5.9
109.04082	1.6
109.07729	1.3
111.03517	1.0
111.05641	1.0
112.04071	2.0
113.03596	0.9
116.01794	1.4
123.05671	1.9
124.95613	9.7
125.03604	1.9
127.05124	3.2
128.03545	58.4
130.08739	2.0
130.70860	1.1
131.31381	0.9
135.05615	3.9
141.06717	2.6
142.21503	1.1
143.04623	71.1
145.02922	2.1
145.06186	4.3
146.02847	1.9
146.04556	5.5
153.06711	3.0
160.00731	15.8
161.02757	1.1
166.09871	2.9
167.04585	4.9
167.08209	3.6
169.06166	1.5
171.07722	2.8
175.01747	1.9
177.03362	4.0
179.04596	14.7
181.06169	3.1
185.05624	2.6
197.05676	3.5
210.08862	13.3
231.04445	1.6
242.07677	1.6
249.05592	2.3
254.05351	1.7
254.07838	20.7
272.08865	56.7
273.09125	4.2
288.06552	10.6
304.05994	4.1
306.07642	100.0
307.07825	5.2
360.06915	1.4
378.07974	21.0
379.07956	1.6
405.75232	1.1
503.32214	2.4
504.04700	1.5
504.33035	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	504.0009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	30.0
60.01717	2.5
61.98830	100.0
69.28366	1.6
69.28788	2.6
98.20651	1.0
123.71756	0.5
151.75896	0.5
174.99245	6.6
175.99677	1.4
178.98569	0.5
201.02557	4.3
202.02727	3.8
203.02266	4.4
203.99989	7.2
204.02756	1.1
217.00298	29.1
218.00620	8.5
219.00690	1.6
219.97748	55.4
220.97823	0.7
220.99767	3.1
257.86954	0.5
294.74921	0.5
320.70621	0.5
346.00900	0.8
359.01410	2.2
360.01691	7.4
361.01324	9.3
361.98636	22.6
362.99503	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	504.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56815	0.7
57.03445	0.9
58.00118	0.6
59.01383	5.2
61.98831	100.0
67.13631	0.6
67.39533	0.6
70.27997	0.8
71.01380	1.4
71.51392	0.8
85.08889	0.6
87.06538	0.7
93.37534	0.8
96.95921	0.7
111.00868	1.1
112.98836	0.8
171.02194	0.7
209.11893	2.2
223.17032	2.1
253.09271	0.8
310.97299	0.9
503.25116	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33764	0.3
51.69569	0.4
56.33266	0.4
59.01381	100.0
59.66421	0.4
60.01704	0.8
61.98831	32.8
69.48982	2.1
69.49402	0.5
71.01387	3.2
72.91919	0.4
73.02949	5.8
78.95936	0.6
83.01402	1.5
85.02946	0.5
89.02454	0.8
101.02457	5.7
106.55678	0.3
113.02435	2.5
119.03537	0.8
131.03534	0.8
143.03496	0.7
149.04514	0.6
161.04590	1.6
339.63141	0.4
408.26416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83318	1.0
52.48637	1.2
61.98820	4.9
66.03489	15.0
68.01411	2.1
68.19548	1.0
71.01363	1.9
71.33246	1.7
73.30772	1.1
82.02518	1.9
82.02991	30.9
83.01376	1.9
93.90733	1.0
94.02978	4.4
96.04553	1.6
110.02479	100.0
111.01981	8.4
111.02761	2.7
120.04597	2.6
122.02493	11.0
136.04056	2.3
138.01961	1.9
138.05594	1.2
140.03552	13.0
152.99608	1.7
153.03065	6.8
164.03540	4.7
182.04561	8.6
240.25890	1.3
277.21747	12.0
279.23459	1.2
307.26596	1.6
319.14270	1.0
453.12439	1.2
460.26840	7.0
503.27612	13.7
504.27783	1.4
523.82886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89273	0.7
55.59402	0.8
66.78242	0.8
69.26270	2.5
69.26679	5.6
78.95902	37.9
91.61002	0.9
96.96963	3.2
129.61403	0.8
152.99586	53.3
153.12849	0.8
171.00647	16.6
225.64937	0.8
231.21162	31.6
232.21654	2.3
245.04294	100.0
246.04732	2.5
275.20148	43.7
276.20581	2.5
336.65857	0.9
503.24170	22.3
504.24368	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	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33764	0.3
51.69569	0.4
56.33266	0.4
59.01381	100.0
59.66421	0.4
60.01704	0.8
61.98831	32.8
69.48982	2.1
69.49402	0.5
71.01387	3.2
72.91919	0.4
73.02949	5.8
78.95936	0.6
83.01402	1.5
85.02946	0.5
89.02454	0.8
101.02457	5.7
106.55678	0.3
113.02435	2.5
119.03537	0.8
131.03534	0.8
143.03496	0.7
149.04514	0.6
161.04590	1.6
339.63141	0.4
408.26416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1775
Annotation	Isoconiferinoside
Peak:m/z	Relative Intensity
55.01876	4.2
57.03440	3.4
58.00587	3.7
59.01382	100.0
61.98838	4.7
69.03455	1.3
71.01385	76.4
71.03036	1.1
71.80918	1.0
72.99310	4.4
73.02948	27.3
75.00859	1.3
83.01387	13.0
85.02950	26.5
86.03307	1.2
87.00875	12.0
89.02450	48.5
95.01408	6.0
96.96970	2.4
97.02966	2.5
99.00902	5.0
101.02448	63.4
102.02807	2.0
111.00894	1.4
113.02451	41.7
114.02786	1.6
119.03525	23.0
119.05020	30.5
121.02855	1.4
125.02472	5.4
129.01862	1.1
131.03529	12.6
133.02954	6.0
134.03717	1.2
134.04709	1.7
135.04536	2.5
137.06093	14.0
143.03508	8.2
146.08299	1.4
149.02527	1.4
149.04546	3.7
153.09225	1.2
159.03044	2.3
161.02461	21.4
161.04546	25.2
174.01703	4.9
179.03404	2.3
179.05611	27.3
179.07175	1.6
195.61044	1.3
201.82448	1.1
202.21631	1.1
218.06995	1.1
221.04478	2.1
221.06648	38.0
221.11766	1.8
255.02998	1.4
263.07758	6.8
272.40533	1.2
278.99988	2.2
281.10303	27.5
299.11331	15.9
341.12537	20.3
443.15393	8.8
461.16660	43.0
461.23178	2.2
462.17072	4.2
503.17761	48.3
504.17978	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	503.1619
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
51.39677	0.5
55.01888	1.2
55.92542	0.5
57.03450	2.3
57.82705	0.5
58.00586	4.1
59.01380	90.1
60.01712	1.5
69.03462	1.5
71.01384	95.3
71.13226	1.4
72.01709	1.0
72.99313	5.0
73.02953	5.9
75.00872	1.8
81.03483	0.6
83.01389	4.0
85.02952	17.6
86.00133	0.5
87.00877	15.3
89.02446	100.0
90.02793	1.5
94.82388	0.6
95.01385	5.1
97.02956	2.4
99.00891	2.4
101.02444	42.9
102.02801	1.0
107.03472	1.1
109.10055	0.5
111.00880	1.6
113.02450	42.2
114.01817	0.5
114.02703	0.7
115.04035	0.9
117.01966	0.7
119.03510	16.9
125.02439	4.6
129.01938	3.4
131.03505	6.2
133.83125	0.6
141.01964	0.9
143.03506	13.7
149.04576	3.7
161.04573	14.8
173.04579	1.1
179.05611	61.4
180.05956	1.7
221.06673	17.7
251.07706	1.7
263.07675	1.0
281.08823	2.2
322.52130	0.6
323.09821	17.4
324.10297	1.1
337.35001	0.5
341.10947	6.0
379.72253	0.6
503.16174	52.8
504.16483	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	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.1
69.34445	0.9
69.34871	2.0
69.38834	0.3
71.01382	5.5
73.02958	0.9
74.14919	0.4
85.02962	0.7
85.94915	0.3
87.00892	0.8
89.02457	4.3
95.01410	0.4
99.00902	0.4
101.02442	3.7
113.02465	2.0
117.03490	0.8
119.03497	1.6
119.66925	0.3
131.03506	0.5
132.02132	1.9
133.02959	24.8
134.03333	1.5
135.04529	13.7
136.04892	0.4
140.81604	0.3
143.03578	0.5
149.06076	0.9
161.02448	100.0
162.02765	3.9
175.04028	0.7
177.05566	1.2
179.03500	30.3
179.05531	2.1
180.03809	1.4
182.15691	0.3
203.03503	4.1
221.04581	1.1
221.06711	1.0
233.04642	0.5
323.07626	1.0
341.08737	5.1
341.12497	0.6
383.09744	1.2
413.10641	0.3
443.12021	1.6
503.14081	12.0
503.21677	0.7
504.14227	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	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91764	0.3
57.03436	0.3
58.00588	0.6
59.01380	5.0
61.98827	0.8
70.31114	0.5
70.31484	0.5
71.01383	5.2
71.09518	0.3
72.99323	0.6
73.02940	0.8
75.42068	0.2
78.95888	0.4
83.01392	0.4
85.02951	1.7
87.00892	1.2
89.02446	4.4
95.01387	0.3
96.96001	0.3
96.96983	0.4
99.00896	0.4
101.02452	3.3
105.03460	0.4
111.00866	0.3
113.02456	3.1
117.03464	0.6
119.03510	1.1
119.05045	0.3
127.05115	0.4
128.03551	0.6
131.03506	0.9
132.02167	1.6
133.02962	27.1
134.03337	0.9
135.04532	3.4
143.03477	0.4
145.02928	0.3
149.06039	0.3
160.01675	0.4
161.02448	100.0
162.02771	4.7
163.04027	0.3
166.08829	0.3
175.04028	0.4
177.05592	0.4
179.03517	4.1
179.05608	2.6
180.03918	0.3
184.84627	0.2
188.58261	0.3
203.03456	1.9
206.49281	0.2
221.04510	0.8
221.06686	1.5
263.07794	0.7
281.06717	0.7
281.13940	0.4
323.07730	3.0
324.64297	0.3
341.08868	1.4
349.56525	0.2
383.09784	3.9
485.12955	1.1
503.13727	2.6
504.16058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1616
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
55.01875	1.3
56.05546	0.3
56.70269	0.3
56.99820	0.3
57.03444	2.0
58.00596	4.6
59.01379	83.1
60.01708	1.0
67.01892	0.3
69.03443	1.5
71.01382	93.7
71.59805	0.3
72.01725	1.7
72.99306	4.7
73.02952	5.7
75.00871	2.5
75.24813	0.3
81.03439	0.7
81.08928	0.3
83.01381	3.7
85.02953	17.0
87.00877	13.6
87.01421	0.5
89.00686	1.6
89.02444	100.0
90.02779	1.0
95.01392	5.7
96.95988	0.3
96.96990	0.4
97.02950	3.1
99.00872	2.6
99.04557	0.5
101.02443	44.9
102.02775	0.8
107.03509	0.5
109.02881	0.3
111.00884	1.6
113.02449	43.5
114.02789	0.9
115.03996	0.9
119.03503	17.4
125.02451	4.0
126.66782	0.3
128.03523	0.4
129.01942	5.0
129.02827	0.5
131.03510	5.2
137.02516	0.4
141.01964	0.7
143.03503	12.5
144.03812	0.4
149.04536	4.2
155.03432	0.5
159.03041	0.7
160.06099	0.4
161.04556	16.6
162.04839	0.6
164.76974	0.3
173.04564	1.1
176.03912	0.5
177.16087	0.3
178.05357	0.4
179.05612	60.3
180.05930	1.8
184.01842	0.3
221.06664	17.4
222.06998	0.8
233.06712	0.8
251.07738	0.9
263.07617	0.5
281.08789	2.7
323.09811	17.9
324.10196	1.1
341.06699	0.6
341.10831	7.0
342.11279	0.3
383.12088	0.3
489.89499	0.3
503.16165	56.6
504.16510	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	502.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.1
59.01379	1.0
59.98543	0.1
61.98815	0.1
62.96409	0.2
65.79408	0.1
70.74464	0.1
70.74775	0.1
71.01379	0.3
75.99485	0.1
78.95904	25.4
83.05021	0.2
92.01871	0.1
96.96962	0.4
97.06570	0.1
104.97499	0.1
113.06094	0.1
117.87084	0.1
122.98537	0.1
127.07647	0.2
134.98528	0.2
141.09178	0.1
150.98106	0.1
152.99590	2.9
168.04308	4.0
171.00641	0.1
194.05833	0.3
205.19510	0.1
224.06920	11.4
225.07234	0.3
231.21246	0.1
233.15607	0.1
233.22726	0.4
234.23209	0.1
236.53981	0.1
241.17101	0.1
242.07977	2.7
243.08279	0.1
245.04233	0.3
259.20615	0.4
275.20117	0.6
277.21707	100.0
278.22037	7.5
334.58801	0.1
340.07007	0.1
352.85287	0.1
413.20959	0.2
490.64859	0.1
502.29382	24.7
503.22345	0.1
503.29718	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	502.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57471	0.1
59.01379	1.0
62.76902	0.1
69.69519	0.2
69.69929	0.5
71.01382	0.2
78.95903	7.1
81.02759	0.1
83.05013	0.2
98.20636	0.1
99.33957	0.1
104.69847	0.1
127.07654	0.2
152.99557	0.7
168.04308	1.8
224.06918	1.1
233.22688	0.2
242.07988	3.3
243.08366	0.2
259.20651	0.4
275.20190	0.4
277.21704	100.0
278.22055	8.1
297.86075	0.1
369.80908	0.1
502.29367	7.2
503.29816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
69.34252	0.5
69.34654	1.6
71.01387	4.5
73.02951	1.0
83.01389	0.4
85.02941	1.6
86.80107	0.3
87.00876	0.8
88.01313	0.3
89.02458	2.8
95.01406	0.4
99.00868	0.2
101.02449	2.4
113.02453	2.8
117.03535	0.4
119.03493	1.2
123.04478	0.3
131.03525	0.4
132.02200	1.6
133.02960	24.0
134.03307	0.8
135.04527	3.4
143.03476	0.7
149.06018	0.3
161.02448	100.0
162.02774	4.4
177.05569	0.4
179.03525	4.8
179.05525	1.8
203.03554	1.7
221.04533	0.9
221.06693	2.2
233.04539	0.3
263.07706	0.9
281.06641	0.7
294.16452	0.2
323.07767	3.0
324.08533	0.3
341.08795	1.1
378.70145	0.2
383.09848	3.7
461.48077	0.3
485.13052	0.7
503.13947	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	502.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94477	0.4
59.01384	3.6
61.98834	100.0
64.04627	0.4
64.95309	0.4
67.53108	0.4
69.25867	0.6
69.78063	0.4
71.01395	0.9
71.61162	0.6
73.01179	0.9
74.64118	0.5
79.93980	0.5
85.02992	0.5
89.02449	0.5
89.45864	0.4
94.56211	0.5
101.02481	0.7
101.05241	0.4
104.98399	0.5
113.02462	0.7
174.01703	0.5
430.59903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17750	0.4
55.57015	0.5
59.01376	3.6
59.36370	0.4
61.98830	100.0
63.94441	0.4
69.37147	3.7
71.01383	1.4
73.01199	0.7
89.02447	0.8
91.99277	0.5
98.19807	0.9
101.02483	0.5
113.02433	0.9
113.03722	0.4
174.01678	0.6
175.02547	0.6
240.93837	0.5
281.76352	0.5
355.34900	0.5
431.91998	0.5
501.31259	0.8
505.81366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31951	0.3
57.03469	0.3
59.01376	2.5
61.98834	100.0
69.66299	2.2
71.01384	1.3
74.02453	0.4
83.64721	0.3
85.02979	0.6
87.00897	0.6
89.02469	0.8
97.68926	0.3
99.00902	0.3
101.02467	0.6
104.98399	0.4
106.04411	0.3
113.02462	0.8
117.03418	0.3
119.05054	1.1
124.93508	0.3
125.47299	0.3
128.03540	0.8
134.06125	0.8
143.04608	0.5
145.02948	1.2
151.47772	0.4
163.04054	1.4
164.04364	0.6
175.03970	0.3
177.05626	0.5
178.05180	0.8
205.05092	0.6
206.82327	0.3
235.06166	0.6
255.03201	0.5
256.03430	0.4
265.07187	0.9
272.09195	0.4
284.03226	0.6
306.07736	0.5
377.58972	0.4
398.59650	0.5
475.90002	0.3
503.25552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60566	0.4
54.09796	0.4
58.00628	0.4
59.01385	9.0
61.14905	0.4
61.98832	1.2
71.01382	8.5
73.01173	100.0
74.01133	0.5
74.01521	1.3
77.97772	0.4
78.95893	0.7
83.01401	0.7
85.02961	0.9
87.00890	1.4
89.02442	10.6
92.41845	0.4
95.01399	0.5
96.00922	0.6
96.96014	0.6
96.96951	0.6
101.02446	5.6
113.02439	3.6
113.03686	0.5
119.03513	3.8
127.05138	0.5
128.03540	1.2
133.03018	0.4
143.03487	1.0
145.68613	0.4
149.14093	0.5
160.04382	22.4
161.02455	1.3
161.04617	3.0
165.51260	0.5
168.55576	0.4
179.05614	8.0
200.60277	0.5
221.06818	0.6
315.27567	0.4
341.10889	27.2
342.11270	1.4
359.35925	0.6
503.15854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11982	0.3
57.03436	0.9
59.01385	2.4
61.98826	0.8
69.29316	3.5
69.89940	0.3
70.91231	0.3
71.01375	1.8
73.02959	0.5
74.02458	0.6
80.47971	0.3
85.49821	0.3
89.02448	1.2
93.42698	0.3
96.87000	0.3
98.20708	0.4
99.04483	0.5
99.92583	1.2
101.02451	1.2
107.04218	0.3
113.02460	0.8
116.07173	0.5
116.92062	0.6
116.92868	10.5
119.03499	0.6
128.03539	0.9
129.10362	0.6
130.08723	1.3
135.04462	0.3
143.11942	0.8
145.03011	0.6
186.12436	0.5
200.14011	1.6
206.12486	0.3
206.40858	0.3
209.05977	0.3
211.07642	0.8
221.06076	0.5
223.07703	0.5
224.04771	0.3
225.05568	0.9
227.03616	0.6
236.77660	0.4
237.05508	0.7
239.07141	3.6
240.07483	0.5
249.05576	1.0
252.04254	0.8
253.05080	1.5
254.05818	0.5
254.08043	1.5
255.03139	0.5
264.06787	0.6
265.05011	0.4
266.05725	0.6
266.08316	0.4
267.06613	7.0
268.06714	1.1
280.03601	0.4
281.07132	0.7
282.07587	8.5
283.08121	0.4
291.05347	0.7
292.06207	1.4
293.07132	0.4
294.04218	0.6
294.07690	0.9
296.09445	0.5
297.10345	1.1
309.06445	3.0
310.07190	19.2
311.07498	1.5
324.08780	11.1
324.11975	0.2
325.09531	33.9
326.09781	2.4
340.11884	100.0
341.12201	10.2
413.60001	0.4
428.25162	1.1
458.26047	3.1
502.16870	1.7
502.27972	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	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42487	0.5
55.37726	0.5
59.01374	0.8
61.98833	100.0
63.62996	0.5
70.37669	2.1
71.40416	0.6
103.45643	0.6
107.32271	0.6
202.15047	0.5
353.75461	0.6
506.62006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	98.1
58.00595	2.2
58.02974	1.6
58.03789	2.1
59.01382	100.0
61.98830	5.7
66.14736	1.2
69.03443	2.0
70.96168	3.1
71.01383	63.5
72.99306	4.3
73.02948	34.7
74.02106	1.4
74.02471	7.5
75.00863	5.3
76.88007	1.2
78.95918	2.1
81.03469	3.9
83.01403	10.6
85.02953	17.7
87.00882	3.7
89.02473	10.7
95.01377	4.8
96.96958	1.7
97.02980	4.1
99.00883	5.8
99.04521	83.4
99.05609	4.2
100.04852	1.9
101.02449	68.1
102.02768	1.5
103.00315	1.5
104.98395	1.5
113.02454	37.6
115.00328	3.3
115.92070	1.6
119.03497	5.9
123.04509	4.4
125.02448	50.8
126.02788	1.4
128.03534	12.0
129.01967	2.1
130.08650	2.4
131.03516	3.9
133.02989	1.4
134.03705	3.3
135.04517	3.8
137.07123	1.8
141.05640	1.8
143.03497	12.5
143.04619	11.7
149.04575	5.7
149.06120	2.1
155.03505	3.4
160.01674	8.5
161.02380	4.6
161.04558	25.8
164.43822	1.8
167.03458	1.6
169.06219	1.9
175.02423	4.5
175.04027	5.5
177.01964	1.5
177.03374	27.2
179.03427	1.7
179.05548	3.7
181.06207	4.4
193.05048	3.5
203.05630	9.7
205.12314	2.0
215.04961	2.1
221.06625	6.0
223.06161	1.6
227.03528	7.4
235.75818	1.3
255.02988	17.2
263.07565	1.7
283.02478	4.9
284.03314	17.9
285.03888	5.1
385.18848	2.7
413.09677	9.3
413.60086	3.9
501.09650	1.7
501.25995	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	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62875	0.5
58.27764	0.5
59.01380	100.0
60.01700	0.9
61.98836	3.6
69.73630	3.0
71.01380	2.9
73.02956	3.4
83.01404	0.7
87.00904	0.4
89.00672	0.5
89.02464	1.4
101.02441	4.3
105.86666	0.4
108.92702	0.4
111.00945	0.6
113.02454	1.9
119.03516	0.7
149.04515	0.5
161.04611	1.1
199.06624	0.6
242.15729	0.4
399.20377	0.6
441.21515	0.8
516.52844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98835	24.5
69.03494	0.8
70.82526	1.4
71.01393	6.0
73.01185	1.1
73.02962	2.9
73.09222	0.7
75.00880	3.1
79.93949	1.2
83.05051	1.1
85.02960	2.5
87.00893	1.3
88.98797	5.0
89.02461	2.9
99.00882	1.0
99.14722	0.6
101.02467	4.3
104.98425	0.9
112.98810	1.7
113.02494	2.6
119.03542	1.7
124.02296	1.7
125.03071	0.8
142.99921	1.4
160.01611	0.9
161.04581	1.3
173.00984	1.7
175.04141	0.9
215.05617	1.4
235.17166	1.9
246.02956	0.7
250.36557	0.7
344.95743	0.8
378.64398	0.7
393.55746	0.7
501.30832	1.6
502.08844	2.7
502.27066	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	501.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	94.2
59.76516	0.7
61.45916	0.9
67.13155	0.8
71.01382	4.1
71.61426	0.9
71.61846	1.3
80.54870	0.9
85.02949	1.5
85.97846	0.8
89.02434	2.9
91.15624	0.8
93.19972	0.8
95.01384	1.0
101.02422	2.7
113.02432	3.9
119.03510	1.9
130.67023	0.9
133.81654	0.8
152.99586	1.6
161.04584	1.7
279.23264	100.0
280.23532	9.5
293.24786	4.2
300.83313	1.0
321.24255	2.4
420.34103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98729	0.4
59.01379	72.8
59.98075	0.4
61.98856	0.6
69.99020	2.1
90.97134	0.9
109.77502	0.4
118.96696	0.6
132.98196	1.6
148.02876	0.4
152.01888	0.4
157.03546	2.9
159.01520	1.3
174.99245	21.4
188.34126	0.5
198.92003	0.4
201.02544	31.2
202.02658	2.8
205.04013	0.5
217.00288	100.0
218.00691	2.9
229.57927	0.4
343.03644	2.9
344.03723	0.6
359.01447	65.2
360.01703	7.2
460.66635	0.5
471.90860	0.4
483.61044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39196	2.3
59.01379	26.0
61.98831	100.0
68.18752	2.4
69.53138	7.3
69.53551	11.3
71.01372	7.5
73.01158	10.4
75.00861	5.3
79.95734	2.4
84.85578	2.3
85.02936	4.5
87.00877	3.9
89.02437	3.9
98.19915	6.0
101.02467	5.9
104.98379	4.9
111.00876	2.5
113.02410	3.0
119.03468	2.1
142.99890	2.9
162.21242	2.5
173.00978	3.4
174.01694	34.1
175.02470	3.2
229.36481	2.5
245.01237	3.5
278.99957	11.4
321.16620	2.9
363.35437	2.6
398.62579	2.5
439.52280	2.6
449.22809	2.8
501.30099	8.0
523.62726	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	501.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53550	0.3
58.02964	0.7
59.01380	100.0
60.01709	0.7
61.41840	0.4
61.98826	4.2
71.01383	3.7
71.15768	0.4
71.60974	0.5
73.02945	3.6
74.02495	0.4
78.96814	0.5
83.01394	1.1
85.02950	0.8
86.02501	0.5
87.00900	0.5
88.98841	0.7
89.02438	1.0
96.96035	0.6
101.02451	4.5
104.98415	0.6
111.00918	1.5
113.02408	1.9
119.03534	0.7
128.03502	1.9
129.03931	0.8
142.99979	0.5
143.03583	0.8
143.04646	2.3
146.04675	0.4
149.04562	0.5
161.04576	0.6
173.00934	0.6
174.01688	2.0
179.04587	0.5
252.18050	0.4
254.07884	0.8
265.11530	0.4
272.08936	1.1
273.09320	0.5
306.07767	0.6
399.20422	0.7
416.25244	0.5
441.21460	1.5
501.11032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34593	0.5
55.89450	0.4
57.03452	1.5
59.01383	2.5
61.98837	1.1
70.00463	2.7
71.01386	8.2
73.80061	0.5
78.95884	0.7
82.03003	0.4
93.03445	0.8
96.96008	1.7
96.96954	0.9
97.28715	0.6
98.02504	0.5
98.20554	0.6
99.04521	1.2
101.02449	1.6
101.63062	0.5
113.02435	0.9
115.00383	6.8
115.92087	0.5
121.02959	2.0
123.04559	0.9
125.02428	0.7
127.05111	0.5
128.03529	2.2
130.08746	0.6
133.02989	0.9
134.03677	0.9
135.04541	4.4
146.04607	0.7
149.02451	22.6
150.02756	0.5
151.04005	0.7
152.01141	4.5
153.01677	0.5
155.11874	0.6
161.04695	0.5
163.03999	4.0
164.04799	20.7
165.01918	1.0
165.05150	1.0
167.03459	0.9
169.05064	2.8
179.05695	0.7
179.07158	8.9
193.01411	12.4
208.03766	34.4
209.04073	2.1
223.06116	100.0
224.06488	5.3
243.14751	0.5
354.13364	0.6
385.11383	22.7
386.11768	1.9
392.74246	0.5
457.24686	0.8
484.23779	0.7
501.26547	2.6
502.25415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41217	0.7
51.10585	0.8
59.01381	100.0
60.01696	1.1
61.98830	1.2
69.35042	7.6
70.96264	0.8
71.01371	6.1
73.02954	2.0
80.57852	0.7
83.01347	0.8
85.02950	2.1
89.02458	1.9
95.01413	1.6
98.20634	1.7
101.02442	3.3
113.02461	5.9
119.03547	1.3
128.54036	0.7
157.05502	0.9
161.04529	1.9
222.47795	0.8
271.22656	2.8
273.22153	1.3
277.21716	94.9
278.22031	8.0
291.23251	10.4
301.21890	1.0
319.22900	3.9
336.64291	0.9
349.23679	1.4
398.52002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	12.6
59.01366	2.8
61.98842	5.4
63.94458	6.4
66.03472	1.1
68.05043	0.8
69.42590	5.9
69.43003	2.3
70.02987	1.3
72.00913	3.7
72.10853	0.9
73.01173	2.8
74.02473	28.1
78.96818	35.5
81.04563	1.1
82.02977	3.4
84.04533	2.0
86.02481	15.2
86.06097	1.7
87.05621	5.1
88.04041	2.1
96.04530	1.2
96.12387	0.9
97.04076	3.1
99.05642	23.4
100.00407	2.1
101.07207	4.3
102.05625	4.6
104.98364	1.6
109.04083	3.3
109.07729	1.3
110.06118	0.9
111.05624	2.6
112.04043	1.9
114.43684	0.9
121.04109	0.9
123.05649	2.1
124.04041	2.0
125.03571	3.8
127.05147	5.0
127.08744	1.6
127.63222	1.0
128.03542	86.1
129.03844	2.5
130.05098	1.6
135.05672	6.9
137.07175	2.0
139.43330	1.0
141.06665	3.4
143.04626	100.0
144.04958	2.6
145.06184	5.3
146.04578	9.6
153.06705	7.0
160.00734	2.9
166.09778	4.4
167.04620	5.1
167.08241	5.8
170.03380	1.6
171.04057	2.7
171.07733	10.6
177.03383	6.7
179.04611	27.6
181.06168	2.8
184.10994	1.1
185.05582	5.3
192.07791	2.0
197.05664	5.1
199.07207	4.7
201.05141	1.0
207.91664	1.0
210.08853	25.9
211.09267	1.4
217.08316	1.1
228.09914	2.4
244.09268	1.8
254.07819	49.9
255.08150	2.6
272.08878	74.7
273.09198	3.5
288.06549	10.6
305.08594	2.8
306.07648	27.3
307.08170	1.3
482.09128	4.4
500.10193	25.0
501.10181	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	500.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02736	1.0
58.02979	12.4
59.01365	2.5
61.98832	14.1
63.94471	5.4
71.01395	1.5
71.32721	1.8
72.00906	3.7
73.01180	3.8
74.02475	27.1
75.31091	1.1
78.96815	34.6
81.04545	1.4
82.02979	3.3
84.04540	1.4
85.04073	1.0
86.02477	14.8
86.06131	1.2
87.05636	4.3
88.04041	2.9
90.67335	1.1
97.04076	3.3
99.05649	20.9
100.00394	3.8
101.02509	1.0
101.07186	4.4
102.05605	4.6
104.98372	3.3
107.06163	1.3
109.04057	5.1
109.07705	1.1
111.05657	2.1
112.04036	2.8
113.03522	1.4
120.01245	1.1
123.05659	2.3
125.03557	3.1
127.05124	5.3
127.08823	1.4
128.03542	84.3
129.03854	1.9
131.04596	1.0
135.05649	6.5
137.07170	1.5
141.06667	4.4
143.04626	100.0
145.06174	6.0
146.04607	11.0
149.07211	1.3
153.06696	5.7
155.08189	1.9
158.25052	0.9
160.00711	6.6
163.91125	1.1
164.08214	1.0
166.09827	4.2
167.04620	4.2
167.08231	5.3
170.03271	1.0
171.04083	3.8
171.07762	10.0
174.01634	2.1
176.28790	1.1
177.03386	7.4
179.04625	27.3
181.06186	4.0
184.11153	1.2
185.05682	6.1
192.07768	2.7
197.05708	4.7
199.07220	4.1
210.08855	25.3
210.36545	1.0
217.08287	1.6
228.09834	2.9
249.03516	1.5
254.07828	48.3
255.08182	2.4
267.78476	1.0
272.08881	73.2
273.09232	4.3
274.49362	1.0
288.06696	12.2
292.35437	1.1
305.08658	1.9
306.07657	34.4
307.07993	1.7
330.65643	1.3
356.03009	1.1
358.77863	1.1
371.05847	1.8
402.47028	1.0
452.09970	1.7
482.09000	4.2
497.85718	1.1
500.10193	27.3
501.10263	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25930	1.7
58.02974	7.5
62.57749	2.1
70.08720	1.5
70.14421	6.0
71.01372	3.0
74.00691	3.4
74.02464	20.7
75.48335	1.6
77.75124	1.6
77.78893	1.6
81.04548	1.4
82.02981	4.1
85.04070	2.2
86.02466	12.2
87.05640	6.0
89.51708	1.8
90.00219	2.4
97.04079	9.0
99.05668	18.8
100.00393	3.0
101.07194	2.9
102.00201	5.3
102.05595	2.9
104.98425	2.6
105.99670	9.1
107.06165	2.2
109.04069	2.7
112.04066	3.2
113.03604	2.5
116.01823	2.2
117.85259	1.5
120.01252	17.7
123.05634	2.2
125.03583	2.1
127.05137	5.2
128.03539	84.4
135.05638	5.9
141.06718	2.7
143.04622	75.3
144.04907	3.0
145.06155	2.6
146.04564	7.5
151.05132	2.8
153.06674	7.5
160.00732	20.7
166.09875	3.8
167.04605	6.4
167.08255	4.4
169.06203	5.9
170.03282	1.8
171.07898	1.7
175.01778	10.6
177.03368	5.0
179.04617	22.6
181.06192	3.1
185.03983	1.7
185.05685	5.0
197.05605	6.7
210.08806	16.6
242.07852	1.8
254.07814	31.9
272.08890	55.0
273.09180	1.7
286.04956	2.9
288.06586	9.7
304.06091	55.7
305.06366	4.7
306.07642	100.0
307.07962	6.8
338.04932	2.7
370.05893	2.1
378.07990	11.4
403.80264	1.9
499.10010	25.8
517.89868	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01384	83.2
60.01704	1.7
65.08036	1.5
68.71700	1.4
69.63415	5.6
69.63847	4.3
76.28879	1.4
81.03471	3.1
85.02954	2.4
94.23964	1.4
98.19944	3.4
99.04527	85.6
100.04860	2.9
101.02450	14.8
125.02461	39.2
145.59753	1.5
148.51357	1.5
155.01172	1.7
161.04489	2.1
199.01042	1.8
277.35074	1.7
445.64096	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	499.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12709	2.1
59.01379	63.6
71.51525	3.4
77.60486	1.8
78.95908	9.0
109.16762	2.0
152.99632	11.2
171.00578	4.3
210.48090	1.9
245.04242	7.2
271.22769	100.0
272.23010	7.8
422.46637	2.1
499.26755	27.4
500.26859	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	498.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01381	1.8
61.98830	100.0
69.46146	2.3
71.01393	0.9
82.19929	0.3
85.02969	0.5
87.00874	0.3
91.87331	0.3
94.30022	0.3
98.19820	0.5
99.04526	0.9
100.13647	0.3
101.02466	0.8
111.00932	0.4
125.02431	0.4
165.99791	0.3
274.15457	0.3
320.35208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51244	0.4
59.01374	0.9
61.98833	100.0
67.70312	0.3
69.91595	1.8
76.42735	0.3
80.34785	0.3
109.36293	0.4
125.93421	0.3
132.99417	0.3
170.34050	0.3
292.08749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84409	1.3
57.21359	1.5
58.02975	8.0
59.01376	1.9
60.80960	1.2
69.67190	3.3
69.67598	5.5
71.01368	1.9
72.00926	1.4
74.00706	3.6
74.02472	20.4
81.04604	1.9
82.02986	3.5
86.02487	8.2
86.79028	1.3
87.05630	4.5
90.00185	1.6
96.95994	2.0
97.04082	4.5
98.19905	1.4
99.05640	14.9
100.00402	2.2
101.07211	2.1
102.05563	1.7
104.98363	1.6
105.99707	2.9
109.04118	1.8
109.07703	1.3
111.05648	2.6
112.04017	2.6
116.01807	1.5
120.01263	9.3
123.05605	1.3
124.04051	1.6
125.03574	1.7
127.05133	3.5
127.08752	1.8
128.03546	60.4
135.05630	4.4
137.07188	1.4
141.06721	4.6
143.04623	76.4
144.04997	2.3
145.06212	3.5
146.04578	7.3
151.05072	1.5
151.98439	1.9
153.06682	6.0
160.00729	17.4
166.09808	2.2
167.04605	4.4
167.08235	2.1
169.06134	1.8
171.07726	2.6
175.01855	2.7
177.03362	5.0
179.04611	18.7
181.06239	2.1
185.05638	2.6
187.93492	1.4
192.07809	2.0
197.05673	3.5
198.23441	1.4
209.97820	1.6
210.08856	15.5
228.09819	1.5
242.07591	1.7
254.05295	2.7
254.07831	25.1
270.93912	1.4
272.08878	46.9
273.09229	2.7
288.06610	7.5
304.06073	20.2
306.07657	100.0
307.07913	5.5
378.07959	12.6
481.08777	2.5
499.09869	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	497.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84932	2.3
55.01878	4.1
57.03437	7.6
59.01090	4.6
59.01381	71.6
61.98826	14.6
64.95230	3.0
68.99802	6.2
70.99567	3.3
71.01387	46.1
71.61942	2.9
72.99292	2.7
73.01160	6.5
73.02956	21.4
74.01479	2.6
74.02488	4.0
77.76916	2.1
79.03238	2.1
83.01396	16.8
85.02953	20.5
87.00864	5.0
89.00652	6.0
89.02444	7.1
92.75571	2.2
95.01404	3.8
96.99312	2.4
99.00882	10.1
99.04532	2.5
101.02446	45.8
104.98356	2.6
109.01652	2.6
112.98804	8.9
113.01170	5.0
113.02424	15.3
113.51817	2.6
125.02415	3.1
127.02184	3.0
128.03540	8.2
129.03880	3.0
142.99922	21.2
143.03613	2.5
143.04619	10.5
158.99448	6.3
159.02914	2.8
161.04558	12.5
173.00932	8.6
173.03288	3.5
174.01553	3.2
249.00752	9.2
254.07751	3.6
254.15500	3.4
273.08832	3.2
291.18127	73.9
292.18399	4.4
322.98834	2.5
437.23923	100.0
438.24063	14.3
498.25098	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.5
57.03447	2.9
58.00588	1.2
59.01381	74.9
61.98829	2.4
65.61791	0.9
69.03471	1.6
69.44685	7.8
70.04994	1.0
71.01386	59.5
72.99325	2.2
73.02948	25.6
81.03455	1.5
82.19495	1.0
83.01386	13.8
85.02956	29.6
87.00878	2.5
89.02442	8.3
95.01395	4.2
97.02949	3.5
99.00880	9.1
99.04556	1.5
101.02448	47.5
101.37266	1.0
103.03995	7.3
112.98788	1.1
113.02458	21.7
119.03479	3.4
125.02452	7.6
127.11332	1.2
142.99858	1.4
143.03490	3.6
145.05067	1.5
159.03040	4.9
161.04564	24.4
162.04909	1.3
163.06183	5.7
174.01718	2.7
205.07219	1.3
211.83595	1.1
219.03383	1.7
247.08212	3.0
255.02940	1.3
285.03928	1.5
289.16574	55.3
290.16965	4.4
307.10266	2.4
435.22351	100.0
436.22595	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	497.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.3
57.03428	5.0
59.01384	69.6
61.98834	19.8
64.95243	2.4
65.07337	2.0
71.01380	37.2
71.61253	3.0
73.01183	4.9
73.02946	21.6
75.00898	2.7
78.95889	3.2
78.96831	5.4
79.95748	4.3
80.61884	2.2
83.01381	19.3
85.02957	25.2
87.00883	9.0
89.02444	4.5
93.03479	2.7
96.36921	2.4
96.96979	3.6
99.00901	9.8
101.02444	44.1
102.96783	3.2
113.02477	14.5
125.02441	20.1
128.03539	7.6
143.03554	2.7
143.04605	9.1
159.02975	4.5
161.04558	11.8
173.00879	8.2
174.01680	8.3
210.08739	3.1
254.07706	3.6
272.08865	6.9
291.18124	71.9
292.18591	5.1
345.38736	2.5
345.50876	2.6
437.23907	100.0
438.24490	11.9
497.31625	3.5
498.24677	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	494.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28373	2.4
54.99436	2.5
57.15169	2.6
61.98835	8.0
66.49574	2.6
67.05928	2.5
70.52925	5.0
70.53314	7.6
73.63029	2.5
78.95904	51.3
85.29081	2.4
89.04237	3.0
90.47568	2.5
93.06988	2.3
96.96968	6.2
112.48959	2.5
114.26761	2.7
152.99583	100.0
165.50363	2.7
171.00659	5.0
277.31787	2.4
431.22092	29.1
470.54254	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	495.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66905	1.3
57.03450	71.4
58.03788	1.6
59.01381	100.0
60.01701	1.8
61.98835	4.5
63.63464	1.4
69.58540	9.2
71.01369	8.2
73.02943	2.8
81.03474	2.4
83.01410	1.7
85.02959	6.2
89.02438	3.5
98.20695	2.4
99.00871	2.8
99.04520	71.0
101.02451	16.0
113.02438	5.7
119.46191	1.3
121.02962	1.9
125.02444	39.2
127.22950	1.4
127.29915	1.6
139.00446	1.6
143.03510	1.7
149.04553	3.2
161.04518	4.4
177.07945	1.6
197.60991	1.6
214.49380	1.5
220.59676	1.6
221.34119	1.4
247.11755	2.0
255.02928	2.2
265.12793	8.6
271.02527	1.7
285.04004	2.6
300.02539	1.9
307.14041	14.9
325.90414	1.6
387.42368	1.8
406.59024	3.4
407.09555	3.4
495.18665	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	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04649	1.4
55.01871	1.3
56.39385	1.2
57.03449	2.8
58.00600	2.9
59.01381	100.0
60.01720	1.5
60.92385	1.4
61.98833	21.2
64.20161	1.5
71.01386	44.5
71.61217	1.6
72.99305	4.6
73.01163	1.2
73.02946	13.4
73.47463	1.2
75.00854	1.5
83.01376	6.6
84.02341	1.2
85.02962	14.2
87.00874	8.7
87.04543	1.4
89.02448	41.9
95.01374	2.6
96.96013	9.5
97.02952	3.2
99.00897	2.5
99.04528	3.1
101.02448	51.3
103.04017	13.8
112.98808	2.8
113.02460	14.4
115.04008	4.1
119.03500	21.8
125.02457	3.7
127.04003	2.1
131.03543	7.2
132.97910	1.3
143.03511	11.8
145.05049	6.4
161.04524	2.5
163.06128	53.0
173.00929	4.4
174.01732	6.8
175.02467	1.9
179.05615	8.9
186.37817	1.3
197.00883	1.8
205.07170	23.1
219.84557	1.5
265.09302	4.9
289.16550	4.4
435.22321	49.2
436.22784	5.1
495.19257	1.6
520.92969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.9747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76199	2.8
59.01389	3.9
61.98832	100.0
67.32201	2.7
135.94789	4.9
161.71782	2.9
199.14847	3.3
244.73564	2.7
307.65894	3.0
420.35214	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	494.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13342	2.2
61.98824	7.3
70.66862	2.0
71.10738	2.0
71.61107	2.4
78.95912	77.6
90.93310	1.9
96.96972	5.9
102.19753	1.9
133.95000	2.0
148.53049	1.9
150.98001	2.5
152.99594	100.0
157.70677	2.1
286.97955	2.1
384.99728	2.5
412.78275	2.7
431.22046	39.1
432.22495	3.8
506.17847	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	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	100.0
58.03787	1.6
59.01380	93.8
61.98830	20.8
69.38257	9.8
69.38682	2.6
71.01370	6.9
72.14836	1.5
73.01183	2.5
73.02920	1.9
73.68183	1.3
75.00845	1.5
81.03453	1.7
82.60158	1.4
85.02937	2.4
89.02469	1.8
99.04516	85.6
100.04839	3.0
101.02437	25.3
101.03411	1.5
102.51556	1.5
104.98389	1.5
113.02473	2.4
125.02444	31.3
126.02803	1.5
131.93758	1.5
143.03535	1.8
161.04573	2.6
173.00940	1.9
174.01614	6.5
188.99246	1.7
208.72414	1.7
263.15161	2.0
286.01263	1.5
305.16071	2.0
349.18530	4.3
354.86151	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	493.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.03448	58.4
58.00584	1.6
59.01380	67.3
61.98833	27.1
64.95236	5.0
69.03456	2.7
71.01385	39.5
71.61587	2.4
72.99310	6.1
73.01162	3.0
73.02947	7.7
75.00875	6.6
77.17358	1.5
78.44270	1.7
81.03459	3.2
83.01395	7.8
85.02950	30.6
87.00884	4.9
88.98782	3.9
89.02447	22.7
95.01372	8.8
97.81098	1.5
99.00890	17.6
99.04520	66.9
100.04840	2.6
101.00665	1.8
101.02443	34.9
105.01950	4.0
108.02171	1.8
109.02928	3.1
111.00870	4.2
111.04516	2.0
112.98817	35.4
113.02452	56.0
115.00391	3.2
117.03481	4.7
119.03524	10.8
120.01243	1.8
120.16725	1.6
121.02998	2.5
123.04542	10.4
125.02442	34.2
125.03311	3.1
126.98598	5.1
128.03506	2.1
129.00145	3.3
129.06718	1.8
130.08720	2.3
131.03510	3.4
132.45741	1.7
133.02966	4.5
141.05583	6.0
142.99864	26.3
143.03506	6.2
145.01451	3.4
145.02939	4.1
149.04546	3.0
151.00446	4.8
161.02477	14.4
161.04539	12.9
163.00366	7.2
163.03928	1.9
173.00919	45.7
174.01697	100.0
175.02325	2.2
175.04037	2.1
178.99870	3.7
179.05577	10.6
181.12355	1.9
183.98424	1.7
201.02138	1.9
206.99330	2.1
211.05978	2.0
217.01723	6.9
221.06734	2.6
227.00153	4.9
227.03525	4.5
228.03748	1.7
243.02835	2.9
245.01283	15.1
247.02840	4.0
255.02942	9.6
271.02426	8.5
278.99957	20.7
284.03250	5.0
285.04059	9.2
299.01956	2.1
300.02649	7.3
317.03024	7.9
406.09119	12.5
425.39597	1.7
463.21768	2.3
493.22714	7.0
493.29965	3.3
502.56598	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
58.03796	1.3
59.01379	84.5
61.98830	3.0
63.67610	0.9
69.65400	7.1
71.01385	7.1
73.02946	1.6
81.03476	3.0
85.02950	3.1
87.26363	1.0
89.02473	1.1
89.47230	0.9
91.63697	1.0
93.14203	1.1
98.20599	2.2
99.00901	1.2
99.04517	79.7
100.04871	2.6
101.02443	18.4
113.02457	1.5
125.02442	27.8
125.03297	1.9
143.03505	2.8
161.04541	2.8
174.01706	2.4
263.15018	1.4
331.24377	1.5
449.08878	1.1
449.61401	1.1
459.04517	1.2
493.23108	1.3
493.30179	11.5
503.80258	1.4
518.22302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	89.5
59.01380	78.5
61.98833	100.0
62.84359	1.8
65.18221	1.8
66.64387	1.6
66.69556	1.6
70.16587	2.0
70.92900	3.7
70.93235	4.2
71.01391	6.7
73.02957	2.3
81.03470	4.3
83.01422	2.6
85.02979	4.2
89.02433	3.4
96.96030	3.2
99.04520	85.9
100.04855	5.4
101.02436	21.0
104.98434	3.4
113.02457	3.0
121.20318	1.8
125.02451	30.3
161.04578	2.7
167.15157	1.9
174.01685	10.9
176.11073	2.3
194.26929	2.4
263.14862	1.9
279.00037	2.1
305.16202	2.7
357.22537	2.0
493.29355	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	493.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50138	1.9
57.03450	94.6
59.01381	99.2
61.98826	8.5
70.43327	4.2
70.43720	6.0
71.01388	12.1
72.72607	2.0
73.02939	5.9
74.13502	1.8
79.95746	3.5
81.03460	3.2
83.01408	2.2
83.44720	1.8
85.02980	2.5
87.00871	10.8
88.98801	5.6
89.02447	5.7
92.94712	2.7
96.96004	4.2
99.04523	100.0
101.02447	23.2
113.02441	5.2
125.02451	43.4
126.53427	1.9
134.76382	1.9
143.03494	3.0
161.04472	2.8
167.03436	2.5
169.05055	2.9
171.01169	2.3
206.56285	2.1
246.32413	2.0
278.17938	1.9
305.12390	3.7
317.02954	2.4
405.17770	2.1
511.45245	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25231	1.2
57.03446	13.1
57.19698	1.2
58.00586	2.0
59.01381	100.0
60.01712	2.6
60.97534	2.6
61.01786	2.4
61.98831	20.4
63.96236	1.6
70.99597	3.0
71.01385	20.3
72.99315	1.6
73.01169	16.2
73.02950	5.9
75.00873	6.8
78.98608	2.4
83.01382	3.5
85.02967	6.6
87.00842	1.6
88.57370	1.2
89.00672	1.7
89.02447	17.8
91.59948	1.2
96.00932	1.7
97.02959	1.2
99.00887	6.3
99.04530	7.9
101.00674	11.0
101.02457	9.6
109.03016	1.7
110.02423	1.3
112.98827	5.3
113.00670	2.1
113.02444	5.4
116.05069	1.8
116.92850	3.7
117.00163	24.0
117.01942	5.6
119.94381	1.1
125.02460	4.0
126.98588	1.6
127.02241	2.4
129.00172	38.5
130.00381	1.4
135.02946	1.4
137.02460	2.9
142.99878	2.8
144.99640	2.8
151.00409	1.5
153.03221	1.5
156.00565	1.3
163.06093	2.7
171.01204	1.8
173.00932	5.7
173.02698	2.7
174.01701	5.5
179.05719	1.8
181.96831	3.2
199.97884	4.0
201.02301	2.9
217.01724	16.2
245.01225	37.3
246.01530	1.7
309.50876	1.2
317.05386	1.6
318.15894	1.5
347.49365	1.4
353.19522	1.3
371.20673	4.5
413.21716	4.7
428.18259	3.2
445.21008	4.0
447.41531	1.3
493.30341	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03450	1.1
57.35415	0.7
59.01371	1.1
64.95252	4.8
70.74326	1.7
71.01382	2.5
73.01202	0.8
73.02962	1.0
78.91260	0.6
79.86915	0.6
83.01408	1.6
85.02940	1.7
97.02990	0.8
99.00880	4.5
101.00675	1.5
101.02450	1.0
111.00876	1.6
112.98820	14.1
123.04524	1.9
126.98638	0.7
137.02396	0.8
141.05600	1.7
142.99861	11.5
144.99606	0.8
145.01477	1.2
157.05051	1.2
171.01329	0.7
173.00925	16.3
174.01701	100.0
175.02054	3.1
183.98396	1.1
207.81335	0.7
217.01767	10.6
240.67902	0.8
245.01262	7.4
279.00046	21.4
280.00443	1.2
344.46609	0.7
454.32318	0.9
493.05042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97530	1.9
62.30058	0.7
62.99073	0.8
63.43491	0.6
63.96243	7.9
67.43013	0.8
69.90862	2.8
70.82306	0.7
72.99297	3.9
76.97020	6.9
79.95741	8.5
80.96493	1.3
87.00892	5.7
89.00703	0.8
89.02462	0.9
107.49101	0.8
111.90986	0.8
125.54533	0.7
131.93102	0.8
131.97578	0.7
132.99658	19.6
133.99902	1.0
149.04527	2.0
150.02313	5.7
151.00711	100.0
151.02676	2.5
152.00999	2.6
159.03322	0.7
183.52798	0.7
187.46684	0.7
255.70383	0.8
516.57385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01372	1.9
61.98819	1.6
64.95242	1.2
68.17210	0.6
69.60709	3.5
69.61117	1.3
71.01369	2.4
72.06895	0.7
73.02983	0.8
75.66947	0.7
79.60373	0.6
83.01377	1.1
90.86805	0.6
96.21190	0.7
99.00883	3.1
99.04547	1.1
101.02451	0.8
111.00880	1.0
112.98818	9.0
124.98800	0.8
142.99872	10.2
145.01427	0.7
151.00729	1.0
173.00914	14.5
174.01691	100.0
175.02020	3.3
197.01312	0.7
226.62459	0.8
245.01186	1.0
250.89366	0.7
264.68231	0.7
273.32001	0.6
278.96921	1.3
279.00015	21.3
280.00229	1.3
408.01755	0.8
493.05032	2.3
503.30853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19946	0.6
53.54858	0.6
55.01867	1.1
57.03446	3.4
59.01379	8.4
61.98823	4.2
64.95251	5.1
68.36711	0.6
68.99824	0.6
69.03473	1.0
69.67238	3.8
71.01382	5.4
72.99304	0.9
73.01178	1.5
73.02943	1.7
75.00859	0.8
78.18942	0.7
81.03461	0.7
83.01380	2.6
85.02952	5.5
87.00871	1.8
89.02435	2.1
93.03488	0.6
95.01405	1.8
95.05054	0.9
96.96010	2.0
98.19965	1.4
99.00882	5.6
99.04506	2.6
101.00662	1.3
101.02440	2.2
111.00867	1.5
112.98811	11.5
113.02450	6.0
115.00358	1.3
117.03467	1.1
121.36404	0.6
123.04519	5.8
124.98806	1.1
125.02479	1.1
126.98588	0.7
127.04026	1.6
129.00166	2.6
129.01959	0.9
133.02898	1.2
134.03716	1.6
137.02386	1.0
141.00195	0.8
141.05573	4.8
142.99860	11.6
144.99591	1.3
145.01437	1.2
145.02937	1.6
150.95790	0.6
157.05075	2.1
161.02426	2.5
166.69005	0.6
167.03488	0.8
173.00922	16.3
174.01689	100.0
175.02040	3.2
183.98370	1.5
193.05006	2.3
198.74539	0.7
215.11942	0.6
217.01782	5.2
223.21912	0.6
227.03461	2.0
245.01219	14.1
247.02699	0.8
255.03006	3.6
271.02469	2.9
278.99994	13.6
279.02924	0.9
284.03278	2.4
285.04080	2.6
300.02756	2.7
328.90982	0.8
331.12073	1.8
406.09158	6.1
465.04999	1.9
492.24771	1.1
493.04950	1.1
493.16943	1.6
493.23483	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	492.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01379	3.2
60.01685	0.4
61.98830	100.0
69.25934	3.7
69.27763	0.3
71.01381	1.3
85.02968	0.6
89.02461	0.5
99.00858	0.3
99.04507	0.5
101.02467	1.1
111.35480	0.4
112.98830	1.2
120.01282	0.5
128.03586	0.6
142.99867	0.8
153.71809	0.3
158.73346	0.4
163.06174	0.4
173.00974	1.0
174.01689	3.2
186.94487	0.4
192.04356	0.5
203.19026	0.4
235.31610	0.3
235.42258	0.4
245.01344	0.5
278.99863	0.6
320.82733	0.4
492.24994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.9
61.98836	6.6
70.74841	3.7
73.58303	1.2
78.95907	32.0
91.34040	1.1
113.09723	2.5
122.00066	1.9
130.90405	1.3
137.26718	1.2
137.27834	1.5
140.01183	8.7
143.41655	1.3
152.99590	3.4
161.47273	1.1
171.10242	2.4
179.14316	1.2
195.13910	16.6
196.03766	13.1
214.04906	3.6
222.68758	1.5
257.85135	1.3
277.21692	17.1
278.22119	2.5
295.22778	100.0
296.23190	7.4
492.27280	56.0
493.27682	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	492.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68993	0.4
57.03456	0.5
59.01381	2.0
61.98815	1.6
65.30661	0.3
66.51559	0.4
68.91587	0.4
70.63279	1.4
71.01387	0.4
72.29396	0.4
78.72357	0.4
78.95464	0.8
78.95903	10.9
80.01872	0.4
91.86851	0.4
97.06628	0.4
97.89085	0.4
113.09740	2.2
140.01183	2.9
152.99556	1.2
171.00552	0.6
179.14388	1.0
181.12349	0.4
195.13895	18.0
196.03745	2.0
196.14221	0.8
214.04874	4.1
277.21716	14.9
278.22113	1.5
295.22766	100.0
296.23123	9.7
492.27332	24.4
492.34839	0.4
493.27621	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	492.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14151	0.6
57.03450	12.5
59.01383	15.0
61.98831	100.0
69.73357	1.1
69.73768	2.5
71.01389	2.1
73.02956	0.7
76.31808	0.5
83.01415	0.6
85.02972	0.7
89.02470	1.0
90.98555	0.5
99.04526	11.4
101.02456	3.5
104.98382	0.9
112.98782	0.8
113.02477	0.7
113.22527	0.5
125.02433	5.9
125.03152	0.5
127.04002	0.6
127.41734	0.5
142.99820	0.6
143.03619	0.5
161.04590	1.1
173.00894	1.6
174.01695	4.8
197.01445	0.5
279.00113	0.9
375.27576	1.6
491.28491	1.3
492.28693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	5.4
59.01371	1.5
69.51202	6.6
69.51626	2.6
74.02465	14.7
79.93941	4.3
79.95740	100.0
80.96522	36.8
86.02484	5.7
87.05614	2.2
90.00204	1.4
97.04060	2.5
99.05642	12.4
100.00406	1.3
101.07208	2.2
102.05589	1.5
111.05635	1.6
111.65916	1.1
112.04047	1.4
112.93734	15.6
113.03582	1.1
123.05647	1.1
124.04057	1.2
127.05130	2.1
127.66334	1.1
128.03545	40.5
129.03822	1.1
132.37917	1.0
135.05656	4.4
137.07164	1.1
141.06747	2.1
141.30269	1.0
143.04630	53.0
143.90158	30.3
144.05006	1.7
144.90952	47.4
145.06175	2.5
146.04558	4.5
146.05682	1.1
153.06670	2.2
153.14700	1.2
155.08144	1.4
160.00729	11.4
166.09886	2.1
167.04572	3.5
167.08260	1.8
171.07742	3.1
177.03381	4.7
179.04597	12.3
180.05011	1.6
184.94000	3.0
185.05673	3.8
185.07301	1.2
197.05688	2.0
198.08728	1.3
210.08833	10.9
211.91248	1.1
218.92802	3.9
254.07834	14.4
272.06107	2.0
272.08850	23.1
273.09192	1.2
288.06555	6.0
306.07639	74.8
307.07925	4.6
346.10724	7.2
362.98267	3.2
386.03232	2.9
428.06226	6.9
474.01361	10.9
475.01367	1.6
492.02457	85.9
493.02850	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.6
61.98820	1.4
69.33348	1.4
69.33775	1.5
71.01379	3.0
73.02948	0.9
78.95900	4.5
83.01396	0.3
85.02950	0.7
85.12328	0.3
87.00877	0.6
89.02432	2.9
95.01376	0.3
96.96987	0.5
101.02436	3.3
113.02434	1.4
119.03488	0.8
133.05022	0.5
139.51964	0.3
143.03519	0.4
152.98358	0.4
152.99599	6.5
161.04539	0.9
171.00627	1.5
179.05605	0.4
230.83905	0.4
235.08197	1.0
236.01140	0.4
253.06601	0.5
253.09279	12.8
255.23282	100.0
256.23621	7.9
358.41888	0.3
367.39224	0.4
407.21826	0.4
433.23380	1.0
491.20169	0.6
492.20114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20796	0.5
57.03463	1.2
59.01383	5.7
61.98833	100.0
71.01384	2.0
73.02956	1.1
79.21590	0.5
80.27497	0.6
86.96434	0.5
99.00938	0.6
99.04513	1.2
101.02467	1.8
108.02174	4.6
109.02469	0.7
113.02441	0.6
123.04553	6.8
124.04866	1.3
125.02487	0.7
126.92362	0.6
142.99944	0.5
150.78699	0.5
152.18629	0.5
167.03502	7.6
168.03835	1.7
173.00835	0.7
174.01613	2.5
186.73109	0.5
233.54533	0.5
492.32065	1.3
493.30231	1.4
507.60574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16981	0.4
57.03458	1.0
59.01384	3.8
61.98832	100.0
69.22709	0.3
69.76345	0.4
69.76652	2.2
71.01392	0.9
87.00872	0.4
87.04543	0.5
89.02486	0.6
99.04530	1.1
101.02468	0.7
104.98360	0.6
113.02455	0.5
118.49350	0.4
125.02419	0.8
142.99956	0.6
149.04546	0.4
174.01733	0.8
245.01270	1.1
355.37576	0.4
377.18057	0.4
420.10236	0.4
491.28076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2863
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01860	0.6
57.03436	1.5
58.00588	0.5
59.01381	23.9
61.98828	6.1
63.40736	0.5
69.49575	4.0
71.01385	13.8
72.99306	1.8
73.02939	1.8
79.95710	0.6
83.01389	1.3
83.05026	0.6
85.02960	5.0
87.00879	1.4
89.02453	7.6
89.84757	0.5
95.01388	0.9
99.00839	0.7
99.04487	0.6
101.02447	8.5
104.98386	0.9
112.98831	0.6
113.02460	5.8
117.23370	0.9
119.03511	2.9
125.03098	1.0
127.11295	1.2
128.03549	1.4
139.11290	1.6
140.49959	0.5
149.04565	0.9
171.10255	4.2
183.14026	0.8
211.13399	4.8
229.14430	3.9
239.87962	0.5
249.22188	0.7
272.08975	0.7
293.21234	8.7
307.07928	0.7
311.22287	4.5
313.23831	0.8
329.23318	11.0
330.23502	0.7
378.08057	1.0
379.08313	1.7
380.07745	0.8
491.28595	100.0
492.28937	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	491.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
58.00595	0.3
59.01377	4.6
61.98838	0.8
65.25085	0.1
67.17376	0.1
69.73930	0.7
71.00990	0.2
71.01382	4.1
72.99303	0.3
73.02950	1.0
78.95904	1.1
81.67550	0.1
83.01384	0.6
85.02944	1.1
87.00870	0.5
89.02453	3.0
91.04008	0.2
95.01370	0.3
96.96944	0.2
97.02946	0.1
99.00883	0.1
101.02451	4.0
103.03978	0.2
113.02457	2.1
119.03499	0.9
125.02456	0.3
125.74531	0.1
132.44691	0.1
133.05090	0.4
140.04912	0.1
143.03494	0.3
146.07570	0.1
147.27246	0.1
150.70677	0.1
152.99582	1.0
157.05022	0.2
161.04582	1.5
171.00636	0.6
175.36032	0.1
179.05617	0.5
214.40495	0.2
235.08258	1.4
253.09290	12.8
254.09615	0.7
255.23288	100.0
256.23618	8.0
279.23282	0.3
452.47623	0.1
492.19821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2663
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01368	2.1
61.98826	4.1
64.95242	1.2
66.03481	1.2
71.02516	3.5
73.04078	0.6
78.95919	0.5
82.01716	1.3
84.33788	0.5
97.00454	0.7
98.19824	0.9
110.03592	1.0
110.94015	1.3
111.02007	0.5
115.08766	11.4
115.09550	1.0
116.05047	1.4
118.06641	3.6
125.07223	3.4
126.05614	1.8
127.08747	0.7
136.95607	0.5
141.06708	4.8
141.12878	0.6
146.06128	9.3
152.08293	2.0
153.06665	1.1
153.09082	0.6
163.08754	1.1
168.07712	0.7
170.09343	3.4
173.00912	0.8
173.07225	0.9
174.01581	1.5
174.05620	1.3
179.11906	4.4
189.06619	0.9
192.46379	0.6
194.12959	0.8
196.14516	1.1
200.10783	1.8
201.09442	0.6
202.12404	1.0
205.24605	0.5
214.15596	4.0
217.13547	1.2
227.11864	2.2
228.10320	2.4
229.48618	0.5
240.07901	0.9
240.13312	0.7
244.14578	0.5
245.12968	3.5
248.10710	1.1
249.22249	0.8
259.37259	0.5
262.15594	3.0
269.16089	0.6
276.10196	0.8
283.18216	0.6
295.22769	7.7
299.17603	0.7
310.15622	0.6
326.18741	5.4
327.18985	0.7
344.19644	3.3
473.25699	0.8
491.26624	100.0
492.26932	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25243	0.5
57.03432	0.5
59.01378	7.9
60.01724	0.7
61.98851	0.5
69.60868	2.6
70.18277	0.6
71.01387	1.2
73.02957	0.6
85.02946	0.7
87.00877	100.0
88.00406	1.7
88.01217	1.5
88.04036	0.8
89.02416	0.6
93.92042	0.4
99.04546	0.5
101.02428	0.7
119.03499	0.6
125.02417	0.5
149.04509	0.5
161.04549	0.6
175.02409	0.5
200.81401	0.5
217.24210	0.5
301.15393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.1
57.21359	0.4
59.01381	100.0
60.01706	0.8
61.98827	6.6
62.91632	0.5
71.01397	3.7
71.61948	0.5
73.01151	0.5
73.02967	1.4
75.00884	4.1
83.01369	1.1
85.02969	1.4
89.02460	2.0
89.27038	0.6
99.00886	0.5
99.04530	4.3
101.02448	3.2
106.06641	0.6
113.02473	1.8
119.03503	0.8
125.02495	1.6
142.89578	0.5
143.03516	0.5
149.04575	1.1
161.04565	1.2
171.10291	0.9
178.32875	0.5
211.13464	1.3
215.93604	0.5
227.16641	0.8
241.13495	1.1
255.12476	0.6
272.46182	0.5
287.15103	0.8
329.11563	1.1
353.20233	0.5
371.20956	1.5
389.21780	1.7
431.23129	1.6
491.21420	3.4
491.27914	0.9
492.32031	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.1
57.21359	0.4
59.01381	100.0
60.01706	0.8
61.98827	6.6
62.91632	0.5
71.01397	3.7
71.61948	0.5
73.01151	0.5
73.02967	1.4
75.00884	4.1
83.01369	1.1
85.02969	1.4
89.02460	2.0
89.27038	0.6
99.00886	0.5
99.04530	4.3
101.02448	3.2
106.06641	0.6
113.02473	1.8
119.03503	0.8
125.02495	1.6
142.89578	0.5
143.03516	0.5
149.04575	1.1
161.04565	1.2
171.10291	0.9
178.32875	0.5
211.13464	1.3
215.93604	0.5
227.16641	0.8
241.13495	1.1
255.12476	0.6
272.46182	0.5
287.15103	0.8
329.11563	1.1
353.20233	0.5
371.20956	1.5
389.21780	1.7
431.23129	1.6
491.21420	3.4
491.27914	0.9
492.32031	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	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
58.03780	1.7
59.01384	89.9
60.01703	2.4
61.98835	56.8
68.59945	1.2
70.99625	1.3
71.01389	10.5
71.60715	2.7
73.01180	1.3
73.02944	8.2
75.00878	8.4
79.95736	1.9
81.03448	3.4
83.01420	2.7
85.02948	2.8
87.00914	2.1
89.02461	2.4
99.00887	2.1
99.04523	89.5
99.64519	1.3
100.04888	2.6
101.02448	20.2
104.98358	2.7
107.01634	1.4
108.02116	1.4
113.02429	3.7
123.04510	2.6
125.02448	34.4
143.03484	2.2
149.04562	2.3
161.04512	3.3
163.37465	1.2
167.03474	1.6
175.02567	1.5
187.82146	1.3
203.05565	1.5
203.13182	1.3
246.41106	1.4
300.02740	1.9
401.33765	1.3
431.22781	1.6
432.52399	1.4
491.21713	2.5
491.28568	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	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82027	0.3
59.01392	1.2
63.96239	0.6
68.97695	0.3
69.03457	0.5
69.89113	0.7
69.89501	0.6
71.01382	6.0
73.02951	4.6
76.97031	0.8
79.95750	0.9
82.20985	0.2
87.00871	2.8
89.02448	32.6
90.02792	0.7
98.20558	0.4
101.02489	0.3
102.56687	0.3
103.04008	2.1
104.27222	0.2
120.74258	0.2
131.03508	7.4
149.04558	100.0
150.02303	4.4
150.04875	2.9
198.42194	0.3
242.96675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08232	2.5
55.01889	4.3
57.03459	4.8
58.00594	6.6
59.01381	100.0
60.01700	2.6
60.99307	3.7
61.98835	38.0
63.02407	3.0
64.14767	2.7
70.34811	4.8
70.35186	5.0
71.01391	93.8
72.99312	6.8
73.02969	13.0
79.95737	20.2
80.96516	6.1
83.01381	10.7
85.02944	32.2
87.00871	28.1
88.98810	23.6
89.02448	82.7
95.01411	7.6
99.00880	7.2
101.02454	70.6
107.01408	6.3
112.93690	3.0
113.02444	51.3
119.03497	30.9
123.04540	5.7
125.02477	5.2
128.03522	12.8
131.03508	14.9
134.03752	21.3
141.06731	3.1
143.03506	9.4
143.04662	8.0
143.90164	4.4
144.90935	11.2
149.04536	5.6
149.06084	20.0
151.00417	18.1
152.04776	6.5
161.04553	32.5
163.00322	6.5
165.01865	2.8
167.03458	8.6
167.07153	4.3
169.01440	3.3
178.99879	37.0
179.05656	40.1
180.05902	4.4
209.04515	15.2
219.79919	2.8
221.04623	4.8
221.06644	47.1
239.05565	4.6
251.05591	32.7
263.07706	10.6
272.08768	3.3
281.06754	21.6
287.01880	4.4
306.07690	17.5
311.07782	4.1
315.01486	10.3
329.12387	45.6
330.12900	3.6
355.03000	3.2
371.09531	4.8
491.05234	5.4
491.17773	73.0
492.02469	11.7
492.17697	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	491.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37140	0.5
59.01379	7.6
61.98816	0.8
65.00316	1.2
69.76598	0.6
69.77009	1.9
71.01387	7.7
73.02966	1.9
79.95747	0.9
83.01398	1.0
85.02943	1.9
87.00873	1.9
89.02444	7.7
89.14616	0.4
91.01901	6.8
95.01399	1.1
96.96968	0.4
97.02958	0.5
101.02448	5.1
103.73427	0.4
108.02170	5.0
111.00871	1.1
113.02460	3.6
116.81155	0.4
119.03522	2.8
123.00927	0.7
123.04532	25.5
124.01653	1.1
124.04885	0.6
125.02474	2.3
131.03520	1.2
136.52849	0.4
139.00381	0.6
143.03505	1.0
144.90944	0.6
149.04555	4.7
150.02315	1.3
151.00403	0.9
152.01164	7.2
161.04572	1.7
166.02727	0.9
167.03503	100.0
168.03851	3.7
178.99864	0.6
179.05620	2.2
209.04523	4.3
221.06575	2.4
263.07843	0.6
272.09006	0.4
293.12427	0.5
306.07465	0.7
323.09802	1.3
491.14258	0.7
492.03021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40096	0.6
57.03442	0.6
59.01379	9.6
61.98830	7.3
71.01385	3.1
73.02967	0.8
80.02685	1.4
85.02943	1.1
89.02438	1.0
95.91718	0.7
99.00863	0.6
99.04506	0.7
101.02447	1.6
104.98399	1.2
106.61629	0.4
108.02175	48.4
109.02519	1.6
112.98857	0.5
113.02420	0.6
117.30865	0.4
123.04523	70.4
124.04844	2.4
131.01727	0.8
134.06174	0.5
142.99902	0.5
167.03491	100.0
168.03835	4.1
173.00832	0.6
174.01625	0.6
185.72916	0.5
204.83226	0.5
282.81232	0.6
287.09204	0.5
293.21344	0.6
329.23096	1.1
431.13760	0.7
491.28323	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	491.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51802	0.6
50.84358	0.5
52.07080	0.6
59.01379	1.7
69.89071	3.1
71.01387	6.3
72.55453	0.5
73.02946	5.6
73.14862	0.6
73.88260	0.6
76.97012	0.6
79.95760	0.8
87.00862	1.7
89.02447	27.7
101.02530	0.6
103.04015	2.5
131.03497	7.4
149.04556	100.0
150.02307	7.3
150.04906	2.5
182.12169	0.6
195.80821	0.6
256.83246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88179	0.4
59.01366	1.8
61.98818	1.7
63.90417	0.4
71.01383	3.0
71.14844	0.9
71.15196	0.5
73.02949	1.2
79.19480	0.4
79.95755	1.0
87.00864	1.4
89.02446	7.4
96.96027	1.5
101.02444	0.9
103.03970	0.7
107.41960	0.4
108.02178	24.8
109.02510	0.8
113.02487	0.8
119.03483	0.7
123.04522	11.8
124.04857	0.7
124.56789	0.5
125.02441	0.6
131.03505	1.7
149.04555	25.7
150.02280	2.5
150.04874	0.7
152.01149	53.2
153.01486	2.8
161.04599	0.5
167.03493	100.0
168.03802	4.2
179.05490	0.8
185.31958	0.4
209.04555	0.6
221.06783	0.8
228.83618	0.4
323.09921	1.1
329.08783	0.6
371.09689	0.7
491.13910	7.1
492.14740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49198	0.6
59.01380	0.7
59.63065	0.6
60.11625	0.6
66.43340	0.5
68.16664	0.6
69.50974	0.7
70.93284	1.0
70.93626	0.6
78.95895	6.5
79.53596	0.6
120.53015	0.5
152.99529	0.7
154.02771	0.9
210.05334	0.8
211.64302	0.8
228.06432	2.3
235.73807	0.7
277.21594	1.1
279.23288	100.0
280.23569	9.4
281.57068	0.7
490.29492	7.8
491.29733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23574	0.3
55.01917	0.3
55.09191	0.3
57.03456	2.1
58.00624	0.4
59.01381	8.3
61.98836	5.9
63.02406	1.9
65.00365	1.1
67.01900	0.5
69.71029	1.6
70.99646	0.4
71.01385	7.2
72.99349	1.2
73.01198	0.4
73.02995	1.3
75.00871	2.8
83.01393	2.8
85.02952	11.8
87.00936	1.5
89.02496	1.6
95.01376	3.6
96.74712	0.4
99.00886	3.8
99.04539	0.5
101.02489	1.1
103.00368	1.7
107.01394	5.3
108.02219	1.0
109.98424	0.4
110.27506	0.3
111.00912	0.4
112.98895	0.4
113.02457	21.9
114.02807	0.9
115.00471	0.6
117.02007	1.5
124.01758	0.8
125.02506	1.2
126.98628	0.7
129.01996	0.9
135.00946	0.6
136.01720	0.4
139.00397	0.5
139.11349	1.5
148.01692	2.4
149.99635	0.7
151.00378	11.0
152.01071	0.4
155.10779	0.5
157.01341	0.5
163.00449	1.5
164.01161	3.3
165.01630	0.5
169.01506	1.1
175.02490	5.8
175.03918	0.7
179.05446	0.4
181.12387	0.8
183.10284	1.9
199.09740	0.4
199.13399	0.6
202.67485	0.4
211.04065	0.5
215.03511	0.7
216.04173	0.6
225.11411	0.6
227.03477	1.9
228.04308	0.6
243.03006	1.1
243.12361	7.4
244.03641	0.5
244.12833	0.4
245.01271	2.4
255.02971	1.4
256.67618	0.4
271.02509	3.0
272.03177	1.0
283.02496	1.7
299.01926	0.5
300.02750	56.3
301.03082	4.6
315.05096	100.0
316.05432	7.6
316.08102	0.2
357.06152	0.4
473.13980	0.5
491.08331	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	491.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01385	8.6
61.98841	3.4
69.75413	5.5
71.01382	5.9
73.02958	1.3
74.02489	1.3
79.95728	5.6
80.96527	2.5
81.03461	5.5
83.01400	4.5
85.02955	1.5
86.07366	1.0
87.00880	3.3
88.98814	1.3
89.02451	4.8
90.80799	0.9
93.53044	1.0
95.01417	1.2
95.05042	9.0
96.96950	1.3
97.02979	2.1
99.04533	2.1
101.02443	3.8
113.02423	2.6
119.03477	2.5
119.80313	1.1
121.02934	1.3
122.03758	1.4
123.04532	14.3
125.02462	13.0
126.74900	0.9
128.03589	3.5
137.06078	11.7
139.04022	2.9
143.04626	1.2
143.90224	1.2
144.90924	2.2
149.04576	10.4
149.05775	1.4
150.02277	1.5
165.05582	3.9
167.03522	40.0
168.03912	1.5
179.03540	4.5
179.05583	1.9
180.04254	1.7
181.05077	1.9
191.03525	4.0
193.05011	1.2
209.04562	100.0
210.04933	4.4
221.04642	1.7
221.06595	1.1
233.04565	6.3
238.27327	1.1
239.05626	15.7
251.05614	3.2
254.07735	1.1
263.05450	1.2
281.06784	2.5
292.83972	1.0
306.07693	3.4
330.43011	1.2
371.09811	28.6
372.10010	2.8
401.11203	1.3
428.05133	1.2
487.71582	1.2
491.13239	2.7
491.18436	2.0
492.02615	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93179	0.3
57.03452	1.1
59.01381	15.2
60.01729	1.1
61.68500	0.3
61.98832	100.0
62.98542	0.4
67.00803	0.3
69.29452	3.3
71.01388	2.1
82.79057	0.3
85.02962	0.8
87.00906	0.4
89.02467	1.3
99.04525	1.5
101.02432	1.6
113.02458	0.7
125.02484	0.6
169.83612	0.4
186.12492	0.4
226.15326	0.9
289.43054	0.4
315.05502	0.4
369.19333	0.5
370.19614	1.8
375.71210	0.3
380.82657	0.3
387.20444	0.6
388.20480	2.0
420.72180	0.4
430.21674	2.5
446.20453	0.4
490.14227	0.4
490.26511	1.7
491.27957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48763	1.0
59.01379	3.3
61.98840	10.2
67.75124	0.9
71.61391	1.3
73.92517	1.0
78.95908	37.8
96.96967	1.5
99.07529	2.4
99.08162	37.9
122.00107	1.2
140.01215	9.6
146.06564	1.0
152.99574	4.9
193.12328	15.4
196.03816	15.9
214.04926	4.3
235.12456	1.1
253.48595	1.1
265.21713	1.6
293.21237	100.0
294.21582	11.3
490.18652	2.2
490.25763	43.5
491.26236	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	490.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
61.98831	18.0
71.61083	1.0
78.95899	7.7
97.06564	1.6
97.46244	0.7
99.08162	27.1
100.08513	0.8
125.12596	0.7
140.01143	3.7
149.13354	0.9
152.99594	0.9
193.12320	11.9
196.03850	1.5
211.13362	1.1
214.04800	4.4
265.21722	1.3
293.21234	100.0
294.21594	9.3
490.25845	12.9
491.25735	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	490.0274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	3.5
59.01373	7.5
61.82777	1.5
61.98836	9.0
64.95250	9.3
69.36751	8.3
69.37179	5.9
71.01354	1.8
72.00907	2.0
74.02477	12.2
82.02990	1.8
83.59417	1.4
86.02473	4.8
87.05649	2.9
95.91686	2.3
98.20695	2.8
99.04538	1.6
99.05652	7.2
101.07175	3.2
101.48914	1.5
104.98348	4.0
105.71460	1.5
127.05132	2.4
128.03534	35.4
135.05608	1.8
136.95560	9.2
141.06653	3.1
143.04611	41.4
145.06143	2.2
146.04642	4.4
155.08170	1.9
160.00674	8.4
163.49141	2.4
167.04558	2.9
167.08292	2.1
171.07785	5.3
177.03392	2.2
179.04625	9.6
185.05659	3.4
197.05649	2.4
199.07205	4.2
210.08885	12.7
234.06570	1.7
242.07927	1.7
249.67680	1.9
254.07782	15.1
272.08878	31.4
288.06607	4.8
304.05948	2.2
306.04474	3.0
306.07660	28.8
346.10800	9.0
378.07996	100.0
379.07965	8.6
380.59946	1.9
411.05807	10.4
489.26358	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	490.052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.0
59.01384	43.4
60.01713	1.3
61.98835	100.0
69.03446	0.9
71.01391	5.9
73.01174	1.0
73.02959	2.4
75.00891	1.1
83.01395	3.8
83.05032	0.8
85.02972	3.2
89.02457	3.9
93.03408	0.7
95.01423	1.0
99.04533	4.5
101.02459	6.0
104.98365	0.7
111.00932	0.8
113.02449	3.6
119.03522	1.5
125.02454	1.8
138.81555	0.7
141.73500	0.8
151.00403	1.3
160.01697	0.8
161.04607	1.7
171.10277	4.7
175.02559	1.0
175.04016	0.9
180.76744	0.8
193.12387	2.1
195.10291	0.8
211.13412	9.8
227.03560	2.2
228.03889	2.4
229.04927	1.5
230.05424	1.5
253.09428	1.4
255.03012	5.9
255.12416	1.0
256.03336	5.7
257.04367	1.3
284.03250	8.2
285.03894	17.4
286.04434	10.9
287.04626	0.9
300.02829	0.9
308.61188	0.8
315.05249	1.4
352.11841	0.8
429.21512	2.3
430.21878	1.6
489.10635	1.4
490.11145	5.1
490.18396	1.5
491.21448	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98317	0.6
54.11259	0.7
57.03428	1.6
59.01382	100.0
60.01731	0.8
61.98833	36.1
62.59357	0.7
69.10421	0.8
71.01389	10.8
71.61263	0.8
73.02941	5.1
83.01386	1.6
85.02985	3.3
89.02445	2.4
93.03479	1.0
93.32008	0.8
98.67056	0.7
99.04529	1.3
101.02434	8.5
111.63820	1.0
113.02438	4.3
119.03510	1.4
125.02475	1.2
143.03586	0.8
147.41895	0.7
161.04553	5.4
163.11261	0.9
165.01979	1.4
203.05653	0.9
207.13885	1.8
225.14928	5.6
227.03560	1.9
255.03069	1.8
284.03253	1.2
285.03793	1.5
335.73834	1.0
359.35272	0.8
369.19312	4.3
387.20331	7.9
388.20520	0.9
394.75647	0.7
403.20425	0.8
429.21173	6.2
445.20868	2.4
471.22705	1.0
507.88831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.8
59.01379	100.0
60.01718	1.7
61.98830	6.2
69.34186	2.0
69.34628	3.5
71.01380	6.6
71.96088	0.6
73.02947	3.7
75.00879	0.7
80.44471	0.6
83.01408	0.9
85.02959	2.5
87.00902	1.2
89.02453	4.5
96.72285	0.7
99.00889	0.6
101.02437	8.0
103.04053	1.8
113.02450	1.2
119.03513	1.8
131.03516	0.7
143.03458	0.8
145.05049	1.0
161.04514	0.7
163.06136	7.9
164.77686	0.7
167.28966	0.6
205.07202	1.8
225.15001	2.0
265.09393	0.8
309.14029	0.7
369.19202	7.2
370.19553	0.7
387.20300	6.5
429.22089	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	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01381	100.0
60.18593	0.9
61.98826	3.2
62.90078	0.8
71.01382	7.1
73.02949	4.3
75.00895	1.3
79.95775	1.1
80.96524	1.2
83.01400	2.2
85.02958	2.1
88.04028	0.8
89.02449	3.3
99.35075	0.8
101.02447	12.3
113.02475	3.7
115.00428	1.0
118.25023	0.8
118.99046	0.8
119.03503	1.6
143.04607	1.0
161.04550	2.1
179.05704	1.0
205.12289	1.3
217.89015	0.8
223.13394	3.0
227.03510	1.1
239.81281	0.9
243.94702	0.8
255.03006	1.9
284.03308	2.2
285.03876	3.0
296.06485	1.2
297.03955	1.6
327.08765	4.2
387.20255	1.4
489.10452	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71119	0.5
58.79653	0.6
59.01381	100.0
60.01738	0.7
60.27930	0.5
61.98832	7.5
70.08918	1.7
71.01391	1.7
73.02950	0.9
81.24515	0.5
85.02943	1.0
87.00941	0.7
88.98820	1.1
89.02450	0.9
99.00891	0.7
100.20896	0.5
101.02451	1.2
113.02446	0.9
113.95099	0.6
122.34378	0.6
161.04552	0.8
169.64259	0.5
176.84122	0.5
205.12354	0.6
227.03590	0.6
255.03088	1.1
284.03253	0.7
285.04074	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	489.1041
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
55.57133	0.3
59.01381	3.0
61.98830	4.1
63.02382	0.5
64.70808	0.2
65.00333	0.7
69.38308	2.0
83.01374	0.2
90.68274	0.2
93.03483	1.1
101.02422	0.4
105.18682	0.2
107.01376	2.0
108.02177	0.2
109.02953	0.4
117.03419	0.6
121.58262	0.2
132.02168	1.6
135.00867	1.5
143.05051	0.7
151.00377	1.9
159.04526	0.5
163.00378	2.1
164.01097	0.6
167.04988	0.6
169.06615	0.4
171.04515	0.5
172.05302	0.3
178.99899	0.4
182.03746	0.3
183.04512	1.8
185.02415	0.5
185.06096	1.6
187.03983	2.0
189.05614	0.2
190.99893	0.5
195.04564	0.4
197.06078	0.6
199.03911	1.0
200.04816	0.5
211.03995	2.4
212.04875	0.3
213.05498	1.2
227.03496	31.6
228.03906	2.2
229.02734	0.3
229.05049	6.2
230.05379	0.5
239.03482	1.5
240.04201	0.5
241.05022	0.8
255.02986	71.6
256.03491	7.1
257.04529	3.9
258.04880	0.4
267.02908	0.5
283.02499	4.3
284.03256	100.0
285.04001	73.6
286.04370	4.6
390.03156	0.2
429.08270	3.2
430.08365	0.4
447.09064	0.4
489.10379	32.9
490.10699	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	489.104
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01383	1.3
61.98831	0.2
63.02387	0.4
65.00314	0.7
65.32502	0.1
83.01383	0.5
86.29101	0.1
91.01906	0.4
93.03455	1.4
95.01382	0.1
98.19762	0.3
100.51169	0.1
107.01401	2.1
108.02216	0.2
109.02930	0.4
117.03473	0.4
119.01328	0.2
123.00889	0.2
125.02463	0.2
130.04265	0.2
131.05060	0.2
132.02173	1.2
135.00885	1.7
137.02420	0.2
141.07060	0.2
143.05064	1.0
151.00368	1.7
153.01900	0.3
154.04243	0.3
155.04985	0.2
157.06616	0.7
159.04514	1.1
161.02477	0.3
163.00381	2.3
164.01114	0.6
165.01898	0.5
167.05095	0.7
167.09073	0.1
169.06619	0.8
171.04501	0.6
172.05223	0.1
173.02415	0.1
173.05997	0.2
182.00232	0.2
183.04591	0.8
184.05084	0.2
185.02429	0.5
185.06084	2.0
187.03979	2.7
189.05531	0.8
190.99864	0.3
192.00575	0.2
195.04512	0.7
196.05222	0.3
197.06067	0.8
198.03116	0.2
199.03989	0.9
200.04796	0.4
201.05479	0.5
211.03969	2.9
212.04715	0.3
213.01855	0.2
213.05553	1.7
214.02631	0.4
215.03569	0.2
217.05127	0.2
223.03949	0.3
227.03496	27.4
228.03873	2.2
229.05043	10.5
230.05344	0.7
239.03500	1.5
240.04160	0.7
241.04991	1.2
242.05605	0.2
243.02884	0.4
255.02982	55.8
256.03506	6.3
257.04544	5.7
257.10205	0.1
258.04962	0.3
267.02911	1.0
283.02441	1.4
284.03256	69.0
285.04016	100.0
286.04364	8.0
310.36481	0.2
356.87393	0.2
429.08243	2.8
447.09091	0.5
489.10379	26.9
490.10727	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	488.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.4
69.39197	6.8
71.01387	7.4
72.99305	1.9
74.02460	1.2
75.47839	0.8
85.02956	1.4
87.00880	2.8
89.02462	2.2
96.96964	0.9
98.20582	1.8
101.02435	1.1
102.05610	39.8
115.00385	2.8
127.05141	2.3
128.03545	28.8
129.01944	2.2
145.01471	0.9
145.06177	11.8
146.04596	100.0
146.06505	4.0
146.08249	2.0
147.03046	8.3
147.04968	2.2
147.06609	5.4
149.04636	2.0
227.03528	0.9
255.03038	1.3
284.03241	1.2
341.10907	4.7
349.05939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78116	1.1
61.79475	1.0
61.98830	100.0
69.62361	7.3
70.09161	1.1
73.74771	1.1
78.95902	2.5
152.99591	4.2
178.66408	1.0
188.33023	1.2
193.59091	1.0
253.21469	1.1
317.13046	1.1
317.19907	1.1
431.21750	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	489.1037
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01376	2.0
61.98815	0.5
63.02400	0.5
65.00331	0.6
70.35147	0.9
75.99962	0.2
83.01373	0.6
87.00902	0.4
88.98832	0.4
93.03458	1.6
101.02467	0.8
107.01405	2.3
109.02950	0.5
113.02396	0.3
116.67972	0.2
117.03461	0.3
125.02431	0.6
126.20399	0.2
128.03554	0.8
131.04970	0.3
132.02205	1.1
135.00893	1.7
141.07167	0.4
143.05037	0.8
151.00386	2.3
153.01990	0.5
157.06546	0.6
159.04517	1.1
163.00395	2.0
164.01131	0.6
169.06602	0.5
171.04541	0.5
178.99844	1.3
182.03735	0.3
183.04494	2.1
185.02477	0.6
185.06126	2.2
187.03981	2.5
189.05536	0.7
195.04546	0.6
197.06021	0.9
199.03990	0.9
201.05574	0.5
211.04007	3.1
213.05536	1.3
227.03508	63.1
228.03850	4.6
229.05040	8.4
230.05421	0.6
239.03459	1.6
240.04260	0.6
241.05057	1.2
255.02988	100.0
256.03546	11.7
257.04544	5.4
258.04910	0.3
267.02899	1.0
269.04370	0.3
283.02505	1.8
284.03259	94.3
285.04013	93.8
286.04370	6.7
411.51572	0.3
429.08286	2.6
447.09125	0.5
489.10370	75.3
490.10712	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	488.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
61.98830	100.0
71.01392	0.9
71.58408	0.4
81.06710	0.6
101.02434	0.8
104.98386	0.6
119.20958	0.5
128.03526	0.7
143.04616	0.5
177.05612	1.0
197.50639	0.6
208.58250	0.5
284.03433	0.5
285.03909	0.8
294.60657	0.5
361.66306	0.5
488.23010	0.8
510.09964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05624	0.7
54.16060	0.7
59.01389	3.6
61.98831	100.0
70.40102	2.1
70.40499	1.3
86.26926	0.7
89.02465	1.1
102.75489	0.8
105.83113	0.8
118.28099	0.7
120.40891	0.9
138.68924	0.9
162.83942	4.3
225.03442	0.8
255.03142	0.7
375.87927	2.4
487.82394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.9
61.98830	100.0
62.98563	0.4
69.89966	0.7
69.90378	1.3
71.01385	1.1
73.01159	0.3
75.00871	0.8
77.22911	0.3
79.95750	0.5
89.32008	0.3
92.85253	0.3
96.65256	0.3
101.02499	0.4
107.28730	0.3
110.26278	0.3
113.02414	0.4
128.03514	0.4
171.10243	0.4
175.30151	0.3
211.13437	0.4
217.99930	0.4
252.18971	0.3
255.02962	0.5
285.03961	0.4
327.21829	0.5
400.74326	0.4
487.25806	0.6
489.27090	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	488.036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01377	9.5
61.98829	100.0
63.96229	0.4
69.41103	3.0
71.01390	2.2
73.02956	1.8
75.00865	0.5
85.02972	1.0
87.00867	0.5
89.02425	0.6
99.00882	1.2
99.04504	0.5
99.81979	0.4
101.02470	1.1
105.00155	1.0
109.03124	0.4
113.02468	0.8
119.03435	0.4
122.51311	0.3
124.90731	0.4
127.05157	0.5
130.08771	1.0
130.13513	0.4
147.37801	0.4
149.02496	0.7
151.45007	0.4
190.02745	1.3
205.05055	0.7
227.03560	0.9
242.02097	0.4
245.01050	0.5
255.02917	2.4
280.13126	0.5
283.02481	3.3
284.03195	3.2
285.04047	5.3
311.04895	1.2
312.15762	0.7
313.03714	0.7
325.56717	0.6
326.07162	7.6
326.57336	1.9
356.18625	0.4
454.20126	1.1
488.12827	1.1
488.25006	1.6
489.10529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39700	0.4
57.03464	0.4
59.01385	6.5
61.98833	100.0
68.45312	0.4
71.01395	1.8
71.19059	0.7
71.19392	0.5
73.01175	0.5
73.02949	0.6
73.04057	0.4
75.33787	0.4
82.08477	0.4
83.01382	0.4
85.02946	0.7
89.02471	0.8
99.00903	0.4
99.04524	0.5
101.02432	0.9
105.00186	0.5
113.02459	0.4
114.05618	0.5
121.02998	0.4
130.08730	0.5
135.04591	0.5
145.03006	0.4
147.00813	0.6
149.02454	0.4
159.47885	0.4
161.04663	0.5
165.02055	0.5
190.02708	0.5
206.01071	0.4
227.03535	0.6
239.03557	0.4
245.01273	0.4
255.03021	2.3
283.02371	2.0
284.03293	2.1
285.04077	3.9
311.04904	0.4
313.03448	0.8
326.07141	4.6
326.57370	0.7
393.35519	0.4
488.12589	0.6
488.25198	1.5
488.62485	0.6
489.10751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01378	16.9
60.01720	1.0
61.98830	100.0
63.47718	0.3
70.53331	0.3
71.01389	2.7
71.38770	0.5
72.99300	0.4
73.02949	1.9
75.00888	0.6
82.50607	0.4
83.01382	0.5
85.02923	1.8
85.91687	0.4
87.00886	0.7
89.02470	1.1
95.01391	0.5
99.00890	0.6
99.04533	1.6
101.02435	2.2
102.02799	0.4
106.06642	0.4
113.02438	2.2
114.02803	0.5
115.00346	0.4
117.03482	1.0
119.03500	0.5
121.02962	0.4
128.03571	0.5
145.02971	1.4
146.03325	0.8
161.04597	0.6
190.02766	0.7
205.05058	0.8
205.12331	1.9
206.12744	0.4
213.88148	0.4
216.85977	0.4
223.06157	0.4
227.03575	1.6
228.03766	0.7
255.02979	3.7
256.03467	1.1
257.03729	0.6
283.02554	2.9
284.03207	2.3
285.03809	2.4
286.04422	1.0
318.05627	0.5
325.56738	2.3
326.07104	2.6
367.10254	0.5
387.20367	1.3
388.20435	0.4
399.59756	2.1
416.60760	0.4
428.20517	0.4
488.12738	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	488.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97424	0.4
57.03431	0.5
59.01379	8.0
60.67591	0.4
61.98830	100.0
62.98559	0.5
71.01389	1.7
71.15909	0.7
73.02957	1.1
85.02957	0.8
89.02448	0.8
99.04559	0.5
101.02450	1.0
113.02463	1.0
119.03471	0.7
223.13414	0.5
315.99872	0.4
445.20984	1.5
488.25363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02662	1.7
59.01377	3.6
61.98833	100.0
66.47306	2.0
69.40623	4.6
69.41028	12.5
71.89073	2.1
78.17344	2.0
90.54461	2.2
116.55029	2.2
139.09801	2.0
175.69124	2.0
198.05931	2.3
327.88715	2.2
487.34323	52.7
488.34692	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	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
59.15347	1.1
61.98827	1.4
71.01387	4.3
71.60085	1.2
72.99326	1.7
75.00865	1.1
80.07901	1.3
85.02958	1.4
87.00885	4.4
88.98804	1.1
89.02438	2.2
96.96053	1.7
101.01836	1.4
101.02451	4.6
113.02435	2.0
116.92876	3.2
117.03459	12.7
119.05028	84.6
120.05365	3.9
128.03548	4.1
130.08781	1.7
145.02960	43.6
146.03282	3.0
161.04546	1.6
161.06026	1.4
163.04013	100.0
164.04385	3.9
171.07832	1.2
325.09296	13.9
367.10434	2.5
395.30652	1.4
473.96329	1.3
487.21460	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	19.4
59.01379	100.0
61.98825	40.8
71.01391	41.0
71.60997	3.6
72.99301	5.1
73.02942	14.2
74.02456	5.6
75.00881	7.8
79.95702	4.2
82.02969	5.3
83.01396	6.3
85.02959	34.8
86.02457	5.1
87.00875	16.5
89.00670	4.6
89.02450	25.9
93.03460	5.6
95.31839	4.4
96.96986	5.0
97.02956	4.4
99.00874	10.4
99.04534	5.1
99.05621	4.3
101.02443	43.9
102.02747	4.6
108.28413	3.9
111.04518	4.5
113.02451	47.9
115.92090	7.2
117.03481	8.5
119.03452	4.6
119.05016	7.5
123.08170	6.9
125.71499	4.4
127.05114	5.2
128.03534	63.5
129.10353	4.5
130.08722	5.3
134.03706	19.5
143.04633	14.1
145.02942	24.3
151.07617	23.4
153.06709	5.7
161.04538	9.1
161.09753	7.2
163.07593	10.1
165.09164	8.8
177.09248	4.5
179.10733	18.6
188.08467	6.4
193.05043	13.2
203.10765	52.5
204.11078	6.5
221.04787	4.1
221.11815	82.4
222.12215	11.6
227.03529	11.5
228.03888	6.3
241.11952	12.1
251.85988	4.4
255.02911	28.5
256.03329	11.5
272.08990	10.1
277.47147	4.9
283.02530	7.0
284.03168	24.4
285.03714	19.4
300.02631	6.1
306.07492	27.0
311.09885	10.1
398.59665	21.2
427.20947	5.5
451.48886	4.1
452.19937	5.8
487.24808	32.5
488.25073	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	487.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
58.00584	2.5
59.01380	56.2
61.98523	1.6
61.98834	30.1
69.03445	1.5
69.73064	7.5
70.89400	1.4
71.01386	35.0
72.99309	3.6
73.02919	1.6
74.02464	1.4
81.03452	2.2
83.01377	1.7
85.02950	8.3
87.00881	3.1
89.02450	32.4
95.01390	3.2
95.05020	2.0
97.02966	3.6
97.06560	1.1
99.11536	1.4
100.00432	1.4
101.02456	16.9
104.98396	1.8
111.04487	1.3
113.02457	12.9
119.03509	12.9
121.06604	1.6
123.04515	2.6
123.05650	1.2
123.08206	1.8
125.09718	4.3
137.09738	5.6
141.12846	1.7
143.03525	1.5
149.06046	1.5
161.04518	2.0
162.10458	1.4
163.11330	7.0
165.12878	1.3
171.10304	1.9
173.00945	1.4
174.01698	1.3
177.12868	1.5
179.05495	2.1
181.12250	1.8
185.11803	10.7
191.14447	10.7
192.14775	1.1
207.10268	4.5
209.11836	2.0
217.15871	1.3
225.11281	4.0
227.18097	1.2
245.19116	26.7
246.19376	1.8
268.00827	1.2
271.16940	3.5
285.06604	1.2
289.18106	93.0
290.18399	7.9
307.19150	100.0
308.19513	7.9
376.80093	1.4
396.78455	1.4
487.25482	91.2
488.25894	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	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73485	1.6
51.92060	1.7
55.01881	4.7
57.03440	8.3
59.01374	21.6
61.98828	34.3
69.50620	1.3
69.50985	13.9
71.01387	16.7
73.02950	4.3
75.00877	1.7
75.05530	2.0
82.88581	2.0
83.01380	2.1
85.02935	8.5
87.00883	3.2
88.04006	1.8
89.02447	11.3
98.19841	2.2
99.04529	1.8
101.00395	1.9
101.02440	11.8
105.04534	2.3
105.81216	1.7
110.82899	1.9
111.00847	2.1
113.02457	9.8
117.03452	23.3
119.03539	4.0
119.05029	22.2
123.04456	1.9
127.05127	4.0
128.03542	10.3
130.15157	1.7
134.03729	5.6
134.97794	1.8
137.69356	1.6
143.03522	2.2
145.02954	100.0
146.03279	3.3
147.04544	3.2
148.05310	49.4
149.06110	10.7
150.06837	2.7
159.04459	5.1
160.05266	2.3
161.02429	2.3
161.04645	4.1
161.06046	6.1
163.04019	32.4
163.06258	4.0
163.07651	66.4
164.07993	4.2
165.05489	2.1
166.08754	2.2
172.10941	2.5
174.03209	9.4
175.03975	6.4
175.07494	1.7
176.04753	6.6
177.05542	3.9
178.06342	7.8
179.05556	5.1
187.03998	8.4
188.04770	13.7
189.05605	9.2
190.02736	3.1
191.07112	9.1
193.08636	3.3
203.07092	5.0
204.07890	7.3
205.04958	4.4
206.05794	6.5
219.10222	8.7
221.06360	2.7
221.08220	33.3
222.08504	4.1
230.05820	2.8
235.06128	14.2
241.12003	2.4
245.08151	11.0
263.09232	47.9
264.09665	3.2
265.07196	8.4
307.08142	6.3
342.21375	2.3
367.10486	8.9
487.14835	3.3
487.25262	10.4
488.23489	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92376	0.4
57.03452	0.4
59.01378	5.0
61.98838	1.0
70.67868	1.1
71.01384	5.6
73.02949	1.0
75.00888	0.4
83.01414	0.7
85.02958	1.3
86.14721	0.5
87.00874	0.5
87.37867	0.5
89.02448	3.7
99.00890	0.5
101.02436	3.4
108.48547	0.5
113.02454	2.8
117.03474	25.1
118.03821	1.0
119.03532	1.3
119.05026	7.5
128.03531	0.7
129.03885	0.5
131.03526	0.6
133.93539	0.4
134.03752	0.5
143.03548	0.9
145.02957	100.0
146.03299	4.6
161.04562	1.7
161.06053	1.4
163.04012	15.5
164.04474	0.5
166.08784	0.6
179.05638	3.6
187.04036	3.0
190.87076	0.5
205.05011	2.2
221.06630	1.6
263.07651	1.1
265.07181	1.0
267.18387	0.7
279.60056	0.4
285.19397	0.5
307.08124	1.7
325.09229	0.7
367.10327	9.6
367.14590	0.3
368.10663	0.9
386.14511	0.4
470.22687	0.9
487.25082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31733	0.4
52.57817	0.3
54.51328	0.3
57.03426	0.4
59.01384	4.8
61.98830	0.4
69.73089	0.9
69.73505	1.9
71.01382	5.1
73.02951	1.1
83.01397	0.7
85.02943	1.9
87.00868	1.1
88.04018	0.4
89.02444	4.3
99.00855	0.5
99.04558	0.4
101.02444	3.0
113.02452	3.8
117.03471	25.9
118.03783	1.1
119.03495	1.6
119.05028	5.8
128.03555	2.3
131.03514	1.2
133.06601	0.8
143.03473	0.7
145.02959	100.0
146.03290	5.0
161.04567	2.0
161.06093	1.1
163.04021	10.2
164.04318	0.5
179.05566	2.0
187.03999	1.7
197.12973	0.4
205.05086	2.3
221.06683	1.4
235.06145	0.8
241.11903	0.6
263.07587	0.8
265.07199	1.3
307.08154	1.9
325.09567	1.0
367.10263	10.0
368.10693	0.9
469.23480	0.7
487.24414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30954	1.3
58.02979	12.1
63.94453	6.2
64.95250	21.0
71.01379	1.4
71.10291	2.3
74.02471	24.1
82.02982	2.4
86.02481	13.4
86.05254	1.4
86.99140	1.4
87.05648	7.1
90.00171	1.9
92.90121	1.5
97.04062	1.8
99.05639	18.9
100.00401	2.7
101.07187	3.3
102.05620	3.3
104.98380	9.1
106.99949	6.6
109.04048	2.0
111.05645	2.4
112.04032	2.1
116.01801	1.6
120.01210	1.8
125.03550	1.9
127.05152	3.4
128.03542	79.2
129.99748	2.2
135.05624	5.7
141.06677	4.1
143.04625	100.0
144.04987	3.2
145.06181	3.1
146.02806	2.4
146.04596	8.9
153.06689	5.2
160.00758	15.4
166.09850	4.0
167.04593	7.6
167.08244	3.9
171.07822	2.3
177.03384	5.4
179.04614	21.2
181.06169	4.3
185.05656	3.2
192.07718	2.2
197.05571	2.0
203.01349	2.2
210.08824	19.6
215.04953	1.9
228.06702	1.5
228.09868	1.9
231.04518	2.2
249.05614	3.1
254.07797	27.6
255.08092	2.0
272.08881	75.5
273.09180	4.1
288.06512	11.7
289.07086	1.7
306.07635	96.5
307.07959	6.6
360.07013	2.7
378.07983	25.6
379.08054	2.4
486.08884	2.9
501.90875	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	486.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.9
63.79568	0.6
69.65697	2.5
69.66116	1.7
76.07229	0.7
84.14204	0.6
88.04046	54.5
96.96021	0.7
98.20592	1.2
129.00497	0.6
147.08188	2.5
149.09714	1.7
150.93645	0.8
163.11275	2.6
187.11272	2.0
279.13980	1.1
280.14621	1.5
309.22305	1.7
321.18506	0.8
337.21732	100.0
338.22021	12.5
379.39432	0.7
436.78546	0.6
470.04694	0.6
486.26935	11.8
487.27243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91467	4.3
59.01389	53.5
61.98826	9.3
64.95245	19.2
71.01392	4.8
71.60998	6.3
73.01180	20.4
99.00947	5.4
104.98380	57.9
112.98811	17.1
123.86028	4.4
173.00922	21.9
174.01706	100.0
195.14848	4.0
217.01736	13.3
279.00049	13.5
358.21371	4.1
462.83597	4.8
485.32834	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24089	0.6
55.01862	0.8
57.03447	2.1
58.00607	0.8
59.01383	25.6
61.98830	2.2
69.62580	3.9
71.01385	24.1
72.99323	1.6
73.02956	7.8
78.95940	1.2
80.91679	1.0
83.01406	1.9
85.02956	8.8
86.00099	1.5
87.00876	6.1
89.02454	11.4
95.01400	1.3
96.96007	1.4
97.02927	0.7
99.00886	3.2
99.04525	1.2
99.92625	1.3
101.02447	17.0
108.29580	0.7
112.49192	0.7
113.02460	9.8
115.92085	2.9
116.92861	1.4
119.03507	4.4
125.02432	1.1
127.05142	1.3
128.03564	1.3
131.03499	5.0
143.03551	1.6
145.02936	0.8
145.06215	0.8
145.07727	1.8
146.04843	0.7
159.03070	1.2
160.06435	7.3
161.04596	8.2
161.07207	61.0
162.07576	2.4
164.40276	0.7
175.08763	22.7
176.09065	1.9
179.05656	1.3
187.08824	3.7
189.06700	92.3
190.07091	5.7
201.10379	1.4
202.07086	0.8
203.08273	23.1
204.08601	1.7
221.06688	8.2
222.12949	0.6
227.03520	0.7
229.09865	1.6
242.96106	1.0
260.66528	0.6
262.96466	0.9
277.11887	1.0
295.13895	0.7
305.11444	13.0
306.11862	1.6
323.12396	2.6
398.09604	1.0
416.31293	0.8
467.16638	2.2
478.10736	0.9
485.17719	100.0
486.18155	14.1
486.29468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14084	0.9
58.02973	10.4
59.01364	4.2
61.98820	3.8
63.94458	2.7
64.95251	1.8
66.03506	1.7
66.44884	0.9
68.46926	0.9
70.02979	1.0
71.01383	2.4
71.61250	1.6
72.00903	2.3
72.99314	1.7
73.01173	26.1
73.02951	1.0
74.00697	1.4
74.02478	29.5
75.00880	4.2
81.04568	1.4
82.02979	4.9
84.04550	2.3
85.04075	1.1
86.02489	10.9
86.06091	1.1
87.05657	6.0
88.04054	1.3
90.00181	2.5
97.04070	5.8
99.05651	19.4
100.00427	4.8
101.07192	3.0
102.00184	1.4
102.05605	3.8
104.98390	11.5
105.00125	2.9
105.03790	2.3
105.99654	2.9
107.06165	1.9
109.04063	4.1
111.05649	2.1
111.26086	1.0
112.04031	3.0
113.03595	1.6
116.01781	1.5
123.05638	2.0
124.04071	1.3
125.03574	4.0
125.07208	1.6
126.01965	1.4
127.05100	5.4
127.08762	1.1
128.03543	98.5
129.03886	2.4
130.03850	1.1
131.04640	1.0
135.05675	5.7
137.00972	2.9
137.07211	2.8
141.06720	6.0
143.04623	100.0
144.04962	2.7
145.06203	4.9
146.02820	1.6
146.04597	12.2
153.06694	6.4
155.08272	2.0
160.00755	16.4
166.09848	4.3
167.04611	5.7
167.08226	3.3
169.02679	1.4
169.06177	3.5
170.03265	1.2
171.04214	1.4
171.07771	3.9
173.00964	1.4
175.01840	5.0
177.03404	3.7
179.04634	23.9
181.06216	6.1
184.10971	1.7
185.03998	1.5
185.05650	4.0
192.07701	1.4
197.05681	6.6
199.07242	1.6
203.01305	2.3
203.04953	2.3
210.08850	23.5
215.04916	1.3
228.09743	1.8
231.04414	1.8
249.05626	2.0
254.07816	36.3
255.08025	3.0
272.08871	83.3
273.09222	4.8
286.05002	4.3
288.06586	16.0
289.06604	1.4
304.06110	13.5
306.07639	64.2
307.07886	4.0
346.10718	1.2
360.06775	2.4
378.07980	16.6
379.08511	1.7
400.69971	1.3
484.12015	13.7
485.12753	1.7
488.09955	1.1
499.48242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93349	0.5
70.13558	1.9
76.43642	0.4
78.95905	18.9
78.96368	0.9
89.48179	0.5
96.96960	1.2
111.84538	0.4
150.97986	0.6
152.99594	31.1
164.60716	0.4
165.77521	0.4
170.95993	0.5
171.00616	1.6
171.95667	0.5
227.03244	4.0
243.79771	0.5
245.04283	0.9
255.23294	100.0
256.23624	8.4
327.30426	0.5
391.22476	1.3
483.27295	50.6
484.27707	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	484.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30688	2.7
55.55602	2.5
58.02979	8.9
64.95248	3.9
68.56560	2.1
69.01098	2.3
70.40160	2.5
70.40508	7.5
73.01146	2.9
74.02475	24.3
82.02973	2.9
85.01371	2.1
86.02488	9.2
87.05642	4.8
90.00275	2.8
93.99809	2.6
99.05637	17.3
100.00396	3.8
104.98398	24.6
112.04099	2.5
117.10368	2.2
127.05157	3.1
128.03543	77.1
135.05687	6.5
136.95639	4.3
141.06660	2.9
143.04630	88.1
145.06226	3.8
146.04587	7.7
153.06616	3.6
157.44423	2.8
160.00719	18.4
166.09863	4.7
167.04643	4.8
169.06142	2.4
171.07808	3.4
172.63951	2.8
179.04639	13.1
181.06171	4.0
185.05695	4.4
199.07129	2.6
203.01312	3.2
210.08809	16.8
228.09818	3.2
254.07837	28.9
255.07988	2.9
272.08881	75.1
273.09268	3.4
280.82712	2.8
288.06650	8.7
306.07645	100.0
307.07758	6.4
360.07025	3.0
371.74512	2.4
378.08011	52.7
379.08231	6.2
411.06018	4.4
471.73514	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	483.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
57.03448	12.7
58.00578	1.6
59.01384	100.0
61.98832	10.7
71.01385	49.9
71.61160	2.3
72.99295	2.0
73.02951	21.2
75.00876	2.7
83.01391	12.1
84.70880	1.4
85.02959	26.0
87.00883	4.8
89.02437	9.9
95.01407	2.6
96.96883	1.4
99.00903	6.5
99.04518	8.5
101.02450	58.8
101.18126	1.3
102.02787	2.5
104.98371	1.5
109.84183	1.6
111.00879	1.9
113.02451	20.7
115.92130	1.5
117.50735	1.3
119.03558	1.5
125.02473	6.0
128.03528	1.5
131.03505	25.9
143.03564	3.1
159.03021	3.1
161.04559	14.6
209.57195	1.4
256.19809	1.4
277.16562	45.6
278.16873	4.2
291.18158	69.9
292.18460	5.6
292.32709	1.3
306.07681	1.6
340.30872	1.4
423.22369	91.5
424.22946	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	483.028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	59.5
61.98826	19.1
70.81841	16.0
70.82179	12.7
71.01347	12.9
73.01169	10.9
85.02909	9.0
96.83599	8.7
99.00871	22.2
102.96835	41.3
103.97583	10.6
112.98830	65.1
142.99826	34.3
144.39748	8.6
158.56656	8.7
173.00891	100.0
174.01579	18.5
245.01216	15.1
247.02728	18.4
334.88620	10.1
484.23975	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	483.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41056	1.0
55.74431	1.1
59.01382	5.0
59.08360	0.9
61.98831	4.9
69.31097	2.8
69.31508	8.4
71.01377	3.9
85.02947	2.0
87.00870	5.7
89.02449	3.2
101.02444	2.8
106.06596	1.4
108.04556	3.2
110.02473	1.4
110.06149	2.3
113.02489	1.6
115.00316	1.3
119.03491	1.5
122.06132	6.0
128.03508	1.8
133.06453	1.2
134.06105	17.2
135.06911	3.7
136.07642	5.3
138.05659	1.9
139.06284	1.1
140.07170	24.5
149.04803	7.9
150.05585	2.4
152.07175	4.8
162.05608	15.6
163.06329	2.2
164.03532	6.5
164.07162	13.3
166.05165	5.1
167.05881	4.1
176.07104	1.6
229.09827	3.8
255.11377	2.4
257.09369	7.5
261.12405	10.3
273.12491	2.7
285.12454	13.4
302.12521	2.3
303.13486	100.0
304.06232	1.8
304.13718	8.4
465.18753	51.2
466.19083	6.0
483.19733	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	482.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30584	1.6
51.62009	1.6
57.03447	87.9
59.01379	82.1
61.32638	1.6
61.98830	13.1
62.64141	1.7
69.52001	12.7
71.01382	28.8
72.99312	2.2
73.02953	11.2
75.00873	2.6
78.95905	4.0
81.03484	2.2
83.01398	6.0
85.02945	13.1
87.00869	34.8
89.02438	14.5
94.98085	2.2
95.01382	4.1
96.96017	5.6
96.96959	9.3
99.00857	3.5
99.04517	100.0
101.02444	36.9
111.00874	3.3
113.02460	16.1
115.00355	1.7
119.03516	5.2
125.02441	42.7
129.01920	3.3
130.06584	2.0
143.03482	3.8
158.06120	4.5
159.02939	3.2
161.04543	15.8
170.04312	1.8
176.07141	14.0
179.05632	4.6
321.19333	2.9
356.64935	1.9
400.95004	1.8
402.58957	2.1
482.09058	2.0
482.16660	2.0
482.26703	3.5
483.24500	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2549
Annotation	Sczukitine
Peak:m/z	Relative Intensity
51.79422	0.6
54.36348	0.8
59.01379	2.8
61.98830	4.5
63.96236	0.6
66.03472	1.1
66.78449	0.5
68.99821	17.6
69.58181	2.1
69.58602	2.5
70.99608	2.7
72.99198	0.7
73.01169	4.4
75.00788	0.8
77.98497	0.7
79.93932	1.2
83.00146	4.0
83.01390	2.0
86.02465	1.5
89.00679	4.1
89.83627	0.6
94.02985	1.6
96.00903	0.9
96.96069	0.7
96.99318	8.0
98.02501	0.7
99.00900	4.1
104.98387	5.6
107.03735	1.0
109.01701	15.6
110.02522	5.3
111.25241	0.7
112.00414	0.9
113.01192	7.9
114.01988	2.3
120.97915	1.0
122.02483	1.9
124.00378	1.7
126.02006	1.8
128.03549	1.7
130.06631	2.0
130.08736	1.5
135.03259	2.6
142.99933	0.6
146.06099	1.4
152.05411	1.6
161.00951	1.0
166.03270	1.0
167.02310	0.8
173.03302	11.7
174.05559	0.8
184.02534	0.9
185.02766	0.6
186.04060	0.9
190.05052	0.7
198.05960	0.7
216.06657	1.9
251.08000	1.5
276.08765	2.1
340.36646	0.7
345.00568	1.7
394.23953	2.0
404.22351	1.2
409.95563	0.9
422.23334	13.0
423.23721	1.8
482.25497	100.0
483.25699	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	481.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.1
58.00593	1.7
59.01096	1.9
59.01382	35.8
61.98827	5.7
69.26794	7.6
69.27223	3.9
71.01376	20.4
72.99297	4.8
73.02929	1.4
80.91692	1.1
81.77581	1.5
85.02955	6.4
87.00855	2.9
89.02445	21.5
94.06623	1.2
95.01360	3.0
99.00939	1.1
99.04511	4.8
101.02451	10.7
106.06618	2.3
113.02457	12.6
119.03505	7.1
122.06100	3.7
124.07693	5.5
125.02420	2.3
132.04585	6.0
134.06044	1.0
135.70728	1.1
136.07658	6.3
138.05597	1.1
143.03467	1.5
161.04541	2.0
179.05580	1.7
200.09583	5.2
212.09505	10.2
212.42863	1.1
213.10196	3.6
214.10991	6.6
215.11884	31.8
216.12274	2.5
218.11865	2.5
225.10234	3.0
226.11108	12.3
227.11891	58.6
228.12161	4.5
229.13455	26.9
230.13750	2.4
239.11905	4.6
240.08875	1.4
242.10484	3.8
255.11310	3.5
257.12967	75.3
258.13333	5.9
259.10825	13.7
260.11066	1.3
273.12430	2.4
275.13919	3.4
283.10822	1.9
284.11575	3.1
285.12299	3.6
301.11923	50.1
302.12256	4.6
315.13501	9.8
319.12976	100.0
320.13327	6.7
322.15991	1.3
343.13013	13.3
344.13013	1.4
361.14020	11.4
362.14432	1.4
421.16013	5.3
462.95999	1.3
463.17273	3.2
481.18121	73.9
482.18549	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43936	0.9
61.52094	1.2
62.36272	0.9
67.97759	0.9
69.35171	8.1
74.14697	0.9
74.54173	1.0
78.95902	47.9
79.33195	1.0
81.68336	1.0
81.73322	1.0
96.96967	3.3
150.98012	1.1
152.99590	59.7
171.00645	15.8
227.03276	3.6
245.04305	100.0
246.04645	3.5
253.21724	61.0
254.22041	7.1
422.61212	1.2
481.25699	40.1
482.25800	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	481.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.7
59.01099	2.0
59.01381	38.5
59.05803	1.0
61.98837	7.7
71.01385	26.8
71.60920	1.3
72.99300	3.8
80.05037	1.4
80.91660	1.4
83.01374	2.1
85.02947	8.0
87.00848	2.5
87.38817	1.2
89.01906	1.9
89.02444	23.8
95.01376	3.7
99.00882	1.3
99.04507	1.5
99.92605	1.3
101.02439	12.5
106.06607	2.3
110.06043	1.2
113.02457	12.7
119.03500	8.6
122.06152	1.8
124.07670	6.0
125.02427	1.5
132.04535	4.1
136.07684	7.0
143.03459	1.6
143.04645	1.1
161.04478	2.5
161.07201	1.1
163.03909	1.2
175.03986	1.4
179.05591	2.9
180.06618	1.3
198.07823	1.9
200.09492	4.7
209.11893	1.6
212.09470	7.6
213.10243	2.4
214.11015	5.5
215.11893	32.6
216.12151	1.6
218.11876	2.5
225.10231	2.0
226.11113	14.8
227.11888	59.3
228.12219	4.2
229.13432	27.8
230.13809	1.7
239.11905	3.3
240.09074	1.6
241.09697	1.7
241.13417	1.6
242.10516	3.8
255.02789	1.6
255.11317	4.8
257.12955	81.3
258.13251	8.0
259.10913	14.9
260.11200	1.5
267.11420	2.2
268.12143	1.2
269.12885	1.6
273.12375	3.8
275.10428	1.2
275.13950	3.8
284.11578	4.5
285.12292	3.8
301.11926	57.2
302.12146	4.2
315.13574	8.9
319.12979	100.0
320.13394	8.1
343.12952	13.7
361.14117	17.2
392.59628	1.5
393.08307	1.8
421.16183	5.4
422.16571	1.6
463.17151	2.2
481.18082	66.3
482.18668	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	481.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.5
59.01382	18.1
60.70255	0.9
61.98833	5.3
71.01056	1.1
71.01387	7.4
71.60445	1.5
75.00842	1.2
85.02962	3.8
87.00887	1.8
89.02449	3.7
95.01424	1.5
99.00849	1.3
99.04524	8.8
101.02468	3.5
106.06639	1.2
109.02867	1.2
111.00891	1.1
113.02434	3.5
115.00395	1.4
115.92094	3.2
119.03547	1.0
119.05040	1.7
120.04545	1.9
124.07648	5.6
125.02465	4.1
132.04568	4.9
134.06166	1.2
136.07671	7.5
137.23759	1.0
139.04018	3.5
150.09312	1.2
163.04030	1.1
165.01872	1.1
174.14464	1.1
177.96620	0.8
200.09543	2.1
212.09550	3.8
213.10320	2.7
214.11081	6.1
215.11916	13.6
218.11961	5.5
218.13853	1.1
226.11092	4.8
227.08394	1.6
227.11891	34.2
228.12326	2.7
229.13457	27.1
230.13803	2.0
239.11916	4.4
241.09782	1.2
242.10646	3.9
255.11397	2.6
257.12976	48.9
258.13300	4.5
259.10916	5.0
260.11176	1.0
269.13135	1.3
275.13916	6.1
284.11676	1.8
285.12433	2.3
287.13901	1.3
301.11984	16.8
302.12399	1.4
315.13522	8.3
319.12985	100.0
320.13345	9.5
343.13016	8.2
344.13165	1.3
345.08167	1.9
361.14093	24.5
362.14462	2.9
391.15149	1.5
421.16406	1.8
446.20413	1.4
463.17130	3.9
481.18408	5.6
486.05191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08876	2.4
56.72300	2.2
57.03453	100.0
59.01383	99.6
61.98829	20.8
69.45382	18.9
71.01392	16.7
75.00884	6.6
81.03472	4.5
82.05878	2.2
83.53036	2.2
85.02958	6.4
87.00880	8.6
89.02461	9.2
91.06014	2.8
91.16044	2.3
93.03470	2.7
99.00884	4.0
99.04523	81.0
101.02457	23.1
106.06617	2.4
113.02451	9.7
119.03559	4.2
119.05111	3.3
124.07712	3.4
125.02454	32.8
130.44083	2.3
132.04559	5.6
136.07671	3.1
137.02428	2.6
161.04614	4.5
163.03981	7.3
200.09425	3.6
213.10243	6.1
214.10898	3.8
215.11873	15.0
222.04614	2.8
227.11794	12.1
229.13409	18.2
235.37045	2.4
239.11891	11.2
241.09920	2.9
242.10672	3.1
256.12158	8.7
257.12961	80.7
258.13275	3.4
258.66678	2.7
259.10834	9.9
291.38754	2.6
300.02551	2.9
300.11166	4.3
301.12054	11.6
315.05093	5.4
319.08456	3.3
319.12970	4.1
419.18231	8.0
463.17212	37.0
464.17935	3.9
481.18634	18.4
482.18451	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
59.01123	0.7
59.01382	6.7
61.01029	0.7
71.01380	5.4
73.02947	3.9
82.01967	0.6
85.01030	7.7
85.02969	3.3
87.00868	1.2
87.04527	0.9
89.02444	22.4
90.02823	0.6
95.01357	0.6
97.02934	0.5
98.19915	1.3
99.04518	1.2
99.08154	1.0
101.02437	2.7
101.51324	0.5
103.01041	0.5
103.03999	1.5
113.02447	6.0
115.02068	1.7
118.34705	0.5
119.03493	0.5
125.02444	1.6
127.02068	0.9
127.31512	0.5
131.03514	5.6
143.05209	5.1
145.03143	2.7
149.04549	46.5
150.04886	1.7
157.03105	3.3
161.08162	1.0
175.04190	1.4
187.04112	1.5
187.07779	1.0
205.05118	0.6
217.05254	0.7
223.68626	0.5
245.04817	1.8
247.06444	0.7
337.09372	2.5
349.13077	10.9
350.13342	0.7
419.17065	1.0
481.17368	100.0
482.17770	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	481.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60091	0.5
59.01368	1.5
60.16135	0.5
60.94785	0.6
61.49068	0.5
61.98827	2.9
70.02484	0.9
70.02898	1.6
75.02739	1.4
75.03159	0.6
78.95903	1.1
79.95755	0.7
89.02458	0.9
95.93458	30.5
96.94250	2.9
99.04497	0.6
110.07245	0.7
138.98938	100.0
139.99194	1.8
147.04535	0.8
152.90288	0.5
154.02744	0.5
164.07187	1.9
296.69702	0.7
481.24625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01696	1.5
61.98821	5.9
64.82758	1.7
70.16083	5.6
70.16474	3.7
71.01389	4.5
85.02938	2.2
89.92316	1.6
99.00868	8.3
99.15477	1.6
101.00654	2.0
108.02211	2.3
109.02975	2.4
111.00903	5.5
112.98834	22.4
129.00177	6.0
142.99901	31.6
145.01430	3.9
152.01146	6.0
155.04533	1.8
162.91243	1.9
173.00916	47.3
174.01529	6.9
175.02548	12.7
245.01306	14.3
247.02615	2.9
258.26740	1.9
361.09058	1.9
408.32974	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	480.3098
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
50.75702	0.4
51.17565	0.4
61.98835	20.3
70.92867	0.8
78.95910	18.8
93.77808	0.4
117.86923	0.5
122.00124	0.6
140.01196	4.7
141.50595	0.4
152.99606	1.8
196.03801	9.8
214.04919	2.3
283.26431	100.0
284.26782	10.0
397.40570	0.5
480.30960	28.8
481.31158	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	480.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
57.03432	10.3
58.00607	4.1
59.01379	60.5
61.98834	30.2
65.33261	2.9
67.01876	3.7
69.03458	2.8
71.01382	71.1
71.02503	6.7
71.60873	4.2
72.99306	14.6
73.02942	10.1
73.04047	9.2
75.00871	16.6
83.01376	6.1
85.02954	72.7
87.00874	13.6
88.04030	17.6
89.02431	15.2
95.01382	21.1
96.96960	3.8
99.00876	38.1
101.02460	17.9
103.00347	6.0
103.05097	4.7
107.01365	6.2
111.00878	3.5
113.02451	95.6
115.00375	34.4
116.00700	4.6
116.05028	4.4
117.01928	6.9
117.03452	4.4
119.03458	3.0
119.05035	6.1
129.01918	8.4
129.10329	12.2
130.10704	3.5
132.02148	10.9
132.03067	15.3
134.03735	16.4
135.04515	7.1
136.01649	4.2
145.02942	8.5
146.06155	4.8
147.04539	3.9
151.00375	7.9
157.01387	3.3
160.01656	36.9
161.02361	11.4
161.72336	3.2
164.07170	5.7
164.11650	4.4
165.07512	3.3
167.05740	5.4
175.02467	14.9
175.03975	41.2
176.04285	5.3
179.03470	6.5
181.12260	9.4
182.12675	5.4
186.12451	35.2
187.12778	9.9
193.03540	3.2
193.05000	18.6
199.13402	4.5
207.10269	16.8
208.10574	8.3
211.04050	3.3
224.12796	4.7
225.11235	15.8
226.11652	10.5
227.03503	55.1
228.03867	6.1
229.05016	6.0
243.12375	18.2
244.12669	8.7
255.02966	100.0
256.03479	21.0
257.04578	5.6
283.02499	17.0
284.03223	80.6
285.03989	74.5
286.04230	9.5
315.18188	11.7
316.18536	11.6
317.19650	4.2
318.19714	3.8
321.09726	5.1
333.19257	8.4
334.19485	10.9
346.19525	3.7
353.36322	3.1
363.20303	13.5
364.18854	15.0
365.19006	27.8
366.18744	3.5
392.09344	85.1
392.59534	30.7
393.09775	8.7
398.59415	10.8
400.08881	4.3
433.52075	3.3
457.23447	3.8
462.20203	3.2
479.20755	20.6
479.25067	36.7
480.08942	3.7
480.20477	81.9
481.11377	5.9
481.20898	5.0
481.26773	5.5
485.00479	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	480.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.1
57.03448	9.2
58.00580	3.0
58.28602	3.0
59.01091	4.1
59.01379	55.0
61.98834	22.5
67.01895	2.7
71.01384	68.3
71.02519	6.1
72.01715	5.1
72.99316	11.4
73.02932	6.7
73.04073	6.6
75.00883	13.0
80.22993	2.4
83.01393	5.3
83.05035	3.6
84.32367	2.7
85.02953	60.0
86.03308	2.8
87.00869	15.6
88.04034	15.8
89.02461	14.1
91.19885	2.9
95.01361	21.0
97.02957	4.1
97.06638	2.5
98.20646	4.6
99.00885	32.5
99.04533	3.2
101.02464	10.1
103.00353	7.2
103.05100	5.2
107.01391	5.0
109.03030	3.8
113.02452	90.9
114.02840	3.5
115.00385	33.2
116.00755	3.0
116.05079	5.6
117.01950	6.9
117.03472	3.3
119.05063	2.5
121.02916	3.1
125.02477	3.2
129.01973	5.7
129.10326	11.6
130.10690	3.0
132.02164	9.5
132.03018	16.9
133.02910	3.2
134.03754	21.9
135.04526	7.1
139.00456	3.2
145.02957	6.5
146.03281	3.1
146.06113	7.3
147.04472	6.0
149.06128	3.4
151.00345	6.6
151.08765	4.3
160.01659	38.0
161.02242	5.2
163.11325	4.9
164.07201	8.4
167.05788	4.8
168.11526	4.3
175.02498	10.7
175.04004	46.5
176.04446	3.5
178.02779	3.8
179.03452	7.8
181.12335	9.7
182.12712	4.9
183.04547	3.7
186.12500	31.0
187.12820	12.8
193.04932	15.7
199.13390	4.4
201.05629	2.8
207.10291	11.9
208.10597	8.2
211.04059	6.1
224.12801	5.8
225.11287	20.7
226.11635	11.6
227.03493	57.4
228.03893	8.0
229.05028	6.5
229.36470	2.6
241.13574	3.0
243.12350	15.3
244.12663	8.8
255.02985	100.0
256.03397	19.3
257.04410	5.1
258.16150	3.2
272.02759	3.9
283.02545	18.9
284.03247	98.8
285.03955	84.6
286.04321	9.3
299.01984	8.0
300.02414	7.5
315.18164	11.7
316.18625	14.6
317.19608	5.2
318.20074	5.3
321.09775	4.4
333.19315	9.4
334.19550	14.6
363.20514	13.8
364.20212	14.8
365.18976	27.0
392.09293	69.4
392.59485	24.3
398.09302	6.0
398.59464	12.3
399.09796	4.5
399.58859	3.7
435.22522	3.5
436.22699	4.1
463.08255	3.0
479.20959	15.2
479.24918	38.0
480.08664	13.6
480.21756	83.4
480.25726	28.4
481.11081	4.8
481.21521	8.6
481.27048	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	480.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
58.02967	1.1
59.01374	4.6
61.98834	100.0
64.95252	0.8
70.99619	2.0
71.01390	2.3
73.01176	16.9
73.02955	0.6
74.00719	1.7
74.02482	3.9
79.55589	0.5
82.03011	0.8
83.01401	0.7
85.02984	0.8
86.02493	1.4
87.00890	0.9
87.05608	0.9
97.04116	0.7
99.04539	0.5
99.05653	2.9
100.00414	4.6
101.00672	43.3
102.05629	1.1
104.98404	2.0
113.02499	0.7
123.00919	0.8
127.05189	0.7
128.03545	14.7
134.99437	4.5
136.95612	4.3
137.01018	4.9
138.03282	1.2
138.05464	0.6
138.92410	0.5
139.03630	0.6
141.06743	0.7
143.03525	1.1
143.04636	14.5
145.06233	0.8
146.04631	2.1
149.16948	0.6
153.05630	0.7
160.00748	2.2
167.04675	2.1
169.06184	2.9
175.01755	2.9
179.04601	3.2
184.10710	0.6
185.05743	0.8
197.04559	0.6
200.95418	5.7
203.05009	1.9
210.08931	2.6
249.03798	2.2
254.07793	4.7
272.08844	12.4
273.09302	0.8
284.03442	0.7
286.05084	2.9
288.06705	1.6
290.93896	0.6
304.06125	4.7
306.07648	15.0
307.07983	0.9
378.08017	7.8
433.46350	0.6
480.18582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2499
Annotation	glas#16
Peak:m/z	Relative Intensity
51.99838	0.4
55.01870	0.9
57.03440	1.4
59.01380	9.8
66.32896	0.4
69.03443	0.6
71.01381	9.5
72.99306	4.5
73.02962	3.0
75.00870	0.6
80.46133	0.4
83.01405	1.2
83.05014	2.5
85.02958	5.0
87.00885	1.4
87.04531	1.5
89.02441	2.5
95.01395	1.5
98.19843	0.9
98.73386	0.4
99.00893	1.5
99.04456	0.5
101.02444	5.9
104.04368	0.4
111.04491	2.1
113.02453	4.8
116.12302	0.4
119.03519	1.1
125.02451	0.6
134.76437	0.4
145.02879	0.5
151.00293	0.4
152.67461	0.4
159.02979	0.4
160.01659	1.0
175.02544	0.7
175.03979	0.7
187.13455	0.8
227.03537	0.9
229.61034	0.6
235.16974	0.7
253.18166	1.0
255.02994	1.7
271.19165	0.5
279.96097	0.4
284.03128	2.0
285.04108	1.8
299.02042	0.6
299.18600	3.3
316.02151	0.6
317.19617	5.3
318.20135	0.6
332.03464	0.5
359.20648	0.5
376.06082	0.5
386.64398	0.4
392.09131	2.4
461.24213	1.0
479.24991	100.0
480.25305	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	480.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70903	4.1
59.01382	6.5
61.98825	17.9
63.94438	3.4
64.95252	4.5
66.51453	4.0
70.99606	33.6
73.01167	100.0
76.97049	5.1
78.95904	61.5
79.93980	11.1
83.10424	4.0
89.00668	74.6
96.96957	5.4
97.09830	4.1
102.96819	9.4
104.98381	57.4
115.00349	4.1
120.97859	19.7
136.95641	6.3
142.99915	5.9
152.05388	35.6
152.99580	95.7
153.99979	7.4
171.00601	4.4
184.02617	24.1
410.72635	4.1
462.61667	4.8
463.29697	4.5
479.20511	5.7
480.20532	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	479.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81521	0.8
55.01888	1.5
57.03455	6.4
59.01381	19.8
61.98832	14.4
69.03493	0.8
71.01389	10.2
71.05013	3.6
71.61255	1.0
72.99301	2.7
73.02933	2.0
75.00880	1.4
83.01369	1.5
83.05016	1.5
84.95074	0.7
85.02959	4.5
87.00865	2.7
88.04028	0.7
88.98811	1.4
89.02445	5.5
95.01381	1.6
97.02951	3.0
97.06597	1.9
99.00249	1.0
99.00879	18.4
99.01984	0.7
99.04514	5.5
101.02441	7.8
104.75352	0.7
109.02923	1.0
109.93559	0.7
113.02449	5.8
115.00381	1.4
116.92872	0.7
117.03446	0.9
118.96188	0.7
119.03498	1.5
120.99623	1.8
123.08150	1.4
124.46606	0.7
125.02442	1.9
125.09725	5.7
129.10321	0.8
130.08722	0.7
132.02988	0.9
137.02440	1.1
142.02634	0.9
145.02942	1.6
151.00313	1.3
152.01154	1.2
153.01936	1.0
155.10735	0.9
155.14401	0.9
161.04561	1.6
163.11273	8.3
165.01909	1.7
175.03970	0.9
178.99719	0.9
179.05502	0.9
181.12343	17.1
182.12627	0.9
199.13382	13.6
207.10257	27.8
208.10655	1.0
225.11305	46.5
226.11613	3.4
227.03442	1.0
243.12361	31.0
243.14853	1.8
244.12624	2.3
253.09285	3.3
255.02898	2.2
259.14560	1.3
273.07562	2.7
273.12592	1.2
284.03226	3.2
285.03918	1.9
288.25717	0.8
299.05637	2.2
299.18570	1.5
301.03506	1.4
302.03973	1.4
303.04083	2.2
317.06598	3.0
317.15906	2.2
317.19559	1.5
335.16968	1.1
364.18890	1.0
367.54700	0.8
392.09238	1.7
398.09323	1.7
461.19693	1.4
479.20761	100.0
480.20950	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	479.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32611	0.8
56.93460	0.8
57.03448	2.3
59.01388	12.4
61.98837	5.4
63.37524	1.1
69.49349	2.2
69.49765	5.0
71.01382	26.3
71.02487	4.8
71.05055	0.8
72.00916	1.1
72.99313	2.4
73.02952	2.1
73.04062	7.0
75.00864	3.1
83.01395	1.6
83.05048	1.3
85.02954	7.6
87.00887	3.1
88.04038	15.4
89.02457	3.6
95.01393	3.0
97.02969	1.7
99.00890	11.4
99.04528	1.9
101.02437	7.9
103.05146	3.0
110.03605	2.0
111.04526	0.9
111.06292	0.9
113.02456	11.8
115.00372	27.5
116.00691	1.2
116.05075	2.2
119.05058	1.5
125.09721	2.8
125.51351	1.1
129.01942	1.2
129.10347	12.1
132.02086	2.1
132.03027	16.0
134.03697	1.6
135.04506	4.0
136.01649	1.1
140.07265	1.1
141.10353	1.8
145.02884	1.6
146.06113	5.3
147.04520	1.9
151.08777	1.6
160.01669	2.9
160.95032	0.8
161.02475	1.3
161.04582	1.2
163.08742	1.8
163.11264	5.0
164.07167	5.7
167.05763	4.7
167.10594	2.4
168.11436	3.5
169.09825	2.0
175.02576	1.2
175.04024	2.6
178.99788	0.9
179.03523	3.8
179.05685	1.3
181.12337	10.0
182.12639	0.8
186.12477	32.4
186.14149	1.8
189.93025	0.9
193.05034	1.6
197.11774	1.0
198.12677	0.9
199.13400	7.4
207.10234	14.3
208.10641	0.9
215.15594	1.0
224.12729	4.3
225.11305	25.9
226.11687	1.5
227.03476	6.4
233.16611	1.2
241.13431	3.7
242.11775	2.3
243.12361	21.0
244.12804	1.3
255.02980	11.5
258.16211	2.2
261.08731	1.5
271.02344	1.4
276.17407	1.0
283.02527	1.6
284.03238	10.4
285.04034	8.2
299.01953	2.4
299.18655	1.8
315.18274	14.5
316.02072	1.2
316.18567	1.6
317.02905	1.0
317.19754	3.3
327.18036	1.1
333.19312	15.7
334.19415	1.2
345.19342	3.4
357.14426	1.2
363.20358	23.1
364.18692	34.9
365.18979	4.8
392.09286	9.6
398.09341	3.8
405.21347	2.5
435.22430	4.5
436.23352	1.0
461.20364	2.0
479.10431	2.5
479.20654	100.0
480.21033	16.4
496.22296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	49.0
59.01381	53.7
61.98832	100.0
65.54517	1.2
65.73415	1.1
69.18786	1.3
70.99554	1.2
71.01382	8.7
73.01176	2.0
73.02940	1.9
75.00871	1.4
79.87643	1.2
79.95728	1.3
81.03443	2.9
83.01392	2.5
85.02937	5.8
85.56717	1.1
87.00854	1.9
89.02432	3.1
96.95981	1.5
99.04520	51.0
100.04844	2.2
101.02437	12.5
104.98381	3.4
106.45264	1.1
112.67803	1.1
113.02450	2.7
117.03436	1.5
121.02915	1.4
123.04485	1.4
125.02445	18.5
127.05183	1.2
128.03467	1.2
134.06146	9.3
138.05577	4.5
143.03546	1.9
143.04613	3.3
145.02950	2.6
151.00371	1.5
161.04517	3.1
168.98201	2.4
173.00935	1.5
175.02478	1.2
178.05110	7.2
187.06422	1.5
192.06671	2.2
220.06023	2.2
249.13431	1.7
254.07582	1.2
255.02946	2.9
272.08875	2.7
273.12430	6.8
275.10776	1.5
277.12283	2.8
284.03134	2.0
285.03891	2.4
317.11581	5.7
328.52570	1.4
340.10159	1.5
401.49243	1.5
479.11255	3.5
479.18280	2.5
479.25217	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98827	4.7
71.01374	4.7
71.61565	3.6
94.52926	2.6
101.02450	3.6
113.02449	5.0
119.03506	3.4
138.36563	3.3
185.83658	2.6
194.25891	2.9
205.17923	3.0
214.95499	2.7
255.23318	86.8
256.23694	8.8
269.24756	3.2
300.99860	6.2
301.03220	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	477.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21236	0.6
57.03468	4.2
59.01381	4.5
61.98832	100.0
66.25616	0.5
66.54280	0.5
99.04505	3.2
101.02442	1.0
125.02438	0.7
130.12619	0.5
149.94577	0.6
161.31152	0.5
169.61989	0.5
188.34233	0.7
195.45789	0.6
229.67523	0.6
229.73930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56553	0.4
57.03478	0.4
59.01374	3.1
61.98832	100.0
69.49924	1.4
69.50356	1.7
71.01389	0.8
75.98987	0.4
77.82593	0.3
85.87182	0.4
86.48254	0.4
86.77861	0.4
87.00897	0.6
89.02473	0.6
101.02451	0.9
104.98384	0.5
113.40023	0.4
155.10826	1.0
160.12343	0.4
171.69339	0.3
199.09822	0.5
208.52220	0.3
272.09039	0.4
273.94672	0.4
477.19748	0.7
478.20490	0.9
500.06601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01378	2.4
61.98830	100.0
64.48232	0.4
64.53979	0.4
68.97704	0.3
69.27663	3.6
71.01389	1.2
72.99321	0.4
73.02979	0.5
73.04089	0.7
87.05637	1.0
89.02435	0.7
96.00916	0.5
96.96014	0.5
100.14239	0.3
101.02449	0.8
109.40724	0.4
116.92939	0.4
121.64857	0.3
127.05169	0.7
132.54671	0.4
144.07803	1.8
147.04533	0.5
151.08791	0.4
154.09932	0.5
162.49527	0.3
164.07185	0.9
172.10869	2.7
218.41537	0.4
234.23862	0.4
418.17203	0.7
448.22134	2.2
460.21982	0.7
478.23029	5.5
479.24451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
57.88330	0.4
59.01372	7.4
60.01715	0.7
61.98830	100.0
71.01400	2.1
71.61204	0.6
72.99300	0.5
85.02951	0.7
87.00896	0.4
89.00751	0.4
89.02431	0.9
99.00912	0.5
99.04548	1.0
101.02471	1.1
109.02986	0.7
111.69797	0.5
112.98864	0.6
113.02471	0.8
120.01257	0.4
122.65723	0.4
134.06148	1.2
142.99883	0.5
178.05022	0.6
192.25861	0.4
255.03072	0.6
271.02502	0.7
272.02887	1.2
285.04053	0.5
299.01950	0.5
300.02380	1.2
302.03867	0.5
314.04199	1.1
315.04788	1.7
316.05429	0.5
353.73788	0.5
386.18845	0.6
389.64301	0.5
402.86969	0.4
478.10297	3.4
479.11758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72952	0.3
55.77642	0.3
63.88187	0.3
69.32132	1.6
69.32565	1.5
71.51630	0.3
78.95906	4.7
96.76627	0.3
98.20652	0.7
140.01173	1.6
147.82578	0.3
152.99504	0.5
194.82291	0.3
196.03806	1.3
210.96530	0.4
214.04852	2.0
230.29121	0.4
281.24854	100.0
282.25195	8.5
440.60077	0.3
478.29364	8.7
479.29791	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	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.6
63.09987	0.4
68.06228	0.4
70.63477	1.2
78.95904	21.7
116.92882	0.4
122.00163	1.0
140.01187	4.8
152.99574	2.0
191.05170	0.4
196.03793	8.6
214.04868	1.9
251.20148	0.5
253.24991	0.5
280.23599	0.4
281.24841	100.0
282.25189	10.5
338.91904	0.4
394.51868	0.4
478.29385	27.2
479.29565	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	479.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55422	0.6
63.96244	2.1
69.74252	2.2
69.74678	1.1
73.01172	10.2
73.02991	0.5
79.93976	0.6
95.93459	16.1
96.94250	0.7
96.96072	0.6
116.99673	0.6
136.97371	100.0
137.97696	1.2
181.07719	0.6
185.70750	0.6
248.64272	0.6
350.79721	0.6
355.99948	0.6
381.12827	1.0
385.31241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	49.0
59.01381	53.7
61.98832	100.0
65.54517	1.2
65.73415	1.1
69.18786	1.3
70.99554	1.2
71.01382	8.7
73.01176	2.0
73.02940	1.9
75.00871	1.4
79.87643	1.2
79.95728	1.3
81.03443	2.9
83.01392	2.5
85.02937	5.8
85.56717	1.1
87.00854	1.9
89.02432	3.1
96.95981	1.5
99.04520	51.0
100.04844	2.2
101.02437	12.5
104.98381	3.4
106.45264	1.1
112.67803	1.1
113.02450	2.7
117.03436	1.5
121.02915	1.4
123.04485	1.4
125.02445	18.5
127.05183	1.2
128.03467	1.2
134.06146	9.3
138.05577	4.5
143.03546	1.9
143.04613	3.3
145.02950	2.6
151.00371	1.5
161.04517	3.1
168.98201	2.4
173.00935	1.5
175.02478	1.2
178.05110	7.2
187.06422	1.5
192.06671	2.2
220.06023	2.2
249.13431	1.7
254.07582	1.2
255.02946	2.9
272.08875	2.7
273.12430	6.8
275.10776	1.5
277.12283	2.8
284.03134	2.0
285.03891	2.4
317.11581	5.7
328.52570	1.4
340.10159	1.5
401.49243	1.5
479.11255	3.5
479.18280	2.5
479.25217	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.6
58.00603	2.7
59.01383	100.0
59.72828	2.3
61.98830	45.6
69.74413	4.6
69.74820	9.9
71.01385	56.0
72.99316	4.2
73.01187	2.9
73.02953	3.7
75.00854	6.7
79.93983	3.8
83.01427	4.2
85.02956	8.7
86.37905	2.2
87.00869	12.3
89.00668	2.9
89.02448	65.6
96.02232	2.2
98.20649	2.1
101.02448	29.4
104.98390	10.5
113.02447	21.9
119.03512	22.9
125.02441	2.6
131.03481	3.2
143.03470	5.1
149.04535	2.8
151.00320	5.9
156.06676	4.1
158.06119	10.4
160.01711	2.6
161.04587	5.9
167.85519	2.3
174.01714	4.1
175.02486	4.4
178.99867	3.1
179.05624	17.0
221.71863	2.8
235.19643	2.3
243.03038	3.8
271.14545	3.9
280.59683	2.3
298.32895	2.6
299.01871	4.3
301.00290	3.1
301.03415	12.1
314.04355	5.5
315.13486	3.1
315.25391	3.7
368.06726	2.6
477.10364	10.7
477.18597	4.4
477.30908	16.8
497.33197	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.2
61.98832	37.4
71.61727	17.1
78.95898	16.1
79.54056	11.1
279.23236	100.0
280.23651	15.9
300.99850	32.1
312.72223	12.9
321.24390	19.4
397.53775	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
57.24810	1.1
59.01381	12.9
60.99312	15.1
61.98824	11.5
62.39060	0.9
65.00324	1.6
71.01382	4.4
71.60832	2.1
72.99294	1.5
73.60150	1.1
82.76634	1.0
83.01402	1.6
83.05081	1.2
85.02946	4.7
87.00877	11.2
88.00391	1.6
88.01198	2.2
88.04017	1.4
88.98809	100.0
89.01286	1.7
89.02438	23.3
89.99117	1.6
95.01419	1.6
99.04528	3.3
101.02436	3.8
102.14455	1.0
107.01391	2.6
108.02143	1.2
113.02446	5.2
120.01230	2.4
121.02981	1.5
125.02428	1.4
128.03525	2.7
151.00386	9.5
151.07643	1.3
175.02478	1.7
178.99838	4.3
213.01781	1.5
216.48753	1.1
227.36287	1.0
245.04477	1.5
249.05064	1.1
273.04144	2.7
297.17227	1.7
301.03525	70.4
302.03873	4.3
343.04333	1.3
388.67657	1.6
417.21313	2.7
459.22464	1.4
477.06082	1.8
477.23206	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	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79004	1.5
57.03451	91.3
58.00622	1.6
59.01381	66.8
60.01699	2.0
61.98830	9.6
70.15800	1.5
71.01384	35.8
71.01763	2.4
71.16787	2.4
71.17102	1.8
73.01176	3.3
73.02937	7.7
81.03464	3.3
83.01401	2.9
85.02956	21.4
87.00877	2.3
89.02438	16.0
95.01395	7.9
98.51238	1.7
99.04520	100.0
100.04878	2.9
101.02450	44.0
106.73528	1.4
107.01407	1.6
113.02456	43.6
113.06094	1.6
114.02763	1.8
119.03500	8.0
123.04533	5.9
125.02447	47.9
131.03532	2.7
141.05554	1.9
143.03513	6.3
149.04559	2.3
153.05585	2.4
161.04561	10.4
174.01695	2.5
179.05579	3.2
221.06685	1.9
299.01971	1.8
300.99750	3.9
301.03476	5.3
314.04282	1.8
315.04999	1.7
392.44800	1.6
473.26215	1.6
477.10406	4.8
477.29025	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	477.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
58.03787	1.3
59.01382	74.4
61.98525	1.8
61.98831	32.3
63.02393	1.3
65.00331	3.4
69.50200	8.5
71.01397	7.0
72.99300	2.0
73.02928	3.6
74.02464	3.1
81.03442	3.1
83.01373	3.9
85.02946	3.7
86.82224	1.0
87.00858	2.0
89.00664	3.4
89.02451	3.1
93.03468	3.4
95.01372	1.7
99.04521	79.5
100.04864	2.1
101.02448	16.9
106.70309	1.0
107.01398	6.2
113.02426	4.7
119.03478	1.1
120.01265	2.9
121.02847	1.1
123.04527	1.3
125.02457	30.8
133.02980	3.2
135.04486	1.0
142.99873	1.3
143.03470	2.4
145.02963	1.8
147.55637	1.2
151.00391	21.2
152.00995	2.2
159.17264	1.2
161.02353	1.6
161.04556	2.2
163.00426	6.0
163.04036	1.1
164.98285	1.5
175.02417	2.0
178.99849	15.0
199.03952	4.5
201.01808	1.4
206.99347	4.3
207.99971	1.7
219.30885	1.1
227.03476	1.8
234.09186	1.1
243.03059	2.1
245.04581	6.6
255.02769	1.4
257.04514	2.3
271.02444	3.1
273.04068	19.9
274.04404	1.5
283.02417	2.6
285.04147	1.8
289.12930	1.4
291.94916	1.0
299.02014	16.7
300.02695	14.2
301.03558	35.7
302.03796	2.8
313.03458	5.5
314.04160	1.4
315.05188	13.9
316.05188	1.0
336.89911	1.1
417.21378	2.9
442.19623	1.4
477.10434	32.8
477.23795	1.2
478.10538	4.6
478.26337	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	477.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90750	1.2
57.03457	7.0
58.33608	1.3
59.01381	19.1
61.98834	20.0
71.01379	4.9
72.99300	6.2
73.02934	2.9
85.02949	1.7
87.00867	3.4
88.98802	3.4
89.00666	2.3
89.02432	7.5
92.09013	1.1
95.01359	1.3
99.04514	8.5
101.02434	3.6
113.02438	2.5
114.05618	2.0
125.02438	4.7
127.82497	1.1
128.03531	2.0
138.63211	1.3
145.07695	2.3
147.90950	1.2
151.00356	4.1
153.05574	1.8
154.17589	1.2
166.05087	2.1
172.08784	2.3
198.06776	6.5
200.11885	1.5
214.09734	1.5
226.09731	1.4
241.07304	32.7
242.08072	42.6
243.02811	1.5
243.08858	25.7
257.00735	1.5
257.10425	5.4
271.02405	1.9
294.57266	1.2
296.12936	1.9
299.01953	2.0
301.03500	5.2
311.11490	4.9
314.04312	1.5
315.04907	2.4
350.90048	1.4
359.13666	3.8
377.14648	100.0
378.14859	11.0
445.92923	1.3
448.91965	1.2
477.10168	2.2
477.16229	53.5
477.23325	4.2
478.16760	8.4
478.23318	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.9
58.72432	1.1
59.01376	10.0
60.99306	13.8
61.98834	9.6
63.02374	1.5
63.73325	1.4
69.40555	1.2
71.01390	4.8
85.02957	4.7
87.00880	10.0
88.00419	2.9
88.01226	2.6
88.98808	100.0
89.01289	1.8
89.02442	19.9
99.04528	4.8
101.02422	2.0
107.01404	3.2
113.02452	4.3
121.02959	1.9
125.02421	1.7
131.24115	1.4
143.99202	1.2
151.00397	10.4
178.99852	4.1
198.12531	1.4
273.04242	1.8
301.03531	67.0
302.03815	5.4
373.05637	1.5
417.21121	2.1
477.05988	2.1
477.23596	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	477.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
58.03787	1.3
59.01382	74.4
61.98525	1.8
61.98831	32.3
63.02393	1.3
65.00331	3.4
69.50200	8.5
71.01397	7.0
72.99300	2.0
73.02928	3.6
74.02464	3.1
81.03442	3.1
83.01373	3.9
85.02946	3.7
86.82224	1.0
87.00858	2.0
89.00664	3.4
89.02451	3.1
93.03468	3.4
95.01372	1.7
99.04521	79.5
100.04864	2.1
101.02448	16.9
106.70309	1.0
107.01398	6.2
113.02426	4.7
119.03478	1.1
120.01265	2.9
121.02847	1.1
123.04527	1.3
125.02457	30.8
133.02980	3.2
135.04486	1.0
142.99873	1.3
143.03470	2.4
145.02963	1.8
147.55637	1.2
151.00391	21.2
152.00995	2.2
159.17264	1.2
161.02353	1.6
161.04556	2.2
163.00426	6.0
163.04036	1.1
164.98285	1.5
175.02417	2.0
178.99849	15.0
199.03952	4.5
201.01808	1.4
206.99347	4.3
207.99971	1.7
219.30885	1.1
227.03476	1.8
234.09186	1.1
243.03059	2.1
245.04581	6.6
255.02769	1.4
257.04514	2.3
271.02444	3.1
273.04068	19.9
274.04404	1.5
283.02417	2.6
285.04147	1.8
289.12930	1.4
291.94916	1.0
299.02014	16.7
300.02695	14.2
301.03558	35.7
302.03796	2.8
313.03458	5.5
314.04160	1.4
315.05188	13.9
316.05188	1.0
336.89911	1.1
417.21378	2.9
442.19623	1.4
477.10434	32.8
477.23795	1.2
478.10538	4.6
478.26337	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	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74837	0.2
56.86832	0.3
59.01374	0.3
61.98831	2.1
63.02409	0.5
65.00326	0.5
68.82130	0.3
69.44125	0.7
69.44535	1.3
70.24252	0.2
83.01396	0.4
93.51869	0.3
94.29787	0.2
98.19894	0.5
103.36338	0.2
106.23409	0.2
107.01366	0.7
125.02396	0.6
132.93834	0.2
135.00876	0.3
151.00359	2.5
153.01953	0.4
158.24617	0.3
163.00443	0.3
169.01346	0.5
171.04494	0.9
175.04060	0.3
178.99925	0.6
183.04517	0.3
187.04004	0.4
197.02274	0.3
199.03996	4.0
201.01933	1.7
201.03479	0.3
203.03557	0.6
204.04225	0.5
208.67429	0.3
215.03514	3.3
225.01840	0.4
226.02635	0.9
227.03467	3.8
228.03825	0.4
229.01523	0.5
242.02194	9.4
243.02962	41.5
244.03323	3.2
255.02998	0.7
257.04538	11.4
258.04962	0.7
270.01688	11.7
271.02463	40.9
272.02844	3.7
285.04034	23.3
286.04706	7.7
287.05145	0.7
299.02002	8.1
299.05292	0.4
300.02676	5.0
301.03415	0.8
314.04312	46.1
315.04932	10.4
316.05508	0.6
357.06110	1.0
358.06720	0.3
428.97018	0.2
477.10373	100.0
478.10709	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.1
59.01387	0.7
61.98819	0.3
63.02402	0.6
64.98389	0.1
65.00335	0.5
71.01385	0.2
78.95934	0.1
83.01391	0.5
83.05013	0.1
89.02419	0.1
93.03463	0.2
96.96987	0.1
98.19832	0.4
107.01390	0.8
109.02969	0.2
125.02454	1.0
133.02954	0.2
135.00928	0.1
143.05064	0.3
145.02946	0.2
147.04533	0.3
148.01697	0.2
150.99147	0.2
151.00372	4.0
152.00900	0.2
153.01910	0.4
155.05037	0.3
161.02437	0.2
163.00354	0.4
164.01122	0.2
165.01918	0.2
169.01402	0.4
171.04543	0.9
173.02417	0.3
175.03976	0.5
178.99873	1.0
182.03743	0.2
183.04510	0.4
185.02409	0.2
187.03969	0.6
189.01895	0.4
197.02509	0.5
198.03233	0.2
199.04013	4.7
200.04434	0.2
201.01950	1.7
201.05440	0.1
202.02501	0.2
203.03450	0.9
204.04239	0.6
205.05019	0.2
213.01978	0.1
214.02663	0.3
215.03496	4.8
216.03879	0.4
225.01927	0.5
226.02663	0.9
227.03494	4.4
228.03935	0.4
229.01360	0.9
230.68091	0.2
233.04622	0.2
241.01456	0.2
241.04874	0.2
242.02208	10.6
243.02969	46.3
244.03348	3.1
245.04500	0.3
253.01361	0.2
255.02950	1.1
257.04562	12.3
258.04962	1.0
270.01697	12.1
270.04855	0.2
271.02469	44.8
272.02838	3.5
273.04013	0.9
283.02463	0.3
284.03241	0.2
285.04050	25.1
286.04739	8.3
287.05460	0.6
299.01978	9.2
300.02682	5.9
301.03375	1.2
313.03732	0.1
314.04324	50.5
315.04956	12.1
315.08881	0.3
316.05453	0.8
318.03619	0.2
329.06613	0.3
342.03772	0.2
357.06134	1.5
417.21271	0.2
477.10376	100.0
478.10724	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	477.0677
Annotation	Herbacetin 8-glucuronide
Peak:m/z	Relative Intensity
59.01372	7.8
61.98832	3.0
63.02404	1.7
63.60165	1.5
65.00327	6.9
65.51278	1.4
70.19299	3.4
70.19718	4.5
71.01389	4.5
72.99311	2.2
75.00850	2.1
80.90049	1.4
83.01392	5.6
85.02956	3.7
87.00890	1.7
88.94115	1.4
89.02471	1.8
93.03452	11.4
95.01398	3.4
96.96017	2.4
99.00859	2.1
101.02408	2.0
107.01402	14.9
109.02962	2.2
113.02452	5.9
117.03461	2.2
119.03469	1.8
120.99674	11.3
124.01647	3.0
125.02480	8.0
132.13104	1.5
135.00867	2.6
135.04527	2.5
145.02937	2.2
151.00375	44.6
152.01137	5.1
153.01933	4.0
159.04500	1.7
161.06079	1.5
163.00363	11.2
169.01410	3.5
175.04005	1.7
178.99873	32.6
180.00262	1.6
185.06018	1.6
187.04062	2.3
201.05559	2.8
206.99355	13.9
208.00189	3.2
211.06033	2.1
215.03513	4.5
229.05078	4.5
237.35500	1.6
237.80342	1.6
243.02998	1.8
245.04544	25.1
255.03011	3.3
257.04532	5.3
271.02414	3.1
273.04047	50.0
274.04126	3.9
283.02417	6.3
285.04431	1.6
301.03522	100.0
302.03806	9.8
382.04617	1.9
407.01764	1.6
449.07397	1.8
477.05682	2.5
477.11179	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0675
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
57.03440	1.0
59.01136	0.2
59.01384	2.9
60.99286	0.6
61.98832	2.4
63.02398	1.0
65.00319	1.6
69.54824	1.1
71.01384	2.4
72.99314	0.6
73.02931	0.2
75.00871	1.2
83.01396	1.5
84.47015	0.2
85.02450	0.2
85.02957	3.6
87.00867	1.3
88.98814	3.7
89.02441	0.9
91.08098	0.2
93.03446	0.5
93.44296	0.2
95.01395	1.2
98.20630	0.3
99.00881	1.5
99.04515	0.5
101.02464	0.3
103.00378	0.8
107.01395	3.1
108.02246	0.3
109.02953	2.0
111.02665	0.2
113.02456	5.1
115.00342	0.4
117.01944	0.5
121.02956	3.3
125.02508	0.5
128.03558	0.3
131.25723	0.2
133.02966	0.3
135.00824	0.3
137.02440	0.5
139.03990	0.6
143.05045	0.2
148.01657	0.3
149.02443	0.8
151.00366	12.9
152.00652	0.4
157.06679	0.2
159.04478	0.4
161.02426	0.3
163.00352	0.9
165.01888	0.3
169.01382	0.6
171.04568	0.3
173.06096	0.2
175.02498	1.8
175.03944	0.3
177.55319	0.2
178.99863	5.2
181.13457	0.2
185.06029	0.3
187.03952	0.5
189.01924	0.2
193.01436	0.5
200.04811	0.3
201.05527	0.8
203.03511	0.3
203.60840	0.2
211.04018	0.8
213.01932	0.5
222.92505	0.2
223.02440	0.3
227.03525	0.7
229.04997	0.5
243.02910	0.3
245.04582	0.6
255.02998	1.5
256.03531	0.4
271.02518	0.4
273.04086	0.7
284.03101	0.3
297.16931	0.3
300.02832	0.6
301.03519	100.0
302.03854	8.9
343.04666	1.2
371.03897	0.4
373.05811	0.9
385.05746	0.2
397.05670	0.3
477.06677	4.3
477.23248	0.4
478.06830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02674	0.4
68.84528	0.3
69.60451	2.9
78.95902	24.7
96.96968	0.5
108.65562	0.4
119.23679	0.4
122.00172	0.7
126.74223	0.4
134.98633	0.4
135.74843	0.4
140.01196	5.6
152.99553	1.6
167.81972	0.3
171.00624	0.4
196.03799	10.9
214.04820	2.0
261.21994	0.7
265.17291	0.4
279.23282	100.0
280.23645	7.9
476.27808	27.1
477.28094	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.4
59.01375	8.8
61.98829	2.7
63.02399	3.3
65.00318	7.4
68.99817	0.9
71.01382	4.7
71.60474	1.3
71.61449	0.8
72.99309	1.2
73.09170	1.0
74.02461	1.1
75.00878	1.6
78.95927	1.8
83.01404	6.8
85.02953	4.8
89.02429	1.9
93.03452	13.2
95.01403	3.6
96.96986	1.0
99.00871	1.7
101.02444	2.0
107.01393	16.5
109.02969	2.0
111.00851	1.2
113.02431	7.3
117.03481	3.6
120.99654	5.0
124.01665	1.6
125.02441	11.4
135.00885	3.5
135.04564	1.6
137.02480	1.9
139.00374	1.4
143.04970	1.2
145.02945	2.1
147.04680	1.0
150.41092	0.8
151.00368	60.0
152.01187	5.5
153.01990	2.7
153.68336	0.8
159.04489	4.1
161.02469	1.9
161.06096	1.5
163.00375	14.7
164.01157	1.2
169.01413	4.1
175.02547	2.0
178.99855	45.0
180.00188	1.4
181.01430	1.4
185.06139	1.6
187.04042	3.6
189.02005	1.5
189.05571	1.4
191.03583	1.7
193.03522	1.2
199.04031	1.9
201.01852	1.3
201.05617	4.4
205.05069	1.3
206.99350	17.5
208.00130	5.1
215.03575	6.5
227.03627	2.5
229.05000	5.9
242.02179	5.6
243.02965	23.4
244.03459	1.8
245.04520	28.4
245.06970	1.6
246.04948	2.2
255.03050	2.0
257.04578	12.9
258.05069	0.9
270.01611	5.6
271.02466	21.7
272.02872	1.0
273.04041	67.8
274.04373	5.9
283.02466	9.0
285.04001	13.8
286.04871	4.3
299.02008	3.9
300.02832	2.9
301.03531	100.0
302.03806	8.3
314.04312	22.9
314.07745	1.6
315.05014	7.6
355.03027	1.2
357.06042	1.1
449.07529	1.6
477.10538	49.0
478.11069	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95185	0.4
59.01386	4.4
60.21372	0.5
61.21222	0.4
61.98816	0.6
71.01386	1.3
71.37676	0.7
73.02983	0.7
76.90614	0.4
87.00880	100.0
88.00410	1.9
88.01202	2.1
88.04083	0.7
88.98798	0.5
89.02432	1.1
89.35670	0.4
101.02441	0.7
113.02434	0.8
135.78174	0.5
203.94733	0.5
216.10472	0.4
277.27405	0.5
475.21820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06384	0.5
59.01387	4.3
61.98821	1.4
70.99601	1.5
71.01395	1.6
71.61347	0.7
77.81075	0.4
85.02936	1.2
87.00878	100.0
88.00410	1.8
88.01218	2.1
88.04049	1.6
88.98808	1.2
89.00726	0.5
89.02431	1.0
96.96012	1.4
99.04510	1.0
101.02454	1.3
104.98378	0.8
106.58313	0.4
113.03632	0.5
117.41401	0.5
120.99641	1.1
123.00904	0.6
128.03569	1.8
138.03226	3.8
142.55106	0.4
143.04677	0.6
153.05568	10.1
161.02399	2.5
167.03819	0.6
176.04802	5.5
191.07138	9.4
192.07480	0.8
194.00385	1.4
197.04475	0.6
209.02754	1.9
223.04401	0.5
225.05891	16.6
226.06351	1.1
255.03072	0.7
306.07639	1.0
307.08185	0.7
313.07462	2.2
386.38181	0.5
387.11237	3.9
388.11380	0.6
466.11279	1.3
466.61398	0.9
475.12680	2.5
476.11417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23027	0.6
55.55594	0.5
57.03448	1.0
57.68932	0.5
58.00603	0.7
59.01382	20.7
59.34404	0.5
61.98835	6.9
69.44033	4.6
70.99578	0.4
71.01396	4.5
73.02955	1.2
74.09672	0.5
79.90836	0.5
83.05011	0.7
84.89210	0.6
85.02946	1.7
86.85815	0.5
87.00899	0.8
89.02448	3.6
97.06602	0.6
99.04543	0.6
101.02428	3.7
104.59400	0.5
111.44705	0.5
113.02470	1.6
116.92857	2.4
119.03474	1.6
125.02367	0.7
134.04680	0.6
138.01915	0.8
161.04510	1.2
177.12840	6.8
179.05582	0.7
192.74866	0.7
195.13904	100.0
196.14224	6.2
221.11790	1.1
235.08156	0.9
239.12906	12.1
240.13220	1.5
244.17744	0.6
253.09293	6.7
281.23477	0.6
315.67389	0.5
415.23331	1.1
424.69910	0.7
475.21826	75.2
476.22165	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	475.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71221	5.0
59.01369	8.1
61.98829	8.1
62.56969	5.2
70.44232	5.0
70.63341	12.5
77.41026	6.0
78.95893	15.5
79.48506	5.4
106.54688	6.3
141.00313	5.3
160.04388	5.0
171.00557	6.5
171.47182	5.0
206.12573	5.7
214.04877	5.9
224.60239	5.2
277.21686	48.2
279.23242	100.0
360.30106	5.8
418.30499	5.3
434.80118	5.2
475.25833	5.9
476.27539	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78434	0.5
61.43938	0.4
66.45789	0.5
68.22232	0.5
70.13033	1.6
78.95907	5.5
119.54395	0.5
140.01176	1.6
152.99611	0.7
196.03795	1.1
214.04865	2.8
279.23288	100.0
280.23645	11.3
335.96323	0.5
476.27811	7.3
477.28156	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59633	1.0
53.49837	0.8
53.72115	1.0
57.03452	1.1
59.01380	21.7
60.99314	6.0
61.98839	7.4
64.01526	0.9
67.13422	0.9
69.73052	6.0
71.01385	10.1
72.99311	1.4
73.02943	2.9
74.02457	1.2
75.00874	1.4
76.49514	0.9
79.95709	1.1
83.01373	1.5
85.02935	6.6
87.00880	100.0
88.00376	2.7
88.01226	1.7
88.69343	1.0
88.98811	49.4
89.00667	2.7
89.02450	12.2
91.10569	0.8
95.01399	1.2
97.02966	1.1
98.20588	2.1
99.00873	2.3
99.04500	2.0
101.02477	6.3
101.03049	1.2
104.98396	7.1
112.98779	2.7
113.02437	3.1
119.03498	2.7
123.79193	1.0
125.02450	2.4
128.03523	2.2
129.10417	1.2
137.02513	1.0
138.05605	1.7
142.99849	1.5
143.03441	1.0
145.05116	1.0
149.02379	1.2
149.04601	2.0
151.03969	1.7
161.04541	2.4
163.06142	1.3
164.03566	4.9
171.07764	2.2
173.00844	2.7
227.03470	1.1
235.13405	1.0
254.71608	1.0
255.02956	4.1
261.12494	0.9
271.02481	3.6
275.79211	0.9
284.03210	1.6
285.04007	2.2
299.01913	3.8
299.67621	1.1
300.02676	2.1
301.03406	2.1
307.10364	2.6
431.22769	1.1
440.18625	3.7
475.21887	4.2
475.61780	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1821
Annotation	Cistanoside E
Peak:m/z	Relative Intensity
57.03439	5.9
58.00591	4.6
59.01378	100.0
60.01702	2.0
61.98834	12.2
69.03466	3.1
69.67228	1.5
69.67603	8.1
71.01381	62.8
72.99304	10.9
73.02944	35.8
74.02442	1.7
75.00867	4.0
83.01381	6.7
85.02940	24.2
86.00082	3.2
87.00379	2.1
87.00879	19.6
87.04507	5.4
88.98790	1.6
89.02441	43.1
89.24406	1.5
95.01341	2.2
96.96008	2.7
97.74161	1.7
98.19869	2.7
99.00892	2.7
99.04482	3.3
101.02444	60.8
102.02755	2.0
103.04022	22.0
113.02454	12.9
115.04008	8.3
115.05117	2.6
119.03516	16.2
123.00845	2.0
125.02452	8.7
127.04042	2.8
128.03548	1.8
131.03505	17.9
134.03732	26.0
135.04512	2.9
136.24442	1.3
141.10265	1.6
143.03488	23.9
145.05051	8.9
146.03723	11.2
149.04556	5.9
149.06070	22.4
161.04549	4.5
161.06093	6.0
163.06116	44.7
164.04822	2.7
164.06464	2.1
179.05663	3.0
179.07095	23.8
205.07158	42.2
255.02980	1.9
265.09174	2.8
284.03305	1.9
285.04477	1.8
299.02017	3.5
329.12314	5.3
355.08234	2.5
385.08865	1.6
387.18231	1.9
415.19644	5.4
417.27817	1.7
475.18130	81.1
476.17935	9.9
500.30957	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	475.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.8
59.01381	100.0
60.01708	1.1
61.98825	2.9
64.33829	0.4
69.81923	0.4
71.01380	7.8
71.61952	0.7
72.99367	0.5
73.01184	0.6
73.02953	2.3
75.47221	0.5
79.36601	0.4
79.94004	0.6
83.01387	0.9
85.02966	2.7
87.00887	0.9
89.02470	2.2
95.01395	0.6
97.02926	0.4
99.00881	0.7
99.04523	0.6
101.02447	5.4
101.59660	0.5
113.02454	3.1
113.11194	0.5
115.00397	0.5
119.03506	0.6
125.02481	0.6
143.32457	0.5
161.04573	2.8
174.01747	1.3
179.10800	1.4
193.05115	1.1
198.61525	0.4
203.10765	0.6
221.11778	3.8
222.12231	0.6
227.03453	0.7
233.37003	0.6
235.13422	0.6
253.14693	0.7
255.03040	1.5
284.03278	1.1
299.05756	0.7
300.38242	0.4
388.54120	0.5
393.70346	0.5
397.18839	1.4
415.19693	17.9
416.20203	1.7
435.46417	0.5
475.09381	0.6
475.29385	0.5
476.15942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.2
57.83876	0.8
59.01378	100.0
60.01713	6.0
61.98831	22.6
70.99613	1.0
71.01378	10.0
71.61272	1.0
72.99303	1.2
73.01154	1.5
73.02956	2.0
79.95722	1.1
83.01395	1.0
85.02962	3.7
87.00903	1.2
89.02461	4.7
95.01408	0.8
96.96026	1.0
99.04491	1.8
99.08172	0.8
101.02431	4.4
104.98366	4.9
109.06584	1.9
112.98814	0.9
113.02441	3.0
117.03488	3.8
119.03505	1.8
119.04972	1.3
125.02530	0.9
137.02443	2.7
140.44453	0.8
142.99849	1.1
143.03583	1.3
145.02960	14.7
153.05554	2.0
161.04543	2.0
163.03993	1.7
173.00919	1.8
174.01694	15.1
175.02405	1.1
180.67151	0.8
190.95882	0.8
191.14369	0.9
221.11916	0.8
235.13358	1.6
239.12961	1.0
253.14395	1.8
279.00012	3.4
287.19681	0.8
330.19403	0.8
371.71539	0.9
372.21094	1.6
383.17307	1.6
389.22052	1.0
415.19342	1.2
474.23969	1.6
475.16382	5.7
475.29034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51760	4.0
66.06916	4.5
71.01375	17.6
71.08492	7.9
72.99301	5.3
97.38745	4.0
112.72880	4.1
115.00383	49.5
132.94618	4.8
133.01443	100.0
134.01797	6.8
151.33641	5.2
164.98418	4.2
179.96617	3.8
209.07701	4.4
341.10910	6.5
360.23700	4.9
380.64825	4.7
456.26675	4.6
456.33426	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	474.9691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00279	7.7
58.97314	7.5
59.01381	58.6
61.98833	16.1
71.45131	10.1
75.56866	7.7
95.91681	31.1
97.34531	8.2
98.20384	8.2
99.40803	6.6
104.98355	7.4
112.98782	10.4
142.99814	7.6
173.00868	8.5
174.01688	100.0
213.45773	8.3
279.00037	65.8
345.81430	7.9
475.18008	8.2
479.22485	7.7
495.98520	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	475.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.2
57.83876	0.8
59.01378	100.0
60.01713	6.0
61.98831	22.6
70.99613	1.0
71.01378	10.0
71.61272	1.0
72.99303	1.2
73.01154	1.5
73.02956	2.0
79.95722	1.1
83.01395	1.0
85.02962	3.7
87.00903	1.2
89.02461	4.7
95.01408	0.8
96.96026	1.0
99.04491	1.8
99.08172	0.8
101.02431	4.4
104.98366	4.9
109.06584	1.9
112.98814	0.9
113.02441	3.0
117.03488	3.8
119.03505	1.8
119.04972	1.3
125.02530	0.9
137.02443	2.7
140.44453	0.8
142.99849	1.1
143.03583	1.3
145.02960	14.7
153.05554	2.0
161.04543	2.0
163.03993	1.7
173.00919	1.8
174.01694	15.1
175.02405	1.1
180.67151	0.8
190.95882	0.8
191.14369	0.9
221.11916	0.8
235.13358	1.6
239.12961	1.0
253.14395	1.8
279.00012	3.4
287.19681	0.8
330.19403	0.8
371.71539	0.9
372.21094	1.6
383.17307	1.6
389.22052	1.0
415.19342	1.2
474.23969	1.6
475.16382	5.7
475.29034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94042	0.4
57.03453	0.6
59.01382	3.5
61.98832	100.0
64.40125	0.4
65.13223	0.5
69.47793	4.0
71.01402	1.1
89.02441	0.5
100.94897	0.5
101.02459	0.6
107.30312	0.5
113.02465	0.5
125.02558	0.7
158.80690	0.5
167.04460	0.6
168.47519	0.5
173.02567	0.5
192.03954	0.6
196.63730	0.5
326.04300	1.0
362.66562	0.5
404.28360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
70.66988	0.5
71.01378	0.2
73.46210	0.1
78.95903	9.4
83.05031	0.1
96.96955	0.2
127.07645	0.3
137.64400	0.2
139.44557	0.1
140.01190	2.8
152.99553	1.3
166.02650	0.2
169.75172	0.1
171.00609	0.3
187.24484	0.2
196.03766	1.4
214.02985	0.3
214.04863	3.6
216.13586	0.2
223.97166	0.1
233.22737	0.3
259.20715	0.4
275.20142	0.6
277.21704	100.0
278.22064	10.7
392.40247	0.1
474.26239	9.4
475.26569	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71118	0.3
51.79852	0.3
59.01375	1.6
71.01391	0.3
73.08453	0.3
78.95902	31.6
96.96970	0.4
98.19852	0.5
110.31888	0.3
114.48213	0.3
119.32452	0.3
122.00102	0.9
122.98536	0.3
135.06728	0.3
137.48662	0.3
140.01183	6.4
145.39288	0.3
152.99580	2.9
160.68187	0.3
171.00620	1.3
173.90312	0.3
196.03789	13.0
201.88779	0.3
203.18184	0.3
214.04893	3.1
233.22739	0.3
259.20602	0.6
270.13007	0.3
275.20105	0.5
277.21704	100.0
278.22037	9.2
292.72964	0.3
374.02615	0.3
474.26248	29.6
475.26578	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	474.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.98831	100.0
70.86873	0.6
71.37910	1.1
99.92606	1.4
101.02441	0.7
125.92941	1.2
160.01875	0.8
175.04054	0.8
189.50316	0.7
226.05516	0.7
275.64594	0.8
306.97342	2.8
412.58563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
61.98830	100.0
69.20469	0.6
72.84257	0.5
74.00787	0.5
77.03097	0.6
77.03548	0.6
77.40497	0.6
84.19604	0.5
94.97288	0.5
101.02516	0.6
159.97545	0.6
173.00844	0.7
268.26733	0.5
298.04953	1.2
443.79184	0.6
473.62506	0.7
475.12631	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	473.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96743	1.5
71.61275	1.1
121.06606	17.6
133.06612	4.1
133.66695	1.2
149.09723	100.0
150.10066	3.2
163.11334	5.1
179.85851	1.4
192.95358	1.3
205.15974	7.1
286.94717	1.5
297.18610	9.5
298.08029	1.7
311.20172	27.4
311.23560	2.2
312.20721	2.0
323.20123	22.6
324.20709	2.1
457.25479	4.6
473.30627	99.4
474.31076	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	473.9664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.3
61.98832	100.0
64.95238	1.2
70.73585	2.0
71.01357	1.1
101.02385	1.1
112.75838	0.8
166.68587	1.1
175.02507	1.1
223.04552	1.1
473.27338	2.7
474.28311	2.9
480.18079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.9661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.5
61.98831	100.0
71.01378	1.8
75.93763	1.0
89.02441	2.1
91.92593	1.1
93.03447	1.3
97.54077	1.1
101.02452	2.3
128.30846	1.0
134.09717	1.0
143.45467	1.1
145.28769	1.3
226.91745	1.1
251.16435	2.5
251.20799	1.1
300.76724	1.0
312.25067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88058	0.6
59.01382	13.3
60.01717	0.6
61.98833	100.0
64.95255	0.6
69.74718	2.0
69.75124	1.2
71.01398	1.2
73.01178	2.0
98.20609	0.8
98.42825	0.5
101.02444	1.1
104.98411	2.5
115.04003	4.4
136.95580	0.8
143.04517	0.7
175.03946	0.7
208.76396	0.6
215.05589	1.2
285.03625	0.7
306.07819	0.7
314.13187	0.5
355.87845	0.5
389.72778	0.6
393.03003	0.5
473.61990	1.0
483.42575	0.6
498.73578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59443	0.4
52.92628	0.4
58.79018	0.5
59.01380	100.0
60.01733	0.6
69.30219	3.9
71.01389	1.4
73.02969	0.8
89.02448	0.5
98.20726	0.5
101.02479	0.7
113.02443	0.6
128.39012	0.5
138.53998	0.4
202.84711	0.4
334.47519	0.6
384.79456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01721	1.0
61.98829	1.3
69.52193	0.5
69.52599	1.6
71.01385	1.3
73.02963	0.6
73.16633	0.2
78.67785	0.2
83.63964	0.3
85.02965	0.7
89.02463	0.6
101.02457	0.9
105.08241	0.2
113.02419	0.4
136.49023	0.2
143.03595	0.4
161.04550	0.5
185.45998	0.3
209.15488	0.3
226.61018	0.2
353.19736	1.0
371.20804	1.4
413.21866	0.5
473.24170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02536	2.2
59.01380	100.0
60.65748	2.2
61.98838	4.8
62.92340	2.1
64.65636	2.1
69.40360	19.7
71.01381	23.4
73.02944	5.5
74.02472	3.0
83.01379	5.2
85.02946	10.1
87.00864	11.8
89.02454	13.4
99.00911	4.2
101.02457	13.1
113.02451	16.0
119.03481	5.7
126.95216	2.1
128.03520	6.2
130.08719	3.3
132.02174	2.9
133.02988	3.1
134.03778	2.8
143.04594	5.6
151.00365	3.5
160.01665	9.3
161.02419	6.8
164.54773	2.5
167.03497	5.2
174.01643	4.5
175.03914	11.1
193.05049	2.1
207.13907	3.0
225.14941	6.5
227.03505	3.9
255.03046	12.2
283.02539	3.9
284.03198	13.8
285.03998	8.5
306.07715	9.5
369.19055	25.2
370.19598	3.9
385.08536	2.6
387.20303	23.5
407.05511	2.7
429.21289	7.9
473.11694	11.4
473.20251	7.3
473.62262	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	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39020	1.3
59.01379	100.0
60.01719	1.9
61.98843	1.8
70.74244	3.6
121.48643	1.6
131.52867	1.5
133.18802	1.4
153.84744	1.5
162.08685	1.5
173.00873	1.9
206.44322	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24487	0.3
59.01379	100.0
60.01705	1.6
61.01781	0.5
61.21666	0.3
61.98830	4.8
69.28344	2.9
71.01381	4.0
73.02930	1.9
75.00861	0.5
83.01385	0.7
85.02964	1.8
87.00893	1.3
88.98820	0.6
89.02437	2.2
93.03412	0.3
95.01408	0.6
96.01701	0.3
96.96047	0.4
99.00877	0.5
99.04498	0.6
101.02444	3.2
113.02457	4.0
119.03546	1.1
121.03011	0.5
125.02556	0.3
127.11803	0.3
131.03522	0.6
134.03813	0.4
137.00945	0.3
143.03561	0.6
149.04599	0.5
160.01645	0.7
161.04582	1.3
173.00922	0.4
174.01718	2.5
175.02292	0.9
175.03970	0.7
177.01999	0.5
179.05612	0.5
185.39256	0.3
208.90309	0.3
219.10345	0.6
251.12904	0.8
255.02989	0.8
284.03418	0.7
346.46771	0.4
371.19699	0.5
387.19897	0.3
393.12000	0.6
409.06650	0.5
413.21695	0.4
431.22107	0.4
441.17642	0.9
473.11819	1.2
473.26965	0.8
497.52032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50245	3.2
57.03431	4.0
58.75811	3.6
59.01094	5.9
59.01380	100.0
69.43027	7.5
69.43430	19.4
71.01389	32.4
73.02935	12.9
82.40515	3.3
83.01417	5.7
85.02966	7.6
87.00860	4.8
89.02447	13.9
101.02444	18.0
113.02446	11.9
119.03502	7.8
125.02513	4.5
225.14949	8.0
247.84950	4.4
268.50803	3.2
369.19131	34.7
387.20267	47.6
392.09329	6.5
429.21255	16.1
473.27069	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	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72094	2.4
52.86749	2.2
55.01882	3.0
57.03450	100.0
59.01377	54.3
61.98841	2.3
69.75762	11.0
69.76171	4.7
71.01380	41.0
73.02946	5.9
76.96333	2.3
81.03450	3.8
83.01398	3.5
85.02939	18.5
87.00877	70.4
88.04068	2.8
89.02451	18.1
95.01389	7.5
98.20638	2.9
99.00871	4.3
99.04521	85.1
101.02447	34.4
110.85296	2.7
113.02448	29.2
114.61832	2.2
119.03510	8.1
124.04050	2.4
125.02444	43.9
125.03313	4.5
128.03526	5.4
130.08745	5.7
134.03714	10.7
143.03540	4.0
143.11951	4.7
149.06061	12.6
160.01703	5.6
161.02443	2.9
161.04523	8.0
165.70346	2.6
167.04637	3.1
173.00969	3.3
175.04007	9.3
179.05563	3.3
193.04973	3.1
227.03502	5.6
228.84494	2.5
255.03064	6.8
262.68945	2.7
284.03290	6.9
285.04092	5.0
311.11353	53.5
312.11768	4.0
329.12439	13.8
371.13599	3.2
379.03070	2.7
385.08450	3.6
473.11505	5.4
473.21902	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	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02921	0.9
59.01382	100.0
59.49881	1.1
61.98838	5.4
69.80773	6.2
71.01382	13.0
73.02940	2.5
75.06911	1.0
83.01388	1.2
85.02946	3.5
87.00863	4.5
89.02436	4.9
98.20552	1.1
101.02422	6.8
113.02449	5.9
119.03481	1.2
119.05050	2.5
123.08198	5.3
128.03517	7.9
137.09769	1.9
143.04588	2.6
147.04539	1.3
160.01704	1.1
161.02477	1.5
161.04500	4.2
163.11311	3.5
172.19432	1.1
174.01552	1.4
179.05667	1.3
189.12854	7.7
193.04974	1.4
207.13904	8.5
227.03424	1.7
272.08838	2.4
284.03137	2.7
285.04068	2.5
306.07635	3.2
312.12564	5.8
387.20114	1.9
392.09024	6.3
392.59442	2.2
436.65625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2341
Annotation	Guan-fu-base F N-oxide
Peak:m/z	Relative Intensity
57.03450	2.6
59.01094	0.7
59.01378	10.7
61.98831	9.1
62.22905	0.5
68.01405	0.6
68.99818	15.0
70.02972	0.6
71.01389	2.4
71.60843	0.7
71.61192	0.8
73.01171	0.5
73.02953	0.5
78.95921	0.4
79.00729	0.4
79.95763	0.7
83.00119	2.1
83.01363	0.5
83.05022	1.0
87.00871	1.0
87.02697	0.6
89.02466	0.5
92.05055	0.6
92.58750	0.5
94.31951	0.5
96.99301	6.9
99.00874	5.9
104.98402	0.7
108.04550	0.8
109.01692	11.0
110.02483	0.8
113.01181	1.5
113.02476	0.8
114.01979	1.7
122.06098	0.7
124.00399	2.8
128.03552	0.9
136.03984	0.8
137.01132	0.5
137.09724	1.0
140.03522	1.9
142.99866	0.7
149.04776	0.8
150.05588	0.6
161.04663	0.6
173.03296	0.8
174.01755	0.8
174.04036	0.6
176.07211	0.5
178.05051	1.4
184.02573	0.6
188.07196	0.7
190.05098	3.7
200.05571	0.8
216.06653	0.7
228.06633	1.2
230.08206	1.3
250.07149	1.6
288.08847	0.8
324.58023	0.5
356.22498	0.6
366.20605	0.7
384.21872	0.7
388.14053	0.5
394.20282	1.2
412.21295	12.6
413.21512	1.4
472.23386	100.0
473.23734	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	473.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01380	100.0
59.08968	1.3
60.01687	1.9
61.98516	2.7
61.98829	44.5
67.14257	1.4
67.94616	1.4
70.15968	1.3
71.01385	13.3
73.01172	3.7
75.48909	1.2
83.01392	2.3
85.02956	3.5
86.53244	1.5
87.00881	3.5
88.98859	1.8
89.02442	9.9
89.04042	1.2
95.93464	2.8
99.00887	3.2
101.02443	5.8
107.01324	1.2
112.98789	2.7
113.02464	6.9
114.03839	1.3
119.03489	3.1
119.05014	1.9
121.02953	32.3
132.02209	7.7
133.02968	7.0
134.03737	14.1
135.04541	1.7
136.97360	15.7
137.02417	1.9
147.04546	3.0
149.06079	1.9
151.00366	3.8
158.78172	1.3
160.01672	27.4
161.02327	5.0
172.76161	1.5
173.00945	3.5
173.51521	1.5
174.01707	23.0
175.02173	6.8
175.03992	35.9
176.04370	3.7
176.32483	1.3
178.02812	2.4
178.99947	1.4
192.04245	1.5
193.05043	13.3
196.32462	1.2
211.04045	2.0
227.03520	21.8
228.03806	2.4
255.02980	39.7
256.03470	5.6
279.00052	1.9
280.00247	2.7
283.02478	16.1
284.03241	38.0
285.03986	27.9
286.04413	3.3
310.56244	2.7
311.06647	31.6
311.56805	9.1
337.08966	1.7
445.33212	1.5
455.30872	1.4
463.49576	1.3
473.05902	2.5
473.11948	31.5
473.62140	18.3
474.12064	2.8
483.14865	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	472.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.3
59.01378	40.8
60.42831	1.2
61.98846	1.3
62.72231	0.9
70.21336	3.3
70.21752	1.8
71.00991	1.8
71.01381	34.5
72.99314	1.5
85.02953	4.4
87.00865	3.2
88.04071	1.1
89.00677	4.9
89.02442	47.0
95.01401	1.6
96.96967	1.2
98.20626	0.9
101.02436	18.1
113.02448	11.7
119.03507	14.5
130.08739	41.1
131.03497	3.0
131.09071	2.0
143.03514	2.9
149.04561	2.9
158.99750	1.3
160.24239	1.0
161.04547	4.4
164.41644	1.1
177.02258	4.0
179.05600	24.5
240.36978	1.2
341.10867	100.0
342.11292	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	472.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90226	0.5
59.01382	78.2
60.01714	5.8
61.01808	0.8
61.98834	100.0
69.32387	5.9
71.01384	4.7
73.01173	0.6
73.02941	1.1
79.71132	0.7
83.01409	2.2
85.02963	1.1
87.00887	2.4
87.02696	1.0
89.02457	1.4
95.93497	0.6
99.00893	0.7
101.02456	2.0
105.00228	1.0
112.98806	1.4
113.02469	2.3
114.03857	2.1
121.02959	7.1
128.03477	0.9
128.81030	0.7
132.02174	1.2
134.03766	2.0
136.97401	3.0
142.99878	1.7
143.04634	1.0
151.00526	0.8
160.01703	2.5
161.02388	0.7
171.11661	0.8
173.00929	3.4
174.01712	48.1
175.02292	2.4
175.04056	5.8
193.05026	1.2
215.05415	0.6
227.03537	2.6
244.93446	0.7
251.12901	1.0
255.02997	5.8
279.00055	7.4
283.02594	2.8
284.03262	3.2
285.04031	3.7
303.55643	0.8
311.06665	7.2
437.24658	0.7
473.12158	4.6
483.15033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.6
61.98827	9.9
70.12559	4.6
70.12952	4.6
71.33844	2.3
77.11973	2.2
78.95902	71.1
96.96964	4.5
108.87916	2.3
113.81439	2.6
134.04756	3.0
152.99590	100.0
160.31165	2.3
171.00618	2.4
179.69835	2.2
255.23256	2.4
277.21701	5.6
278.22040	8.8
409.23590	39.5
410.24139	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	472.041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
61.98832	100.0
65.22091	0.7
69.56097	1.7
69.56505	4.5
86.64455	0.7
173.00908	1.2
201.23824	0.7
230.85582	0.7
400.58347	0.8
414.43130	0.8
416.53217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92309	0.6
54.28747	0.7
58.02985	5.5
59.01382	12.6
59.99444	0.5
60.01719	0.8
61.98833	100.0
63.91980	0.6
69.46812	5.1
70.03004	1.2
70.99597	0.7
71.01402	1.1
72.00911	0.9
74.02474	11.7
78.96830	0.9
80.50558	0.7
81.04607	1.0
82.02972	1.1
86.02496	5.9
86.06109	1.1
87.05641	3.7
90.00226	1.0
92.98401	1.9
95.02542	0.7
96.00933	0.9
97.04096	1.4
99.04558	1.7
99.05642	9.4
100.00422	0.9
100.04059	0.7
101.02448	0.7
101.07227	1.9
102.05669	1.2
104.98396	3.3
107.06157	0.7
109.04078	1.4
111.05676	1.2
112.04065	1.1
123.05653	1.3
124.04061	0.9
124.95623	1.6
125.03574	1.3
127.05180	2.0
128.03540	39.8
129.03859	1.1
135.05692	2.2
137.07237	0.8
141.06718	2.1
143.04626	44.6
144.05025	1.2
145.06239	2.3
146.02797	0.8
146.04599	4.1
148.44113	0.6
153.06705	3.7
160.00740	9.0
166.09912	1.8
167.04645	2.1
167.08307	1.6
169.06183	1.3
171.07799	1.1
175.01965	1.0
177.03372	3.2
177.88365	0.8
179.04642	10.0
181.06242	1.9
185.05753	1.4
197.05782	1.7
203.01381	1.3
210.08855	9.9
242.07941	0.7
249.05751	0.8
254.07823	15.9
272.08890	31.6
273.09210	2.0
288.06616	5.6
304.06229	2.2
306.07657	39.8
307.07782	3.2
360.07065	1.0
378.07974	8.2
379.08374	1.1
393.91901	0.8
409.49850	0.7
472.07220	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	472.041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58758	0.7
57.83208	0.7
59.01384	2.8
59.17542	0.6
61.98832	100.0
62.84296	0.7
66.22781	0.7
69.66551	0.7
69.81232	3.7
71.01377	1.4
83.68114	0.6
89.02443	1.7
97.03842	0.6
99.01039	0.7
106.89680	0.6
113.02449	0.8
142.99942	0.9
173.00903	0.9
174.01720	5.0
237.14972	6.2
253.09262	1.0
279.00122	3.0
291.19614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86460	0.4
51.79221	0.4
56.39786	0.4
59.01378	1.1
60.52261	0.5
61.98832	100.0
69.90219	2.2
71.38061	0.5
80.48004	0.5
85.29380	0.5
96.77894	0.5
98.19939	0.7
108.35361	0.5
146.42787	0.5
245.05539	0.5
286.83359	0.5
361.09097	0.5
392.11340	0.6
425.31830	0.5
443.02063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27998	0.7
58.02966	2.7
59.01089	1.5
59.01382	22.2
61.98834	100.0
71.01379	1.0
74.02483	6.0
74.27675	0.8
86.02486	3.6
87.05647	1.8
97.03999	1.1
99.04506	1.5
99.05640	5.6
101.07198	1.2
102.05642	0.9
104.98374	2.6
109.04080	1.1
112.04066	1.0
117.12341	0.8
120.01254	0.9
124.19518	0.8
125.03541	0.9
127.05122	0.9
128.02678	1.6
128.03557	20.0
135.05659	2.2
141.06654	1.0
143.04626	23.3
143.17845	1.1
146.04617	1.9
146.95332	0.9
153.06653	1.4
160.00732	4.2
167.04593	1.8
177.03426	1.3
179.04567	4.1
205.16008	0.9
207.13939	1.0
210.08878	6.2
229.25813	1.1
254.07826	8.8
272.08887	19.0
273.09219	1.5
288.06427	4.1
306.07657	21.1
307.07935	1.4
378.07858	3.1
472.07068	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	472.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66188	0.7
57.07544	0.6
59.01372	5.1
61.98831	100.0
65.32254	0.6
67.99886	0.8
68.99834	1.7
70.81538	1.4
70.81917	1.3
71.01379	1.7
77.97046	0.7
84.43172	0.6
89.02422	0.7
99.00886	1.5
101.00680	1.1
101.02463	0.9
109.01684	1.7
112.98813	0.8
114.01970	0.9
125.32300	0.7
142.99971	0.9
165.34016	0.7
173.00862	1.4
174.01680	1.5
174.04076	1.0
208.06172	2.4
251.77942	0.7
268.08252	0.9
302.06970	0.9
303.07614	0.8
324.29684	0.8
412.21310	1.5
471.25919	1.7
472.23285	13.6
473.24017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.6
61.98831	100.0
64.95241	0.4
68.99823	1.3
70.08749	1.3
71.01400	0.6
78.30810	0.4
87.00889	0.4
96.99369	0.8
99.00890	0.6
104.09474	0.4
108.24739	0.4
109.01708	0.9
124.00452	0.6
140.03548	0.5
142.99915	0.7
161.01038	0.4
174.01707	0.7
220.80418	0.4
291.19772	0.5
412.21411	1.0
472.23367	8.6
473.24030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91725	0.6
52.57468	0.7
55.95059	0.7
59.01387	3.7
61.98832	100.0
70.09107	2.7
95.29025	0.7
98.20582	0.9
98.83808	0.6
99.04620	0.7
128.62318	0.7
457.75955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49235	0.6
59.01380	100.0
60.01724	1.2
61.98833	21.0
63.94453	1.1
70.61471	0.6
70.82939	1.4
71.01386	2.3
73.02949	1.8
77.51247	0.6
83.82494	0.6
85.02983	0.8
96.42778	0.6
99.00873	0.8
101.02472	1.7
112.98833	1.9
113.02488	1.3
139.11644	0.6
142.99982	2.0
173.00926	3.3
174.01744	2.7
291.19888	0.9
294.99374	0.6
370.48563	0.7
380.89304	0.7
394.90408	0.6
426.59467	0.6
427.40945	0.7
471.00751	1.2
471.25906	0.9
475.33008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
61.98832	100.0
71.53323	2.3
71.76761	1.1
74.44629	1.1
79.95722	1.2
83.08996	1.4
84.00961	1.1
86.02454	1.7
87.00875	2.3
89.02439	1.7
104.98402	2.1
106.99935	2.2
128.03560	2.1
147.30710	1.4
173.00989	1.9
298.05182	1.5
309.20850	2.4
352.14658	1.4
390.20004	1.5
472.26654	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34624	2.6
54.89344	2.6
57.03472	2.9
59.01382	100.0
59.67896	2.5
60.10658	2.5
61.98824	11.2
71.01389	25.9
71.61260	3.0
73.02950	18.9
78.95914	6.4
83.01398	8.8
83.05025	4.4
85.02963	5.3
87.00869	3.0
89.02444	8.1
96.00909	2.7
96.90436	2.5
101.02457	17.9
106.45374	2.2
113.02464	11.1
114.05619	3.2
117.09226	2.5
120.01379	2.5
128.03522	12.5
130.08746	2.8
134.03748	4.4
138.06902	12.8
139.07680	3.3
143.04614	5.1
145.03029	5.4
151.07658	9.9
152.08394	18.4
152.99651	3.1
153.09224	69.2
154.09596	2.5
157.40277	2.4
161.04567	8.0
193.05014	5.6
200.14055	3.0
205.12303	20.2
207.10310	3.5
210.94548	2.6
223.13422	11.0
243.12424	2.7
272.08859	6.5
273.09335	4.3
367.17542	8.2
385.18567	6.9
427.19608	3.3
471.16360	9.3
471.27686	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	471.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	3.1
59.01380	55.5
61.98830	100.0
64.95235	2.6
66.65794	1.9
69.33641	18.5
70.99598	8.3
71.01390	3.8
73.02954	2.3
85.02949	3.4
95.23639	1.9
96.00935	3.6
98.20641	4.3
99.00884	7.1
101.02431	2.2
104.98365	2.3
112.98797	5.8
114.01946	4.6
115.08750	2.2
116.07784	2.4
128.03482	2.4
142.99844	2.7
143.04576	2.2
163.02554	2.5
173.00931	9.2
174.04039	3.1
207.13869	6.3
208.06129	5.9
209.06453	5.3
211.13377	5.0
247.02748	2.9
268.08060	3.7
269.08560	2.2
274.27444	1.9
300.05441	2.6
302.07132	4.7
303.07437	3.9
436.24539	5.3
453.26987	7.5
471.20004	7.8
471.27072	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	471.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	45.3
61.98813	4.4
63.10037	2.1
71.01383	38.7
72.99306	2.9
73.02945	16.1
76.82252	2.3
78.95891	3.0
83.01405	11.5
84.14413	2.6
85.02956	18.5
87.00861	6.0
89.02452	12.3
95.01381	2.6
96.96006	4.5
97.87097	2.6
99.00915	9.1
99.62720	2.6
101.02451	44.5
103.04008	5.3
113.02444	16.5
119.03510	4.7
125.02433	2.8
128.03539	4.9
129.05594	11.9
143.03468	4.0
159.03026	4.5
161.04582	18.6
163.06152	14.5
193.05141	6.8
205.07178	2.7
247.08105	4.3
265.12918	50.4
266.13135	3.5
284.52863	2.6
310.09485	2.6
411.18692	100.0
412.19324	12.0
472.23953	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55308	0.4
57.03439	1.2
59.01381	100.0
60.01717	1.0
61.98833	44.5
63.35655	0.4
71.01395	3.2
73.02948	1.2
79.95699	0.6
83.01395	0.6
85.02972	0.9
96.00912	0.9
99.00908	0.8
101.02475	1.5
113.02462	0.5
130.08760	0.5
139.27516	0.5
173.00909	0.6
174.01729	0.4
203.05685	1.4
207.13918	5.9
208.14220	0.7
209.06648	0.5
211.13405	0.7
249.14943	1.0
262.24594	0.5
275.32526	0.4
450.23172	0.5
471.22031	0.5
472.23569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90311	3.8
61.98819	5.6
71.50762	4.0
71.51073	5.0
78.11957	3.5
78.95907	100.0
80.12419	3.9
92.68021	4.2
96.57139	3.5
96.96970	5.9
99.92605	5.2
152.99594	84.3
170.99205	6.1
171.00627	90.8
297.53851	4.0
407.22009	31.2
471.34549	7.6
476.44012	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	471.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40938	2.4
56.56897	2.2
57.03432	2.9
58.84100	2.3
59.01382	36.2
60.11075	2.4
61.98830	100.0
64.87621	2.4
64.95256	2.8
68.99809	2.9
69.33948	6.6
69.34362	18.6
70.99607	9.9
71.01382	9.0
73.01181	14.0
73.02937	4.2
77.43858	3.3
79.95755	5.1
83.05047	2.7
85.02944	3.6
87.00866	2.9
98.19868	4.0
99.00898	18.7
101.02454	3.9
104.98389	11.6
110.02518	3.0
112.98837	6.5
113.02424	3.2
114.01973	5.8
120.14041	2.6
128.03448	2.8
130.08676	2.5
142.99904	4.6
145.02948	2.9
163.02596	4.6
164.83591	2.5
173.00879	14.6
173.03209	3.1
174.01584	4.5
174.04068	7.8
179.05595	3.0
208.06161	15.6
209.06425	8.4
247.02710	3.8
261.05472	5.5
266.11807	11.8
268.08325	4.0
286.57532	2.9
300.05637	4.2
301.05902	4.6
302.07001	8.5
303.07193	10.5
358.08328	3.0
472.23492	8.8
477.88489	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	471.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30695	1.0
57.03442	2.1
58.90395	0.8
59.01093	1.7
59.01381	36.1
61.98831	100.0
70.99227	1.9
70.99608	27.8
71.01382	4.8
71.47861	0.9
71.60612	1.1
73.01153	1.9
78.94778	0.8
79.95766	1.0
83.01405	2.0
85.02937	1.9
87.00881	1.1
89.00717	1.0
89.02418	1.2
96.00953	1.2
99.00878	5.7
102.96830	1.1
111.00872	1.7
112.98810	20.8
115.00349	1.0
128.67445	0.9
142.99869	11.3
145.01401	1.5
152.99620	1.2
155.71773	0.9
163.02574	13.7
173.00919	28.5
174.01613	3.9
207.13916	3.6
211.13382	3.4
235.17815	1.0
245.01318	2.5
247.02800	5.1
272.08560	1.0
356.74557	0.9
370.54285	1.0
436.24405	2.3
453.26981	1.7
472.41135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89054	0.7
59.01379	96.5
60.01688	1.4
61.98826	6.7
65.03959	2.5
67.01888	1.3
71.01382	8.7
71.61185	1.2
72.99319	2.2
73.02949	2.1
78.95911	0.8
83.01385	1.5
85.02948	2.8
87.00873	19.4
88.37811	0.7
89.02442	3.5
91.01896	3.5
95.01440	1.0
98.26260	0.9
101.02447	3.7
109.02949	40.3
110.03261	1.4
113.02420	4.5
119.03541	1.0
121.02934	1.0
125.02428	1.0
126.20284	0.9
128.03571	1.7
130.08755	2.0
130.38560	0.7
135.00882	17.2
153.01935	100.0
154.02225	4.2
161.04564	1.3
177.01981	1.1
179.05582	0.8
197.12796	0.8
205.12238	1.2
222.84584	0.8
223.10957	0.9
225.14877	2.1
241.16422	0.8
284.03317	0.8
297.06143	33.6
298.06387	2.5
315.07187	19.9
316.07587	1.3
335.49045	0.8
369.19199	12.6
387.20026	3.3
411.20422	2.6
429.21594	3.8
435.12674	0.8
436.84995	1.0
471.22266	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	471.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
59.01382	100.0
61.98518	3.1
61.98831	38.4
71.01388	28.6
71.10246	1.4
71.61272	2.2
73.02950	24.6
81.03434	1.4
83.01385	7.1
85.02939	4.7
87.00877	30.0
89.02428	8.9
90.19495	1.6
92.00580	1.4
95.01379	1.5
99.00841	2.1
101.02441	26.0
101.07205	1.6
107.96590	1.6
113.02466	10.4
115.92094	3.7
116.92912	1.9
119.03526	3.5
127.69367	1.3
128.03490	4.4
129.10300	2.3
130.08730	6.5
131.03526	2.1
143.03508	4.0
143.04640	2.7
145.06177	3.5
149.04491	2.6
153.09195	5.6
161.04604	6.6
185.16505	1.7
205.12355	7.3
210.07652	3.1
217.93031	1.5
221.06638	1.6
242.18703	2.1
263.63519	1.4
264.15002	1.5
367.17725	3.1
385.18652	3.8
411.21304	3.9
427.19708	2.8
453.27411	1.9
470.29364	3.0
471.28683	15.2
498.92200	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	470.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98031	2.3
58.02977	11.5
59.01370	4.9
61.98833	79.4
63.96252	3.2
66.03471	1.6
70.95995	3.1
71.01350	4.2
72.00386	3.2
72.00890	4.7
73.98322	2.2
74.02472	29.3
81.02191	4.6
82.02974	2.5
86.02487	15.3
87.00886	2.9
87.05631	3.6
88.04042	3.4
88.06700	1.7
89.00671	1.7
89.02471	2.1
92.99596	1.6
94.86324	1.7
97.04065	4.2
98.02477	2.2
99.05646	19.2
100.00426	3.8
101.07242	2.3
102.05620	2.7
104.98381	7.0
109.04050	4.0
111.05653	2.6
112.04035	4.0
114.00169	2.3
119.68246	1.7
120.97906	5.4
123.05641	2.6
125.03566	5.9
127.05126	8.0
127.08827	2.7
128.03537	86.2
129.03912	2.6
135.05621	5.6
137.07201	1.9
141.06679	4.5
143.04625	90.2
144.04930	2.2
145.06201	13.2
146.02858	2.6
146.04573	7.6
152.85219	1.8
153.06702	6.1
160.00739	17.1
161.04578	2.0
166.09824	3.8
167.04588	5.6
167.08325	2.0
171.04129	2.0
171.07767	12.9
177.03307	3.5
179.04611	17.1
181.06155	5.1
185.05624	4.7
192.07848	2.9
192.62643	1.7
197.05731	4.0
198.30853	1.7
199.07269	6.8
201.05202	1.8
210.08827	18.0
244.09557	2.5
249.05621	2.4
254.07788	27.0
255.08153	1.9
257.75269	1.7
272.08884	100.0
273.09259	7.9
274.09412	2.5
288.06784	8.7
304.06046	22.9
306.07678	90.8
307.07935	5.9
308.07220	9.8
346.10690	6.8
360.07062	1.9
378.08002	23.7
380.07974	4.9
394.07474	2.0
493.33792	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	470.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98041	4.6
58.02957	3.4
59.01372	7.8
61.15934	2.9
61.98827	19.9
63.96261	3.0
69.51630	14.6
69.52039	4.1
71.01395	4.7
72.00397	3.7
72.00930	5.0
73.04057	5.2
73.07507	2.6
73.98318	7.0
74.02470	23.6
74.99112	5.2
76.57986	2.6
79.93955	3.3
80.91699	7.7
81.02203	11.1
82.03001	2.9
84.04520	3.1
84.97521	3.6
86.02479	23.9
87.05626	5.5
88.04018	3.2
90.00188	3.0
97.04076	3.8
98.02475	3.3
98.19841	3.3
99.05643	20.1
100.00414	8.5
104.98400	6.1
114.00153	4.9
114.03825	6.4
123.05589	3.3
125.03558	8.2
125.07220	3.4
127.05132	7.1
128.03537	86.5
129.10255	3.0
130.08696	6.7
136.99106	3.7
143.04620	86.4
143.11876	4.2
144.04889	3.0
145.06195	25.9
146.04599	6.5
146.08220	8.2
153.06752	4.0
160.00716	26.0
160.43132	3.2
167.04659	4.0
169.06181	5.1
169.09700	3.5
171.07726	14.1
177.03419	3.8
179.04614	12.1
184.72939	2.6
185.05682	8.4
187.00484	2.7
191.28894	2.6
192.07890	3.0
197.05713	3.1
199.07237	7.3
200.14066	5.0
201.05045	3.4
210.08841	14.5
213.22090	2.7
218.05229	3.0
225.13527	5.2
244.09258	6.1
249.05539	2.8
254.07886	21.8
272.08871	100.0
273.09280	10.3
277.12244	11.2
288.06592	14.2
304.06064	69.8
306.07635	85.0
307.07797	5.3
378.08047	18.7
470.14526	3.5
470.29633	3.8
471.25412	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.5
59.01381	44.7
61.98837	29.8
62.77417	4.8
63.77445	4.6
64.95239	17.6
67.05390	4.3
70.99613	39.8
71.01392	7.4
71.18812	13.1
73.01173	10.3
79.93981	5.2
79.95740	4.8
85.02946	5.7
89.00683	11.9
91.16842	5.0
96.32972	4.9
98.08398	4.8
99.00880	27.1
99.04497	6.4
104.98395	7.7
110.94007	8.6
112.98801	52.1
119.97039	5.8
142.99852	24.4
161.01045	6.9
173.00917	100.0
174.01703	14.5
234.32353	5.2
245.01105	8.3
247.02869	18.9
282.19571	5.8
483.83344	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	470.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01378	5.4
61.98830	100.0
70.10039	0.9
71.61442	1.7
79.95737	1.6
85.02935	1.0
99.00871	2.7
99.04515	1.3
99.80707	1.0
113.08065	0.8
114.01953	3.1
118.59001	1.0
142.99818	1.1
173.00832	1.3
174.01656	2.5
174.04063	2.9
192.47781	1.1
208.06136	9.6
268.08237	4.2
279.00119	1.5
300.05408	3.2
302.07007	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	470.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98041	4.6
58.02957	3.4
59.01372	7.8
61.15934	2.9
61.98827	19.9
63.96261	3.0
69.51630	14.6
69.52039	4.1
71.01395	4.7
72.00397	3.7
72.00930	5.0
73.04057	5.2
73.07507	2.6
73.98318	7.0
74.02470	23.6
74.99112	5.2
76.57986	2.6
79.93955	3.3
80.91699	7.7
81.02203	11.1
82.03001	2.9
84.04520	3.1
84.97521	3.6
86.02479	23.9
87.05626	5.5
88.04018	3.2
90.00188	3.0
97.04076	3.8
98.02475	3.3
98.19841	3.3
99.05643	20.1
100.00414	8.5
104.98400	6.1
114.00153	4.9
114.03825	6.4
123.05589	3.3
125.03558	8.2
125.07220	3.4
127.05132	7.1
128.03537	86.5
129.10255	3.0
130.08696	6.7
136.99106	3.7
143.04620	86.4
143.11876	4.2
144.04889	3.0
145.06195	25.9
146.04599	6.5
146.08220	8.2
153.06752	4.0
160.00716	26.0
160.43132	3.2
167.04659	4.0
169.06181	5.1
169.09700	3.5
171.07726	14.1
177.03419	3.8
179.04614	12.1
184.72939	2.6
185.05682	8.4
187.00484	2.7
191.28894	2.6
192.07890	3.0
197.05713	3.1
199.07237	7.3
200.14066	5.0
201.05045	3.4
210.08841	14.5
213.22090	2.7
218.05229	3.0
225.13527	5.2
244.09258	6.1
249.05539	2.8
254.07886	21.8
272.08871	100.0
273.09280	10.3
277.12244	11.2
288.06592	14.2
304.06064	69.8
306.07635	85.0
307.07797	5.3
378.08047	18.7
470.14526	3.5
470.29633	3.8
471.25412	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	82.0
57.23438	3.3
59.01381	100.0
61.98840	36.7
70.99614	57.6
71.01386	15.8
71.61037	5.3
75.00884	3.7
79.95745	12.0
81.03464	4.4
85.02963	5.8
89.00673	12.3
89.69502	3.2
93.39077	3.3
99.00900	23.5
99.04532	83.1
101.02455	16.6
111.00907	4.4
112.93739	4.7
112.98813	61.1
113.01544	3.1
113.02499	3.5
125.02436	33.8
130.08771	7.5
142.99890	29.5
143.04672	3.7
161.01009	16.4
161.02339	5.7
173.00920	91.2
174.01535	11.4
174.04018	5.1
208.06178	16.0
245.01100	5.4
247.02847	11.1
268.08194	10.9
272.01361	3.8
283.78967	4.1
302.07074	14.3
353.20801	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	469.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	47.5
59.96732	5.4
61.98826	14.0
69.78942	4.0
70.76456	4.1
70.99611	55.2
71.01390	13.8
71.38589	8.6
73.01176	16.5
85.02998	4.7
89.00670	27.4
99.00893	17.5
104.98371	8.3
110.30711	4.3
111.00889	6.5
112.98807	61.5
113.28391	4.3
115.00320	5.0
120.97897	13.0
121.05118	4.3
137.93646	4.8
142.99936	20.6
145.01390	6.3
152.05389	9.0
161.00993	12.5
173.00920	100.0
174.01555	16.5
245.01314	5.8
247.02815	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	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.98832	100.0
69.99502	2.0
84.03522	0.5
84.23335	0.6
89.02432	1.0
99.35910	0.6
101.02445	1.3
127.05238	1.2
128.17902	0.6
149.04619	0.9
164.24138	0.7
196.10976	1.1
203.08310	1.9
220.30501	0.6
235.79346	0.7
258.10895	1.4
468.15500	1.3
468.21722	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	468.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48386	2.5
56.98008	4.4
58.02968	6.3
58.63646	2.3
58.99605	2.9
59.49109	2.6
61.98825	10.2
63.96240	5.0
69.55893	20.4
72.00382	3.9
72.00887	2.9
73.98311	6.2
74.02473	25.2
81.02203	6.4
82.02972	3.5
86.02486	13.9
87.05645	5.7
97.04076	3.3
98.02440	5.3
98.19812	2.6
99.05645	11.9
100.00394	7.3
102.05574	3.0
104.98352	3.9
112.04096	3.5
114.00177	6.9
120.97855	6.6
122.17831	2.5
127.05117	4.0
128.03552	63.9
135.05652	4.3
138.00124	2.8
142.19461	2.7
143.04634	77.7
145.06238	19.3
146.04568	8.8
146.63641	2.6
147.38356	2.4
160.00752	21.5
166.09819	5.3
167.04539	5.3
171.07767	15.4
179.04645	14.4
181.06267	4.4
184.02654	2.5
185.05666	4.5
197.05681	4.1
199.07231	6.7
210.08791	14.1
244.09470	6.2
249.05568	3.6
254.07846	23.4
272.08875	100.0
273.09247	9.0
288.06528	8.1
304.06067	39.9
306.07666	82.4
307.08011	7.1
378.07974	23.7
394.07098	3.3
395.08173	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	468.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10541	1.7
56.98030	2.9
58.02969	7.5
58.38489	1.6
58.99606	2.2
59.01369	3.5
59.99137	2.1
61.98830	17.5
63.96232	6.2
67.00879	1.7
69.68950	11.3
71.01376	4.2
72.00398	5.7
72.00908	5.9
73.98327	8.1
74.02472	23.0
77.63683	1.9
81.02204	5.5
82.02990	1.9
84.04521	1.6
84.97555	2.3
85.04049	1.5
86.02480	19.9
87.05629	4.4
88.04055	3.2
89.02431	1.8
97.04037	2.2
98.02460	4.8
99.05655	13.6
100.00410	6.5
101.02460	4.3
101.07179	3.5
104.98376	3.7
109.04079	2.0
112.03053	1.8
112.03972	1.9
113.02461	2.3
114.00187	8.2
124.04014	2.6
125.02382	2.2
125.03545	2.5
127.05135	6.9
128.03545	66.2
135.05643	3.3
137.07190	2.7
141.06761	2.1
143.04622	68.9
144.04947	2.9
145.06189	21.3
146.04573	5.9
153.06697	4.1
155.08292	3.2
160.00755	14.5
164.86433	1.7
167.04601	5.0
167.08199	2.6
169.06227	2.7
171.04117	3.7
171.07758	18.4
179.04585	10.3
181.06201	4.4
185.05640	7.7
197.05687	2.0
199.07202	8.9
201.05228	3.4
210.08900	9.5
217.08304	2.5
218.05450	3.3
221.43501	2.1
228.09711	2.1
244.09401	10.3
249.05690	2.2
254.07866	19.8
259.08115	2.3
272.08878	100.0
273.09445	10.0
286.04929	1.8
288.06586	5.8
304.06100	42.7
305.08749	4.5
306.07645	61.8
307.07867	2.4
338.04794	6.8
378.08105	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	468.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91232	1.0
58.02962	2.6
58.99615	1.5
61.98833	5.7
63.96230	2.9
71.01378	1.1
72.00394	1.2
72.00917	2.0
73.01165	14.7
73.98312	2.7
74.00697	2.0
74.02480	9.4
81.02204	3.5
82.02975	3.8
84.97538	1.4
85.04083	3.7
86.02470	5.3
87.05641	2.9
97.04071	11.2
98.02464	1.7
98.20655	2.4
99.05662	5.1
100.00401	7.2
102.00224	6.4
102.31438	1.0
105.99679	14.6
109.04066	2.6
113.03557	1.4
114.00188	5.9
116.01775	2.1
125.03592	1.4
126.04331	1.3
127.05125	3.1
128.03543	53.7
135.05669	3.8
141.03035	2.5
142.22334	1.1
143.04613	18.6
144.04913	1.0
145.06195	7.9
146.04631	2.4
151.05138	3.3
153.06686	6.8
160.00722	13.8
164.08322	1.1
166.09891	1.2
169.06204	6.1
169.34508	1.0
172.56148	1.1
175.01826	16.2
176.00133	1.0
179.04648	8.5
182.09352	2.8
185.03967	2.5
185.05565	1.5
197.05699	9.6
203.04997	2.8
210.08900	2.8
226.08388	4.7
237.90839	1.0
252.06352	1.7
254.07799	6.1
272.08868	16.1
273.09360	1.1
286.05011	6.1
291.07159	1.4
304.06082	100.0
305.06363	6.3
306.07697	15.4
307.08121	1.5
378.08047	6.7
393.06723	1.0
420.71738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20493	1.3
58.02977	2.9
58.99595	1.8
59.01346	2.3
60.60106	1.3
61.98830	2.8
62.28941	1.3
63.96220	4.4
64.80894	1.4
67.44758	1.5
68.45539	1.3
69.51626	10.8
69.52023	3.0
71.24773	1.4
72.00391	2.2
72.00921	1.4
73.01178	13.2
73.98312	5.3
74.00699	1.8
74.02475	9.7
75.21683	1.4
76.18851	1.4
78.03189	1.3
81.02191	3.4
82.02980	5.0
85.04078	3.3
85.07449	1.5
86.02470	6.8
86.99148	1.5
87.05614	1.8
87.06130	1.5
97.04075	14.0
98.02470	1.7
99.05631	5.7
100.00425	7.3
102.00194	6.9
105.99685	12.0
106.79595	1.5
109.04047	2.6
113.03596	2.0
114.00184	5.2
116.01731	2.4
126.04323	1.8
127.05103	3.6
128.03537	56.4
131.02831	2.3
135.05644	4.9
141.03055	3.3
143.04623	19.2
145.06207	10.0
146.04584	4.0
151.05048	2.7
153.06671	4.7
160.00743	14.2
169.06160	6.5
175.01840	17.0
179.04617	11.3
197.05632	5.5
203.05013	2.7
210.08838	4.5
214.08327	1.7
226.08380	5.0
252.06319	2.3
254.07843	5.3
259.08026	2.1
272.08896	17.3
286.05029	7.5
304.06091	100.0
305.06494	8.2
306.07700	19.6
307.07709	1.7
342.03546	1.5
360.46219	1.5
378.07950	6.0
492.19873	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	467.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27990	1.6
57.03185	3.1
57.03452	43.9
59.01104	2.2
59.01381	41.6
61.98831	18.8
69.67567	6.0
69.68005	5.8
70.99603	17.4
71.01376	6.4
73.01167	3.2
78.61106	1.5
78.95917	2.7
79.95748	4.7
81.03436	2.3
85.02949	3.0
86.99096	6.4
87.00875	3.4
89.00672	37.9
89.02448	2.8
90.01022	3.5
91.00247	3.4
93.03484	3.3
96.96940	2.9
99.00878	6.3
99.04518	51.4
101.02395	8.1
104.98303	1.9
112.98824	20.7
113.02467	2.9
119.05029	100.0
120.05338	4.1
125.01616	2.4
125.02453	28.8
128.03534	2.1
140.98360	2.4
142.99884	12.5
143.04626	2.0
158.99498	1.7
173.00903	32.7
174.01563	6.6
175.02443	1.9
193.13765	1.8
245.01189	3.2
247.02789	14.0
263.09973	2.0
272.08838	2.2
290.17743	3.3
291.17996	2.5
467.16101	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	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03447	1.8
58.00596	1.2
59.01384	46.6
60.01707	1.4
61.98829	3.6
63.96235	2.5
69.49329	7.0
71.01384	32.8
72.99318	1.3
73.02948	14.8
75.00867	0.9
76.46326	1.1
78.91879	4.7
78.95911	2.2
78.98602	5.0
83.01389	9.0
85.02960	14.7
87.00888	2.1
89.02435	5.0
92.39471	1.0
95.01378	2.1
98.02476	1.0
99.00883	6.3
99.04536	0.9
101.02447	34.0
103.04037	1.5
111.37590	1.0
113.02467	14.6
119.03502	1.0
125.02486	3.3
128.03532	2.1
143.03490	2.0
143.04565	1.4
146.04620	1.1
150.99513	1.1
159.02985	3.4
161.04572	14.7
163.06148	1.1
186.12579	1.3
204.08090	1.1
261.13419	61.3
262.13788	3.7
268.81180	1.1
306.07559	2.3
407.19214	100.0
408.19427	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	466.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01381	12.0
60.01722	1.1
60.03551	0.5
61.98833	100.0
63.99274	0.5
64.85004	0.5
71.01394	3.8
72.01736	0.7
75.00870	1.2
78.95908	3.8
81.03476	0.7
81.69449	0.5
82.56689	0.5
85.02975	0.8
87.00912	0.8
89.02460	2.9
99.00913	0.6
99.04541	1.8
99.92614	0.5
101.02441	2.1
113.02482	1.5
119.03514	1.4
120.03880	0.6
125.02480	2.4
140.07196	1.3
161.04550	0.9
179.05724	0.9
187.02531	1.2
188.02834	0.9
206.20615	0.5
210.05630	2.9
210.15443	0.5
214.43959	0.6
255.03023	1.6
284.03223	0.8
285.04013	1.0
304.06168	0.7
406.21793	2.2
467.16827	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	466.2938
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
52.53083	0.7
61.98764	0.9
65.56599	0.6
71.61515	1.1
78.95807	16.3
78.96301	1.6
91.82526	0.7
102.60948	0.7
116.92803	1.1
140.01186	4.6
152.99530	1.6
196.03792	10.2
204.98247	0.7
214.04814	2.8
269.24854	100.0
270.25220	11.4
319.29449	0.6
367.26511	0.9
384.10803	0.8
451.43646	0.7
466.29788	26.0
467.30261	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	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
59.01376	10.3
60.01712	0.8
61.98831	100.0
62.54337	0.7
71.01380	6.1
74.54939	0.6
78.95924	2.0
83.01382	1.0
85.02979	2.5
87.00869	1.2
89.02476	2.0
96.96964	0.7
98.19894	1.4
98.21425	0.7
99.04527	2.9
101.02457	3.6
113.02460	3.0
117.24505	0.7
119.03497	1.1
125.02449	1.8
161.02454	2.4
161.04582	1.0
166.05035	0.7
179.05627	0.9
227.03503	1.9
255.03018	3.0
284.03387	2.4
285.04001	3.4
287.13986	5.3
323.17203	2.2
367.19861	0.8
406.21536	1.4
449.19284	1.0
466.10962	1.8
467.16592	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	466.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91711	0.3
59.01381	1.9
61.98829	100.0
63.21976	0.3
69.74616	0.3
70.74199	0.9
71.01381	0.3
85.02984	0.4
101.02458	0.4
113.02454	0.3
133.84265	0.3
139.67740	0.3
224.13722	0.6
225.14102	0.5
261.13486	0.5
340.10446	0.3
342.04089	0.3
407.19385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
59.01382	92.7
61.98826	21.8
67.68783	1.6
70.76180	2.4
70.76517	4.0
71.01388	8.5
71.55478	1.7
73.02934	2.6
73.23936	1.7
76.06846	2.0
79.95742	4.6
81.03464	3.8
85.02934	3.1
89.02428	2.2
96.96030	4.7
99.04521	82.3
100.04857	2.6
101.02449	20.0
113.02435	2.9
123.04503	3.0
125.02443	27.4
135.04597	4.4
138.33116	1.7
143.03482	2.2
145.02928	2.5
161.04518	3.3
227.03365	2.8
235.11960	2.7
255.03067	3.6
273.03009	3.8
300.02637	4.0
301.03299	5.7
302.03397	7.8
303.04227	3.9
465.09296	9.5
474.05664	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17943	0.3
59.01382	2.2
61.98831	14.5
64.34685	0.3
69.68349	2.0
76.84279	0.3
78.95905	100.0
79.95718	0.3
80.46888	0.3
96.96964	9.5
109.63859	0.3
150.98007	1.8
152.99588	93.7
153.99937	1.9
156.78456	0.3
171.00613	3.6
174.71573	0.3
181.92543	0.3
267.19611	1.8
275.16495	0.4
293.17731	1.0
311.18750	0.7
396.68842	0.4
447.17834	2.6
448.17859	0.4
465.18973	24.8
466.19330	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	465.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52951	0.4
55.03275	0.5
57.03449	100.0
58.03780	1.4
59.01380	84.7
60.01712	1.2
61.98819	2.9
63.90666	0.4
66.32117	0.4
71.01397	2.8
71.60688	1.0
73.02956	1.3
79.95738	1.0
80.05417	0.5
81.03457	3.6
83.01405	0.8
85.02947	1.7
87.55495	0.5
89.02480	0.8
99.04520	92.8
100.04848	3.0
101.02439	15.0
102.02755	0.8
113.02439	0.9
122.06134	0.9
125.02449	31.2
126.02818	1.1
140.05855	0.5
143.03574	1.3
155.29637	0.5
161.04558	1.1
168.00510	0.5
185.94891	0.5
203.04691	0.4
205.46715	0.5
259.10910	1.0
262.59991	0.5
279.14462	1.5
285.12329	1.4
321.15536	1.1
465.09772	0.9
465.19391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41249	1.1
52.82098	1.3
57.03443	5.7
58.00584	2.4
59.01379	100.0
60.01728	1.2
61.98820	8.4
64.41203	1.3
68.51125	1.3
68.58926	1.1
71.01382	31.9
71.14484	2.5
72.01698	1.4
72.99312	2.2
73.02956	1.8
78.95927	1.3
85.02943	4.8
87.00883	3.5
89.02448	36.4
95.01381	1.7
99.04556	1.5
99.41552	1.1
101.02453	16.5
113.02443	13.4
119.03498	16.7
131.03458	1.5
134.07289	2.0
139.07619	1.4
143.03455	3.8
149.04541	2.6
149.09724	26.5
153.09229	9.8
159.03116	1.2
161.04576	11.4
167.10776	48.4
168.11070	3.0
179.05566	10.2
225.14972	6.1
233.10260	1.6
243.16019	7.4
282.87994	1.4
375.12924	1.6
405.21280	46.7
406.21494	5.1
466.15860	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	466.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84657	0.4
59.01382	4.0
61.98830	100.0
71.01398	1.2
78.95903	4.8
85.02930	0.5
89.02462	1.5
101.02462	0.9
113.02455	0.4
117.37365	0.4
135.06889	0.4
178.91389	0.4
277.40244	0.4
277.59561	0.4
284.03436	0.7
285.04123	0.9
287.13953	2.8
343.63022	0.4
379.61829	0.4
405.21835	0.5
407.59958	0.5
449.19342	1.2
467.16592	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01378	8.1
60.01715	0.6
61.98830	100.0
62.98512	0.3
63.06010	0.3
69.43486	2.3
71.01382	2.2
73.02938	0.4
73.53147	0.3
74.31406	0.3
85.02949	0.9
87.00883	0.4
89.02468	1.6
99.04537	0.7
101.02471	1.6
113.02478	1.1
116.33838	0.3
119.03543	0.6
125.02525	0.3
129.79926	0.3
143.03381	0.4
155.39001	0.3
161.04576	1.3
169.54526	0.3
179.05682	0.4
207.74214	0.3
404.20111	0.9
405.21423	1.0
416.72839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89091	0.4
55.52138	0.4
57.03450	5.2
58.54107	0.4
59.01381	11.1
61.98830	100.0
70.23296	0.7
70.23695	1.1
71.01385	2.9
73.02943	1.2
75.00875	2.0
83.01408	0.7
85.02966	1.8
87.00881	0.5
89.02454	1.5
99.00898	0.4
99.04532	4.0
101.02437	2.8
113.02451	2.6
116.92854	0.8
117.03474	1.0
119.03472	0.6
119.05087	0.4
121.02982	0.4
123.04479	0.5
125.02451	4.6
138.10065	0.4
145.03021	0.7
151.00412	0.5
153.01921	0.7
153.09203	0.6
161.04564	0.5
163.06186	0.5
174.01707	0.5
180.83676	0.4
184.97643	0.6
205.07234	0.5
223.13362	0.5
227.03534	0.9
229.14394	3.4
230.25583	0.5
242.15094	0.4
253.09302	0.6
255.03009	1.9
284.03372	1.1
285.04095	2.1
303.05179	0.4
328.14313	0.4
329.05087	0.5
377.08694	2.3
404.20282	0.7
405.21255	0.8
464.22934	1.1
465.10907	2.0
465.20078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01162	1.2
59.01484	5.6
61.98595	1.0
61.98941	4.8
64.97661	0.8
65.21600	0.6
66.96765	0.7
68.87215	0.8
71.61104	1.1
75.41817	0.7
77.57131	0.7
78.96037	3.0
79.95798	0.8
95.03867	0.9
95.05154	0.9
97.00275	0.7
107.03842	0.7
120.04654	1.0
121.05486	1.4
122.06294	7.4
124.07912	1.1
134.06291	3.6
136.07846	2.1
146.06236	0.8
150.09244	3.7
152.99767	2.9
162.89618	0.9
197.07251	0.8
211.08902	2.1
213.10394	1.2
223.08942	2.8
224.09770	2.2
225.10435	1.4
226.11113	3.4
227.12045	1.2
236.09723	0.8
237.10475	2.5
238.11258	2.4
239.11858	5.7
241.13708	1.1
251.11951	6.1
252.12808	3.0
253.13463	33.7
254.13844	4.1
267.11453	2.1
285.12631	2.4
289.13507	0.8
303.15228	0.9
304.14734	2.4
305.16452	1.6
313.98849	0.8
316.11130	2.0
317.11703	1.6
317.16675	1.7
318.12592	3.2
318.16394	1.5
319.13449	1.2
330.12537	3.0
331.13330	1.4
332.13959	5.6
332.17401	0.8
333.14737	2.4
333.19791	2.2
344.13974	1.3
345.14804	1.0
346.15622	7.4
347.16144	1.9
348.17175	30.5
349.17407	3.6
360.17276	8.0
361.17737	2.3
376.20291	23.6
377.20554	3.1
402.18298	2.0
420.19275	100.0
421.19611	15.8
446.17117	1.3
464.18188	37.0
465.18546	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68238	0.2
54.39902	0.2
57.03452	0.6
59.01381	8.0
61.98831	100.0
62.98522	0.3
69.86173	0.2
69.89318	0.4
69.89702	0.6
71.01382	3.0
72.99319	0.3
73.02958	0.4
83.01395	0.3
85.02969	1.0
85.58376	0.2
87.00867	0.5
87.05608	0.4
88.04042	0.4
89.02453	2.6
95.01412	0.3
96.81322	0.2
98.19894	0.2
99.04552	0.3
101.02456	1.6
113.02454	1.1
113.03590	0.3
119.03502	0.8
120.99697	0.4
125.02479	0.7
143.03542	0.3
145.06129	0.4
146.06107	0.7
149.02370	0.2
151.00386	0.7
161.04584	0.8
167.10793	0.4
179.05630	0.6
187.02495	0.3
205.12434	0.3
206.12787	0.3
223.13435	0.5
224.13695	0.6
234.12561	0.5
240.10345	0.6
241.14517	0.4
242.14781	0.5
243.03113	0.5
243.16043	0.3
244.03271	0.6
254.02344	0.3
255.02905	0.4
256.03397	0.9
259.08359	0.3
271.02466	2.0
272.02814	2.9
273.03101	0.4
284.09201	1.8
300.02756	1.8
301.03183	4.5
302.03766	1.8
405.14206	0.6
405.21274	2.0
420.18845	1.8
464.09183	6.6
464.15753	0.5
464.22101	0.4
465.09811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24883	1.2
57.03454	6.6
58.63520	1.2
59.01382	100.0
61.98831	14.9
64.84465	1.5
67.38573	1.4
70.37091	4.3
71.01387	27.7
72.01830	1.3
73.02970	6.5
75.27862	1.1
79.20197	1.2
83.01380	2.3
85.02955	9.6
87.00865	1.8
89.02449	12.4
95.01372	2.0
97.02916	1.5
99.00870	3.6
99.04565	6.5
99.05075	1.2
101.02450	17.6
113.02451	18.4
119.03481	5.4
125.02434	3.1
139.07616	2.3
143.03493	3.9
159.03020	2.2
161.04570	27.3
161.09720	25.7
162.10040	2.4
164.08380	2.0
170.29817	1.2
176.71838	1.2
179.05559	4.3
179.10793	30.3
180.11143	2.4
205.12352	8.3
208.11110	1.4
223.13396	43.6
224.13770	4.7
241.14337	2.2
270.29028	1.2
319.13760	1.4
403.19577	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	463.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03448	1.8
57.90512	0.3
58.00600	0.6
59.01097	0.6
59.01384	9.7
61.98826	4.9
65.68333	0.3
68.99820	0.3
69.03434	0.4
70.99673	0.3
71.01388	8.9
72.99313	3.8
73.01167	0.4
73.02590	0.4
73.02957	3.7
75.00861	0.6
83.01376	2.4
83.05025	3.2
85.02956	5.1
86.00082	0.8
86.03216	0.3
87.00890	0.9
89.02469	1.9
92.71617	0.3
95.01386	1.0
98.19811	0.6
99.00873	1.4
99.04537	1.6
101.02448	8.5
107.01372	0.4
108.04532	0.7
111.00909	0.6
111.04511	2.3
112.04758	0.3
113.02461	3.3
113.09863	0.3
119.03497	0.6
121.02967	0.4
124.07676	0.5
125.02469	0.7
129.05579	0.4
136.07681	1.6
143.03528	0.4
151.00365	1.8
159.03033	0.5
161.04550	0.9
178.99864	0.6
195.92511	0.3
199.13423	0.5
207.76831	0.3
209.11896	0.5
219.17509	0.4
227.12877	0.8
237.18622	1.4
253.09085	0.3
255.02939	0.6
257.12961	5.5
258.13315	0.4
265.18100	0.5
271.02466	1.2
272.03299	0.4
283.19116	1.3
300.02649	2.2
301.03467	4.0
301.11914	3.0
301.20145	2.2
315.13562	1.2
343.12979	1.3
399.24402	0.3
445.24408	1.3
463.08850	1.9
463.25507	100.0
464.25729	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52683	0.7
57.03441	1.9
59.01381	100.0
60.01733	0.9
61.98835	6.4
63.52979	0.7
71.01382	7.2
73.02957	1.4
85.02950	2.4
87.00916	0.9
89.02443	6.1
99.04510	1.8
101.02467	2.5
102.76717	0.6
106.06707	0.6
106.69061	0.7
113.02467	2.6
113.06112	0.7
119.03514	2.9
124.12971	0.7
125.02527	0.8
143.03485	1.1
152.82034	0.7
161.04565	4.1
165.09230	0.9
179.05609	6.3
205.12352	3.7
223.13422	5.8
315.42438	0.8
403.20016	0.8
463.22055	1.0
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
55.01863	0.7
55.58893	0.3
58.00584	0.3
59.01091	0.5
59.01378	8.6
59.59033	0.3
61.98833	0.9
64.19833	0.3
69.10869	0.3
69.44623	1.9
71.01385	6.8
72.99315	0.3
73.02943	1.4
76.37098	0.3
79.95737	0.8
83.01388	0.7
85.02956	2.0
87.00874	0.7
89.02446	5.2
91.04019	0.4
95.01385	0.3
97.02960	0.5
98.20638	0.5
99.00862	0.5
101.02451	5.9
102.02824	0.3
111.08170	0.7
113.02435	3.0
119.03515	1.2
131.03500	0.4
143.03520	0.5
161.04543	2.0
165.12846	8.3
166.13142	0.5
179.05667	0.6
183.13893	100.0
184.14233	6.9
209.11816	1.6
227.12878	8.6
233.46579	0.3
235.08220	1.3
240.68150	0.3
246.81491	0.3
253.06604	0.4
253.09283	8.4
254.09671	0.5
266.57513	0.3
271.02390	0.7
300.02747	0.9
301.03406	0.7
301.16483	0.5
346.54288	0.3
375.09021	0.4
445.20947	0.6
463.21835	60.0
464.22086	8.6
475.24048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16932	0.3
55.01884	0.6
57.03454	0.5
59.01377	4.7
61.98842	0.5
62.21811	0.3
63.46750	0.3
69.50110	2.1
71.01392	3.6
72.27724	0.3
73.02943	1.1
79.93957	0.3
79.95736	0.6
85.02930	0.9
87.00867	0.5
89.02450	2.5
93.26364	0.3
100.08818	0.3
101.02446	3.4
111.08161	0.6
113.02463	1.8
119.03500	0.6
161.04584	1.0
165.12845	7.4
166.13193	0.5
179.05515	0.4
183.13898	100.0
183.93329	0.5
184.14232	6.4
193.35306	0.3
209.11835	1.8
211.88881	0.3
227.12888	10.8
228.13217	0.5
235.08238	1.2
253.09279	4.9
300.02762	0.6
445.20917	0.5
463.21854	57.2
464.22150	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	463.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
61.98832	1.9
71.60981	1.4
78.95893	8.2
83.63104	1.0
104.73643	1.0
110.98539	1.9
113.28848	0.9
132.00304	1.1
149.00087	33.4
152.99586	1.0
157.20625	0.9
167.01138	2.1
194.98860	100.0
195.13890	1.7
195.99208	3.6
216.18898	0.9
223.55009	1.2
245.86426	1.1
252.08797	1.4
265.21722	1.1
271.02542	1.5
277.21860	1.6
288.25153	1.0
295.22858	11.1
296.23306	1.2
300.02789	1.7
301.03519	1.4
305.33792	1.1
350.88995	1.1
368.76733	1.1
463.11160	61.0
463.24561	4.8
464.11566	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69227	0.6
57.03448	2.4
59.01382	100.0
60.01717	1.2
61.98830	5.2
68.04477	0.7
71.01382	10.7
73.02955	1.6
83.01386	0.7
85.02970	3.3
88.80612	0.7
89.02448	10.7
101.02450	4.9
113.02440	5.0
113.06128	1.6
119.03510	5.1
125.06023	0.8
137.09743	1.5
143.03545	1.4
153.09216	1.1
161.04514	5.4
165.09218	1.2
176.15628	0.7
179.05620	10.0
187.11319	1.0
205.12424	2.3
223.13399	11.7
224.13759	0.8
241.14523	1.3
403.19739	1.6
463.22131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59779	0.5
55.74488	0.4
57.03463	0.5
59.01379	4.6
61.98832	100.0
69.79312	1.5
69.79722	0.9
70.99630	0.9
71.01398	1.2
75.00891	0.6
75.90058	0.4
89.00681	2.6
89.02451	0.4
98.19873	0.9
101.02464	0.7
113.02421	0.5
117.76522	0.5
173.00905	0.6
253.11255	0.8
255.03201	0.5
271.02499	0.9
286.14368	3.4
287.88992	0.5
300.02829	1.3
301.03604	1.4
404.07739	0.5
441.13565	0.6
462.10815	0.7
462.24945	0.5
463.09131	1.5
463.25757	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	462.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01379	4.8
61.98832	100.0
63.02413	0.4
64.95255	0.4
69.74954	0.3
71.01384	2.2
73.01185	0.5
73.02953	0.7
74.58650	0.3
75.27612	0.3
79.62659	0.3
79.94000	0.5
79.95734	4.6
80.96512	0.7
83.01379	0.7
85.02975	0.9
87.00882	0.5
89.02446	1.2
90.63925	0.3
95.01442	0.3
95.54324	0.3
96.24640	0.3
98.19839	1.0
99.00927	0.4
99.04514	0.6
101.02451	1.7
107.01404	0.7
113.02454	1.4
121.02951	0.4
122.00827	0.3
125.02444	0.5
128.03592	0.3
143.90170	1.8
144.91005	0.9
146.08295	1.1
151.00368	2.9
161.02498	0.6
161.04637	0.5
163.60481	0.3
165.20886	0.3
175.02496	0.4
178.99899	1.2
179.05656	0.4
225.11440	1.0
230.30443	0.3
255.02979	0.9
257.12915	0.5
259.57022	0.4
271.02539	1.1
277.12256	1.4
284.02991	0.4
285.38617	0.3
300.02792	2.2
301.03552	6.0
328.15732	0.3
461.24918	0.4
462.20892	0.5
463.07809	5.7
463.25531	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	463.0882
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
63.02391	1.0
65.00323	1.3
69.50632	1.4
69.51058	1.6
69.72691	0.4
80.53874	0.4
83.01379	0.9
88.35446	0.3
93.95491	0.3
95.58222	0.4
95.66006	0.4
107.01387	3.4
108.02176	1.7
109.02930	1.2
119.01348	0.4
121.02946	2.5
124.01583	0.5
135.00859	0.8
148.01691	1.6
149.02356	0.4
151.00368	11.8
152.00893	0.4
163.00352	2.6
164.01088	0.7
169.01500	0.6
178.99846	5.9
187.04010	0.5
188.04825	0.4
191.00006	0.4
199.04008	1.1
201.02011	0.5
201.05539	0.5
209.11833	0.4
211.03979	1.4
211.05798	0.4
215.03506	0.5
216.04192	0.9
226.02734	2.3
227.03477	3.5
229.05005	0.8
239.03473	0.4
243.00366	0.6
243.02960	12.9
244.03412	1.2
245.04517	1.1
254.02158	2.5
255.02969	28.2
256.03381	2.8
271.02466	67.6
272.02890	6.7
273.03967	1.1
279.02066	0.4
283.02466	1.3
299.02133	1.0
300.02744	100.0
301.03464	58.3
302.03821	5.0
343.04602	0.5
388.94861	0.4
463.08817	72.1
464.09076	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13703	1.0
58.00569	1.1
59.01382	100.0
61.98822	3.7
71.01388	18.4
71.01772	1.8
71.09720	2.3
73.01134	1.1
73.25222	0.9
79.95737	1.7
80.96513	1.5
85.02937	3.2
87.00855	1.2
89.02448	28.3
92.84627	1.0
93.03459	2.9
95.01382	1.7
101.02440	10.2
104.98381	2.2
113.02439	8.5
119.03516	10.5
131.03529	1.1
137.00360	1.0
137.02478	8.3
143.03499	1.9
161.04507	1.9
179.05621	4.8
262.25751	1.0
285.03955	4.1
331.19482	1.0
342.63123	1.0
353.77420	1.0
461.25092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.2
61.98521	5.4
61.98833	100.0
69.55409	8.7
69.55839	8.6
78.95904	11.0
132.90065	2.6
152.99599	16.5
173.00653	2.2
174.01532	2.5
182.94301	4.1
186.13516	2.7
271.02338	3.2
293.21133	3.0
300.02625	4.8
301.03751	4.1
463.09042	5.9
463.20422	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	462.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72421	0.6
56.15105	0.6
57.03452	2.2
59.01382	6.5
61.98833	100.0
69.40810	5.0
71.01382	2.8
72.99332	0.8
73.01183	2.0
85.02960	0.6
98.20568	1.1
99.00941	0.7
99.04531	0.9
101.02441	1.6
113.02480	1.1
121.54163	0.5
128.03520	1.2
143.04593	1.0
151.00449	0.7
271.02338	1.2
295.11185	0.7
297.22278	0.7
299.04907	1.0
300.02737	2.3
301.03537	1.4
306.07883	1.1
326.92850	0.6
381.34091	0.6
461.23715	1.3
462.11722	0.6
463.09122	1.8
463.25769	2.2
473.99271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88517	0.3
57.03446	0.9
59.01378	10.8
60.01691	0.2
61.98830	100.0
62.98526	0.3
65.07033	0.3
71.01379	3.1
72.54614	0.3
72.99306	0.5
73.02946	1.2
75.00863	2.9
83.01421	0.6
85.02969	1.1
89.02448	2.1
95.01390	0.3
96.96018	1.0
99.00885	0.3
99.04504	0.7
101.02438	2.7
111.00914	0.3
113.02454	2.2
119.03487	0.4
120.01222	0.3
123.08094	0.3
125.02437	0.6
134.03770	0.3
151.00394	0.7
156.45383	0.3
159.02914	0.3
161.04559	2.0
178.05826	0.3
178.99939	0.4
179.05658	0.7
179.10799	0.4
193.05132	0.5
209.11891	0.6
223.13380	0.4
229.58153	0.4
241.14508	1.0
255.03014	0.6
271.02597	1.4
300.02707	2.2
301.03549	2.1
327.07907	0.3
357.15366	0.4
358.15839	0.4
403.19995	1.5
462.24200	0.3
463.08566	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36255	0.6
52.96420	0.5
57.03447	11.6
58.00608	0.5
59.01379	75.0
60.01722	1.2
61.98832	2.9
64.45860	0.4
69.03455	0.8
69.44134	3.4
69.58456	0.4
71.01382	27.0
71.05023	0.4
72.99326	0.9
73.02947	29.4
83.01390	8.2
83.05038	1.1
85.02934	2.4
85.06590	1.5
87.00891	1.0
89.02457	5.0
95.01396	0.6
97.02981	0.7
98.20769	0.5
99.00900	0.8
101.02447	21.2
107.04234	0.4
111.04565	0.5
113.02462	5.0
115.04017	8.0
119.03504	1.9
125.02464	0.5
131.03520	1.2
131.47989	0.4
143.03523	1.8
149.04550	1.4
153.52812	0.4
161.04572	4.6
167.14442	4.5
168.14774	0.5
168.97403	0.4
177.16440	1.0
179.10808	0.9
179.14381	0.9
191.29509	0.4
195.17499	0.8
203.05556	0.4
210.87106	0.5
221.06665	0.6
221.15439	3.9
238.68483	0.4
239.16521	100.0
240.16875	9.0
255.97726	0.4
257.17563	1.1
275.04498	0.5
401.21799	1.6
419.22858	10.5
420.23096	1.3
461.23920	29.2
462.24088	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	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
57.03436	1.5
58.00581	2.6
59.01377	100.0
61.63902	1.1
61.98824	12.2
62.77897	1.1
63.97733	1.1
65.01797	1.1
67.53741	1.3
70.75523	1.3
71.01381	69.7
71.60935	1.4
72.99315	5.6
73.02934	7.9
75.00861	2.2
76.13007	1.1
83.01392	4.9
85.02948	21.2
87.00872	8.5
89.02443	79.2
95.01388	4.6
97.02948	1.7
99.00861	1.7
100.19564	1.1
101.02441	44.9
102.45768	1.2
104.43326	1.0
105.01907	1.9
113.02444	34.7
113.03596	1.4
114.02831	1.6
119.03503	33.1
119.04999	13.4
125.02497	1.4
129.01917	1.4
130.08737	2.2
131.03506	8.4
137.02472	1.9
137.06110	5.1
138.05594	11.3
143.03526	7.9
149.04587	3.5
157.93739	1.4
159.02940	1.3
161.04544	17.3
179.05606	40.4
185.95509	1.3
203.10748	1.1
211.06273	3.0
221.06630	22.9
221.11957	1.1
222.07047	1.2
233.93597	1.1
263.07611	6.1
267.10010	1.6
285.04007	16.6
286.04407	1.9
299.11319	22.3
300.11304	4.3
444.95535	1.2
461.16687	45.5
462.16708	6.7
483.20920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38330	1.0
56.98604	1.0
57.03447	3.1
59.01092	2.0
59.01380	30.6
61.04768	0.9
61.65339	1.1
61.65650	1.0
61.98836	6.9
70.59161	1.1
71.01387	12.2
71.05035	2.3
71.60800	1.1
72.99306	10.3
73.02940	14.7
74.02476	1.8
75.00861	8.3
76.83895	1.1
78.95908	0.9
85.02947	4.4
88.04047	2.8
89.02447	3.9
95.05007	2.5
98.42651	1.0
99.00884	2.5
99.04520	7.6
101.02441	6.4
109.06601	8.1
113.02466	6.0
113.06028	1.0
116.85326	0.9
119.03470	0.9
120.01243	1.6
120.54794	0.9
121.06576	1.2
123.04537	1.9
123.08167	2.5
125.06132	1.7
134.03783	1.6
137.09724	100.0
138.10042	5.4
139.07599	1.2
141.47560	1.0
147.08141	3.4
149.06053	2.9
149.09720	1.9
151.07675	2.3
151.11273	1.2
153.09177	1.7
157.10249	1.3
161.04532	6.7
161.09698	2.7
164.08382	1.8
165.09180	8.3
167.10805	2.0
170.07356	3.7
177.12762	1.3
179.10782	25.6
180.11124	2.1
181.08701	20.1
187.10921	1.0
188.08458	1.2
197.82401	1.2
200.14085	1.0
202.38805	1.0
203.10782	14.4
221.11821	38.5
222.12245	3.2
239.10623	2.1
239.12866	16.8
240.13091	1.5
246.61133	1.3
293.16953	1.2
396.99725	1.1
401.17996	6.2
462.23755	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	461.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01381	4.9
61.64066	0.2
61.98841	1.3
63.02408	0.3
65.00329	0.2
67.11483	0.2
68.99819	0.2
70.99608	0.4
71.01391	4.5
72.37682	0.2
72.98927	0.2
72.99307	1.0
73.01160	0.5
73.02942	0.5
75.00871	2.5
79.71395	0.2
83.01392	0.6
85.02956	9.5
87.00907	1.2
89.02436	1.6
91.01891	0.2
93.03442	1.4
95.01398	2.7
99.00895	2.5
101.02441	0.3
103.00366	1.4
104.98379	0.4
106.97960	0.6
107.01397	0.9
109.02951	0.7
111.00911	0.3
113.02455	16.2
114.02789	0.6
115.00374	0.7
117.01908	1.3
117.03455	0.4
119.03488	0.2
129.01923	0.7
133.02974	0.5
135.00911	0.3
137.02415	0.5
143.05011	0.6
145.02930	0.3
151.00365	0.8
154.04237	0.5
155.05125	0.4
157.06528	0.4
159.04515	0.8
161.02499	0.4
163.00359	0.5
167.04979	0.4
169.06538	0.9
171.04500	0.7
171.07716	0.4
173.02414	0.6
175.02473	4.1
176.02921	0.3
185.06047	1.8
187.03987	1.0
199.03925	0.4
202.01158	0.2
211.04024	0.5
213.05476	0.7
214.02641	0.9
215.03419	0.4
227.03549	0.5
229.05006	1.3
239.03476	1.1
243.02969	0.5
255.03030	0.5
256.03503	0.2
257.04608	0.5
268.03940	0.3
270.01709	0.3
285.04050	100.0
286.04379	9.1
461.07278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
53.12039	0.6
59.01382	4.9
61.98835	19.7
65.00317	1.5
71.01371	1.9
71.62167	1.2
73.01162	0.6
84.58112	0.6
84.83117	0.5
85.02953	1.4
87.00872	1.3
88.98796	1.6
89.02451	2.7
91.01884	0.7
113.02434	1.0
117.03457	9.8
122.83268	0.5
135.00874	4.4
136.98808	1.3
137.02409	0.8
159.04503	1.3
163.00360	11.9
164.00735	0.8
164.98259	3.4
178.99828	1.9
183.04504	3.4
185.02432	1.4
211.03983	2.2
227.03502	5.4
239.03354	0.9
255.02986	21.1
256.03375	2.1
269.04535	5.1
270.04596	0.6
282.05273	0.9
283.02475	90.7
284.03079	16.9
285.04034	14.1
286.04355	1.5
295.02408	1.8
297.04034	19.3
298.04773	7.8
299.05530	8.5
300.05914	0.7
311.05450	0.6
313.03513	1.0
352.90494	0.5
409.68784	0.6
446.08539	5.2
461.10910	100.0
462.11252	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	461.1303
Annotation	Sibiricose A3
Peak:m/z	Relative Intensity
52.60763	0.3
53.69156	0.3
59.01382	6.8
63.60869	0.3
64.10943	0.3
69.67352	1.8
71.01383	5.6
73.02928	1.6
78.52625	0.3
83.01380	0.6
85.02937	1.5
87.00871	0.7
89.02451	6.0
93.03461	33.5
94.03805	1.0
95.01407	0.5
98.19896	0.6
99.00841	0.3
101.02453	5.4
103.45592	0.3
105.30283	0.3
113.02433	3.2
119.03519	3.2
125.02447	1.3
131.03494	1.1
136.01692	1.7
137.02448	100.0
138.02769	3.8
138.05597	0.5
143.03502	1.0
151.04004	0.4
161.04544	1.0
179.03490	5.1
179.05658	2.1
180.03860	0.5
180.95474	0.3
214.96423	0.3
221.06665	1.7
240.43675	0.3
299.07913	0.3
299.11392	0.7
322.67560	0.3
323.09763	1.6
388.54797	0.3
461.12949	4.0
462.13620	0.6
462.20398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
57.03444	2.8
58.00591	6.4
59.01382	100.0
59.15267	1.7
66.29035	1.6
69.08537	1.6
71.01385	89.2
71.30471	2.0
71.30810	1.6
72.99290	4.3
73.02946	10.1
76.73506	1.6
77.41603	1.4
83.01384	6.6
83.35680	1.5
84.07530	1.5
85.02953	26.8
87.00878	7.8
89.02444	78.7
89.02998	3.8
95.01396	4.2
99.00864	3.9
101.02448	58.5
106.59542	1.4
110.11687	1.5
113.02453	38.3
119.03510	30.0
119.05017	27.8
125.02425	1.8
131.03529	13.1
137.06097	11.5
138.05634	4.4
143.03465	7.2
149.04517	2.5
159.02959	3.0
161.04579	22.4
165.91634	2.1
179.05620	38.0
179.07176	3.1
196.54904	1.6
221.04482	2.6
221.06660	44.8
263.07681	10.4
299.11349	47.0
300.11508	5.1
312.27423	1.8
461.16583	82.9
462.16788	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	459.9871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72538	3.2
57.03788	3.0
59.01384	24.2
61.88938	3.0
61.98518	6.6
61.98830	100.0
70.46155	8.7
70.46510	5.5
72.82513	3.4
75.00867	3.7
94.99277	3.3
99.00889	3.8
104.98376	9.2
112.98804	6.0
135.84460	3.4
173.00894	13.3
174.01326	6.7
210.36186	3.1
238.57111	3.1
240.44109	3.5
247.02106	3.1
279.62897	3.5
329.21719	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02286	1.2
57.03463	1.3
59.01382	100.0
61.98833	5.4
69.44709	9.4
71.01382	17.1
71.03408	1.0
72.99331	1.1
73.01172	2.3
73.02942	3.4
75.00884	1.2
80.96484	1.2
83.01451	1.2
83.04993	1.3
85.02953	4.1
87.00878	2.0
87.95077	1.1
89.00666	1.4
89.02450	22.7
95.01406	1.2
101.02476	8.4
102.77521	1.3
113.02451	9.5
116.92848	3.5
119.03496	7.9
119.31935	1.1
143.03485	1.2
149.04564	1.4
152.05208	1.1
161.04549	2.5
171.10286	1.8
174.01645	2.2
179.05600	2.6
226.95482	1.2
237.15022	1.4
327.21640	3.2
399.20193	4.6
442.16348	1.3
459.26816	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	459.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01380	7.0
61.98517	2.1
61.98833	31.2
67.16079	0.9
69.03468	1.7
71.01385	4.1
71.31483	0.9
72.72179	1.0
73.02963	1.4
73.04076	1.3
73.40485	0.9
74.02489	4.0
79.40974	1.0
81.45943	0.9
84.04553	3.9
85.02967	2.7
85.66785	0.9
88.04058	3.3
95.02527	0.9
96.00905	2.2
101.02447	2.5
102.05618	24.8
113.03580	1.0
115.00405	4.0
115.08776	7.8
116.07184	13.8
116.92847	7.0
125.07246	1.2
126.05605	1.2
128.03546	100.0
129.03902	2.8
129.10347	32.8
130.08736	2.6
132.03044	2.5
135.00854	1.2
137.07201	1.7
139.08714	1.7
141.06725	2.2
141.10359	3.8
143.11916	3.0
145.06323	0.9
146.04601	23.7
149.06088	1.6
153.01962	2.0
154.09842	2.2
155.08264	2.6
157.13522	6.2
166.08713	1.7
167.10637	1.0
167.11980	1.2
169.09866	5.0
173.09320	1.8
183.11400	2.5
186.12445	2.0
187.10884	7.6
198.81583	1.1
201.12373	6.9
202.12677	1.2
210.07637	1.0
211.14508	1.2
214.15640	2.7
215.14012	1.0
224.17691	8.2
227.10245	1.1
241.12170	1.2
242.18813	5.5
267.18219	5.0
273.79254	1.0
275.51318	1.1
286.17764	27.2
287.17902	2.4
297.06119	1.1
297.13379	1.2
304.51126	0.9
325.18915	1.5
330.20422	7.9
340.08115	0.9
344.17969	1.1
371.22885	5.4
404.58881	1.3
415.22034	31.9
416.22757	3.5
424.17386	1.6
441.24054	1.6
459.24750	75.4
460.24869	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	459.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31221	1.1
57.03448	36.9
59.01379	28.9
61.98814	1.8
69.56169	7.8
71.01380	43.2
72.99304	1.6
73.02938	4.1
73.04069	21.2
75.00851	1.2
85.02934	8.0
87.00883	1.7
88.04042	38.4
89.02448	16.9
95.01408	2.3
99.04513	27.8
101.02447	18.1
113.02444	17.7
114.05585	1.6
115.00369	32.6
116.00676	1.3
116.92851	2.7
119.03482	6.8
123.04484	1.3
125.02455	14.8
127.05150	1.3
128.03534	8.4
129.10336	15.4
130.08742	5.8
131.03516	3.2
132.03033	23.4
136.49092	1.1
139.08771	3.2
140.07175	1.7
141.10373	2.2
143.03468	1.6
145.02928	1.1
149.04533	1.9
151.08842	1.0
155.08189	1.2
157.13400	1.9
161.04564	9.6
163.03999	1.2
166.08649	1.8
167.05701	8.5
167.10612	2.4
169.09831	6.7
173.38159	1.2
179.05617	12.2
180.10291	1.2
185.11769	1.1
186.12460	3.0
187.02159	1.0
197.16563	1.6
199.18134	2.3
201.12425	2.6
207.15060	11.9
208.13445	1.6
221.06566	1.9
224.12862	1.4
224.17671	16.7
225.16054	1.9
225.18040	1.6
242.18735	11.9
256.20248	2.5
270.21915	1.8
281.19812	44.8
282.20221	4.0
299.20883	43.6
300.19202	3.5
323.10004	2.7
325.21967	1.2
343.23477	14.4
344.21826	20.3
345.22119	1.9
371.22879	9.9
415.21451	6.4
441.23694	2.7
442.23923	1.3
459.24615	100.0
460.25027	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	459.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76921	1.3
59.01381	15.5
61.98835	25.1
69.68703	7.2
69.69104	3.4
70.02975	4.1
71.01386	21.6
71.02505	16.4
72.99307	4.1
73.04070	11.9
74.02474	2.1
81.02197	3.1
82.02984	3.7
82.06624	2.9
85.02948	2.2
89.02478	1.9
96.00919	13.7
98.02475	21.5
98.19872	1.6
99.92602	1.5
101.02464	2.0
101.07258	1.5
109.01712	8.1
110.02527	3.9
113.02445	1.6
113.03593	2.1
114.01982	5.3
115.00384	4.2
116.92885	8.3
117.06712	11.1
122.09808	1.9
127.05154	6.1
128.03549	3.0
129.10350	2.3
130.08746	78.2
131.09108	3.0
136.05200	1.7
138.09244	20.8
139.08780	4.6
140.07210	4.1
151.00375	2.3
151.08746	2.1
152.07222	1.3
161.20074	1.4
165.10341	2.1
166.02708	12.6
166.08720	25.3
168.09001	3.0
168.10272	3.0
169.09825	2.9
180.04202	1.9
180.10291	8.4
181.05061	25.3
182.05447	1.5
186.12691	1.9
197.16566	1.8
199.18158	6.1
204.09062	2.9
209.09358	3.1
210.07742	4.2
223.14502	2.1
225.16109	8.5
233.16620	5.0
235.18124	8.8
243.17053	7.2
261.16019	8.1
279.17093	6.7
281.19836	4.1
299.20831	4.5
306.07938	1.5
323.16110	100.0
324.16409	11.1
328.15302	2.2
329.21997	4.5
341.17172	4.2
380.18298	18.0
381.18619	2.5
386.21799	1.5
397.20938	13.4
398.21478	1.6
403.92035	1.6
411.22598	4.1
424.20911	6.0
424.80466	1.5
441.23535	63.7
442.23743	8.1
459.24585	42.7
460.25095	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	459.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
58.00587	0.8
59.01379	100.0
60.01712	1.3
61.98829	11.2
63.94446	1.2
64.95251	1.0
70.99605	1.1
71.01382	51.3
71.09972	2.0
72.01705	1.2
73.01165	3.6
73.02936	3.8
78.96844	2.0
83.01388	2.9
85.02945	3.7
87.00896	1.9
89.00655	2.1
89.02425	4.7
99.00873	2.1
101.02449	8.5
104.98355	1.0
112.98771	1.6
113.02448	4.0
115.00449	1.1
116.92851	2.7
119.03476	1.0
128.03532	4.1
129.03833	1.6
143.04584	3.0
145.02988	1.2
151.71680	0.9
161.00949	1.0
161.04524	2.7
172.72185	0.8
173.00885	3.0
174.01814	1.0
175.02344	1.8
188.50523	0.8
191.03558	1.1
195.34251	0.8
205.12308	3.2
223.13373	5.2
241.14450	6.9
247.02744	0.9
270.52179	0.8
272.08911	1.6
273.09088	1.2
285.04019	0.9
286.73517	0.8
295.15494	2.4
305.06250	0.9
306.07690	1.1
307.07922	1.7
326.40695	0.8
343.85306	0.9
344.06473	0.9
367.17526	1.7
385.18582	9.1
386.19199	1.5
415.96091	0.9
417.20978	0.8
427.19644	1.5
429.71448	0.9
459.09698	0.9
459.22174	4.2
460.22809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03434	2.1
58.00583	2.1
59.01381	100.0
61.26815	0.9
61.98822	3.8
64.90524	1.1
64.95237	2.7
69.03444	1.9
70.99633	1.3
71.01382	43.6
71.50914	1.4
71.51247	1.4
72.99321	2.6
73.01156	7.3
73.02952	48.2
75.00854	2.4
83.01389	14.1
85.02946	4.4
89.02460	7.8
89.40174	1.3
94.96241	1.2
95.01418	1.6
99.04526	1.6
101.02443	43.2
104.98363	1.6
113.02456	11.7
116.92864	2.1
116.95613	1.0
119.03477	2.5
125.02464	2.3
125.88477	1.0
131.03488	3.1
139.11230	1.2
143.03500	2.7
149.04558	3.0
152.05377	3.4
155.03511	2.0
161.04555	7.5
174.01674	2.6
175.02354	1.6
193.16006	1.9
198.59644	1.2
210.04385	1.2
237.14969	10.5
355.82697	1.1
382.17496	1.2
397.39700	1.2
459.21866	1.8
459.27432	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	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
58.00597	1.5
59.01383	82.6
61.98834	7.4
64.95219	1.5
71.01384	12.1
71.04993	1.4
71.61819	1.7
73.02945	6.3
75.00876	2.2
79.57680	1.3
80.96512	2.6
81.95258	1.2
85.02952	6.6
89.00687	1.4
89.01910	1.2
89.02415	7.2
101.02454	9.8
113.02435	11.7
116.92862	4.0
119.03493	4.3
125.09729	3.5
137.09726	2.0
149.74329	1.5
161.04578	2.7
165.12837	4.4
171.10249	2.2
174.01666	2.9
179.14465	2.1
193.16058	2.0
195.13919	6.8
195.56862	1.6
200.94852	1.3
205.12375	6.8
221.00697	1.4
223.13394	66.4
224.13712	5.9
235.08337	1.4
237.14948	100.0
238.15366	7.3
253.09305	9.6
261.14954	1.9
278.27139	1.2
279.15869	3.8
327.21838	7.0
350.69180	1.6
428.05188	1.6
459.26859	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	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18953	0.9
59.01390	5.4
66.83422	0.9
68.39459	0.9
71.01369	3.0
71.59154	1.2
72.85992	1.0
73.02951	43.6
74.02445	1.3
89.02443	4.3
99.00873	6.0
101.02445	2.4
113.02478	1.1
116.92896	5.9
117.01944	100.0
118.02276	2.4
118.05090	2.5
128.03497	1.0
132.53943	1.0
138.85942	1.0
174.02138	1.0
179.05602	1.8
214.47890	0.9
341.11121	4.4
345.34555	1.0
356.17886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67299	1.3
55.01881	1.4
57.03452	91.4
59.01382	60.1
61.98820	3.9
68.15395	1.1
69.88425	6.7
71.01387	59.6
71.02472	1.6
72.99297	1.8
73.02952	8.8
73.04074	16.8
75.00861	1.8
81.03458	2.6
83.01390	3.1
85.02948	14.7
87.00867	3.3
88.04042	31.3
89.02448	32.9
95.01376	4.5
99.04522	68.3
100.04897	1.5
101.02445	44.6
102.02836	1.4
105.00159	4.4
113.02452	42.1
114.02844	1.3
114.05621	3.3
115.00382	29.4
116.92862	5.7
119.03510	18.7
123.04496	3.0
125.02445	33.9
127.05182	3.1
128.03545	13.6
129.10339	15.6
130.08768	8.3
131.03465	4.5
131.09059	1.4
132.03024	19.4
133.03317	1.5
139.08737	4.3
139.74527	1.4
140.07236	1.3
141.05540	1.9
143.03482	7.1
145.02892	2.5
145.06223	1.7
149.04520	8.2
153.05629	2.4
155.08263	1.6
157.13460	1.7
161.04565	23.8
162.13914	1.5
167.05734	5.4
167.10602	2.2
169.09850	6.0
179.05618	26.9
186.12489	3.5
199.18181	2.9
201.12387	4.0
203.05634	1.4
207.15010	10.8
207.42775	1.5
221.06650	5.7
224.12769	1.7
224.17680	16.5
225.16121	1.8
227.03482	1.4
242.18684	14.8
245.11366	1.5
245.34311	1.3
252.07849	1.4
256.03445	1.4
256.20258	2.6
263.07693	1.9
270.21976	2.8
281.19803	34.2
282.20026	2.4
285.04037	1.4
299.20877	39.6
300.18985	2.9
323.09814	4.6
324.17136	1.3
343.23535	11.6
344.21765	18.4
345.22345	2.3
371.23032	10.6
386.88562	1.5
415.21216	7.5
424.17090	1.7
441.23615	1.8
458.61469	2.7
459.24619	100.0
460.25299	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	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.8
58.00589	0.9
59.01381	100.0
60.01700	1.3
61.98835	6.7
63.86497	0.9
66.04536	1.0
67.37072	1.0
69.03452	1.8
69.75587	5.3
71.00992	1.9
71.01382	36.9
71.05023	1.3
72.01726	1.0
72.99313	1.7
73.01205	1.2
73.02533	1.8
73.02948	37.4
75.00832	1.1
79.95748	0.9
83.01393	13.7
83.05003	2.4
85.02956	5.5
85.06601	1.2
87.00877	2.1
87.04523	2.3
89.02451	9.2
95.01401	1.0
96.92463	14.9
99.00877	1.4
101.02449	29.2
106.36089	0.9
113.02467	7.2
115.04015	64.5
116.04334	1.4
116.92834	2.8
119.03490	3.2
121.10230	14.5
129.05618	2.0
131.03493	2.5
137.09726	1.4
143.03505	2.4
143.04663	0.8
147.11781	1.7
149.04568	2.2
149.06020	2.4
151.97949	0.9
161.04507	7.1
165.12903	1.0
174.01704	1.2
175.02551	1.3
175.14948	15.0
185.65318	1.0
219.13902	46.6
220.14217	4.0
237.14943	54.2
238.15277	4.1
255.15994	3.0
349.87988	1.1
373.50024	1.0
399.20230	6.4
417.21219	16.3
418.21533	1.8
459.22327	38.9
460.22626	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	458.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02512	0.3
57.03453	0.3
59.01377	0.6
61.98835	100.0
68.19128	0.3
69.30402	0.5
69.30807	1.8
71.01391	0.6
73.02969	0.4
73.04072	0.5
74.02468	0.4
82.03032	0.4
88.04097	0.4
88.88046	0.3
96.00934	0.5
102.05675	0.4
113.02461	0.5
113.88402	0.3
114.01967	0.4
115.00406	0.4
115.08801	0.3
116.92849	1.5
127.05134	0.5
128.03552	2.6
129.10382	0.5
130.08757	0.5
132.03030	0.3
134.03748	0.4
135.04565	0.7
145.03119	0.3
146.04587	0.3
151.08769	0.3
155.08363	0.4
172.10820	0.3
175.02492	0.4
194.45662	0.3
197.13005	0.3
197.64526	0.3
297.10019	0.3
342.21744	0.4
458.23041	1.3
459.21298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.1
61.98832	100.0
71.01386	2.1
71.02530	0.7
71.61039	0.8
73.02943	0.8
73.04077	0.6
73.55095	0.5
89.02396	0.6
94.42560	0.5
96.00938	1.0
98.02503	1.2
101.02455	0.9
107.90258	0.5
109.01674	0.6
116.92870	1.3
117.03466	1.5
119.03528	0.7
128.03499	0.6
130.08733	5.7
138.09293	1.1
145.02991	3.1
163.04089	0.6
166.08781	1.3
175.37888	0.5
217.12088	0.7
225.16122	0.7
227.03561	1.0
238.08871	0.5
255.03041	2.0
284.03317	2.0
317.67822	0.7
323.16089	5.0
398.20316	0.9
441.23434	3.8
458.11475	1.5
458.26544	1.5
458.61826	0.7
459.24368	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	458.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90589	0.4
55.74852	0.5
57.03449	0.7
59.01380	18.5
59.83980	0.5
61.98829	100.0
69.42992	4.4
69.72076	0.5
71.01388	7.3
72.99317	2.7
73.02951	2.3
74.02504	0.5
79.62328	0.5
83.01405	0.7
85.02962	1.3
89.02465	1.6
93.03490	0.5
96.00948	0.7
98.19947	1.4
99.00894	0.5
101.02448	2.2
113.02467	1.6
113.03607	0.7
116.92836	1.6
117.03466	13.0
117.04259	0.9
118.03809	1.1
119.03570	0.6
119.05026	6.9
121.02972	1.6
122.48087	0.5
125.02493	0.7
127.05137	1.5
130.08742	1.5
134.03723	0.6
139.07623	1.0
141.42137	0.5
145.02951	39.0
146.03317	2.6
151.00410	1.0
161.04601	1.2
162.03300	0.6
163.04021	8.1
164.04407	0.5
166.02670	1.1
166.08879	0.5
181.05020	1.7
183.04523	1.0
186.12482	1.2
193.12242	0.6
211.04012	0.9
218.16705	0.6
221.06642	0.6
227.03482	14.3
228.03896	1.2
234.94553	0.6
239.03471	0.8
255.02991	23.9
255.05698	1.3
256.03415	3.7
257.04358	0.8
269.52075	0.5
283.02536	0.9
284.03253	24.0
285.03879	7.9
286.04343	0.9
326.17175	0.7
414.23477	1.0
453.13913	3.5
454.14227	1.3
458.11423	25.5
458.26398	2.0
458.61618	13.1
459.11752	2.7
459.18384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34610	4.1
59.01381	100.0
60.30405	3.9
60.41090	3.4
61.98842	22.5
63.51067	3.5
64.95236	16.1
70.15456	8.7
70.15853	6.9
75.50083	3.5
78.29266	3.9
78.95934	5.4
78.96817	26.1
92.20098	3.3
96.62373	3.2
97.67174	3.1
98.19933	4.5
99.00863	7.3
104.98388	47.2
110.94017	15.9
112.98792	12.3
121.02943	5.9
129.00104	6.3
173.00867	29.2
174.01665	9.0
176.28464	3.7
226.19781	3.7
247.02759	10.7
279.00037	8.2
291.19702	7.1
295.05994	5.3
459.27805	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98815	1.5
63.96245	1.0
70.99609	9.6
71.01395	0.9
71.60720	1.2
73.02943	39.7
76.97048	1.0
78.95885	1.3
86.99054	0.9
87.00884	2.2
89.00670	51.6
89.02441	2.2
99.00900	5.6
101.02449	0.9
109.02943	1.5
114.97622	0.7
116.92851	6.6
117.01939	100.0
118.02274	2.8
127.05133	0.7
128.03587	2.8
130.08774	1.7
133.01579	1.2
135.98360	2.5
150.04185	5.4
159.01169	1.5
172.97656	0.9
177.02267	44.5
182.99893	0.7
231.34941	1.0
239.37846	0.9
282.08459	2.9
288.72076	0.7
400.88800	0.8
445.81100	0.8
459.21091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85419	0.5
57.03458	1.0
57.11091	0.7
59.01381	100.0
60.01727	1.6
61.98838	3.6
63.54879	0.6
69.49056	0.9
69.49460	3.9
71.01380	10.2
72.99335	0.8
73.02953	5.9
73.97804	0.6
79.95754	1.1
82.78893	0.6
83.01401	2.4
83.05064	0.6
85.02965	2.6
87.00875	1.4
89.02450	5.7
90.87773	0.5
95.01408	0.6
96.95995	0.6
97.02980	1.2
99.00899	2.5
101.02442	8.3
102.02129	0.6
107.61710	0.6
111.00925	0.7
111.49513	0.5
113.02462	3.5
115.04044	0.6
119.03525	2.1
120.89215	0.6
124.19809	0.6
128.03540	1.0
137.02423	0.6
140.43037	0.6
143.03583	0.8
157.34488	0.6
159.02946	0.7
161.04587	1.1
174.01736	1.3
179.05650	0.8
181.21805	0.6
186.12589	0.6
216.31912	0.6
221.11888	2.3
221.96713	0.6
235.13333	0.9
326.99557	0.5
397.18631	0.7
415.19763	4.0
438.21042	0.6
457.20541	2.7
458.21524	0.8
458.27548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	46.4
61.98845	69.5
67.31185	12.6
69.64968	89.8
71.01390	67.1
83.96432	14.0
89.02459	75.0
98.20667	25.1
101.02419	11.9
104.92790	27.8
109.54408	12.6
113.02450	14.6
179.05609	18.5
194.08224	13.4
204.46512	12.5
236.10165	12.9
277.21628	100.0
330.96036	14.5
382.82275	15.3
420.03012	15.5
457.35922	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	10.2
63.94455	6.2
69.36723	13.1
69.37114	2.0
70.03009	2.0
74.02473	26.1
78.96820	13.6
82.03012	2.9
86.02489	10.4
87.05638	6.2
94.11562	1.6
94.97450	1.5
97.04068	3.3
97.54269	1.5
98.19892	2.8
98.65753	1.5
99.05019	2.1
99.05647	22.5
100.00395	2.1
101.07194	2.1
102.05583	3.5
104.98376	10.2
109.04082	3.4
109.87946	1.4
110.49715	1.4
111.05664	1.9
123.05634	2.8
124.04005	2.6
127.05136	3.9
128.03543	79.8
129.03841	3.0
135.05627	4.7
137.07184	1.7
141.06688	5.3
143.04631	96.7
144.04953	2.4
145.06184	3.1
146.04597	8.6
153.06671	5.7
160.00737	19.0
166.09848	3.8
167.04588	4.9
167.08286	3.1
171.07695	2.9
177.03407	4.8
179.04607	21.2
181.06158	4.2
185.05710	2.6
192.07845	2.1
197.05641	2.6
203.01308	1.8
210.08870	18.8
215.04895	1.9
228.09840	2.2
242.07616	1.9
249.05641	3.7
254.07854	28.4
272.08893	76.3
273.09232	4.6
288.06644	9.6
304.05945	2.4
306.07663	100.0
307.07910	6.7
360.07516	2.1
378.07935	23.6
379.07990	3.3
458.05429	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	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
61.98832	100.0
62.57604	0.4
71.01402	1.0
71.60380	0.4
72.99317	0.4
74.02492	0.6
78.95919	0.5
85.02948	0.4
89.02478	1.1
91.62003	0.4
96.96030	1.3
101.02466	1.1
109.06583	0.7
112.28408	0.4
113.02471	0.6
114.05595	1.0
115.00397	0.5
115.08768	0.5
127.05140	0.5
128.03554	1.9
134.03720	0.4
143.67366	0.5
179.03543	0.6
193.05080	0.6
215.40517	0.4
227.89964	0.4
240.70654	0.4
296.88284	0.4
323.24646	0.6
341.25812	0.6
435.39865	0.5
456.28696	0.7
457.26819	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	456.2391
Annotation	Guan-fu base F
Peak:m/z	Relative Intensity
57.03430	0.8
57.45437	0.5
59.01375	1.9
61.98817	2.8
67.35053	0.5
68.99818	19.2
70.81835	1.2
70.99598	0.9
71.01364	1.5
73.01177	5.8
77.93594	0.5
79.93982	0.8
79.95734	0.8
83.00132	2.4
83.05042	0.7
94.03024	0.8
94.96308	0.5
96.00971	0.6
96.99305	10.2
99.00886	3.6
104.98386	4.0
106.06606	0.6
109.01701	11.5
110.02487	0.7
112.98788	0.8
113.01186	2.5
114.01982	0.8
121.05365	0.6
122.06108	1.6
123.49159	0.6
124.00388	1.7
128.03568	0.9
134.06142	1.1
136.04019	1.2
137.01086	0.8
137.09673	0.7
139.02702	0.8
140.03543	1.4
142.99887	0.8
149.04823	0.8
150.05638	0.6
152.05391	2.0
158.06091	0.8
173.00851	1.0
173.03284	2.0
174.01645	1.4
177.04297	0.7
184.02501	1.0
190.05093	2.9
228.06639	1.8
230.08420	0.6
250.07190	8.5
283.20822	0.8
288.08792	1.0
316.11713	0.6
326.02417	0.7
368.22275	1.9
380.18515	0.9
381.19547	1.0
396.21777	13.8
397.22180	2.2
404.68396	0.6
456.23901	100.0
457.24228	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	457.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	65.6
61.98810	14.6
68.97713	4.5
70.43441	18.2
71.01398	7.7
83.01372	7.9
83.73727	5.2
85.02985	5.8
99.00870	18.0
101.67914	4.9
102.96828	54.6
103.97607	27.6
112.98813	55.0
115.00349	5.2
127.94287	4.9
133.93213	5.5
142.99854	31.3
144.92253	5.4
148.95584	5.8
173.00920	100.0
174.01529	10.4
216.18797	5.8
245.01273	16.4
247.02789	11.4
290.00153	5.2
329.34152	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	457.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98836	54.3
63.59818	5.4
63.94445	5.3
64.41045	6.0
70.99599	16.6
71.01373	12.4
71.61230	5.6
73.01180	6.3
76.31744	5.3
78.96827	8.0
85.02961	7.4
86.40782	5.6
99.00886	11.3
99.16743	6.0
102.96825	37.6
103.97628	30.5
104.98369	11.2
112.98808	42.2
121.03046	6.8
134.94029	24.0
135.95691	12.4
136.95560	7.3
142.99884	27.6
150.97198	8.7
159.86044	6.4
162.83939	6.8
173.00935	81.9
174.01654	17.2
174.53674	5.8
177.67351	5.6
180.94142	75.5
182.94356	10.4
195.92764	6.2
217.01761	6.8
220.14557	6.5
221.15575	8.4
236.10579	14.4
245.01237	14.4
247.02765	13.1
293.17822	10.1
294.21625	10.8
295.22592	7.0
310.02817	9.8
337.05017	5.8
402.18198	6.0
447.78049	6.6
457.11368	7.0
457.27914	5.7
459.85846	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	455.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
58.03782	1.8
59.01380	96.4
60.01716	1.0
61.98830	1.3
69.55822	1.0
69.56217	4.4
71.01385	3.1
81.03463	2.9
83.01398	1.0
85.02941	1.7
86.69288	0.5
87.00884	0.7
98.20590	1.1
99.04522	93.6
100.04849	2.0
101.02444	16.2
113.02446	0.6
125.02446	35.0
126.02796	1.0
143.03496	1.7
161.04507	1.1
164.65681	0.6
167.22180	0.6
269.10226	1.8
311.11203	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	456.064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56352	0.3
55.69331	0.3
57.03426	0.7
59.01379	7.0
61.98832	100.0
70.44030	0.7
70.44374	0.6
71.01393	0.8
73.01186	0.3
85.02931	0.5
87.00883	0.6
87.05627	0.4
89.02438	0.4
92.47788	0.3
99.04537	0.6
101.02483	0.8
107.05010	0.3
108.05360	0.3
112.98845	0.6
113.02430	0.5
125.02461	0.4
129.06714	0.7
130.08765	1.4
142.99899	0.4
158.21996	0.3
173.00920	1.3
174.01675	0.7
276.16989	0.3
287.62173	0.3
413.24158	1.2
455.32385	0.6
457.27081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.0
61.98833	100.0
62.22403	0.7
64.86229	0.8
70.34579	3.0
71.01386	12.0
73.02953	1.6
80.21532	0.8
83.01379	1.3
85.02933	3.7
85.06566	0.9
87.00880	1.4
88.98798	0.7
89.02441	12.2
98.03880	0.7
101.02448	10.5
111.00907	0.9
113.02438	5.3
119.03493	3.4
128.03529	1.1
131.03465	0.9
131.07195	1.4
140.55322	0.7
148.06284	2.0
161.04579	2.0
174.01697	2.1
179.05611	1.8
193.08748	2.1
221.06682	0.8
304.05914	0.8
309.09634	1.1
361.14999	2.4
373.15146	4.4
391.16135	37.2
392.16290	3.5
455.16864	3.4
455.21539	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	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91355	0.4
54.92214	0.4
59.01386	1.9
61.98832	100.0
62.98536	0.5
67.54069	0.4
70.18237	1.0
70.18631	0.9
70.69400	0.4
71.01358	0.4
89.02451	1.1
101.02461	0.5
113.43501	0.4
277.46710	0.4
297.84421	0.5
335.02325	0.4
339.35873	0.4
429.22266	0.4
455.12222	0.4
455.26538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41727	0.5
59.01389	0.9
61.74306	0.5
61.98830	100.0
68.93818	0.4
69.55282	2.4
71.01388	0.5
82.80698	0.4
87.89308	0.4
108.03549	0.5
124.68364	0.5
152.05429	1.1
164.07169	0.5
345.85556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	50.3
60.17890	5.2
61.98851	8.1
71.60915	5.2
71.61694	4.7
73.01172	6.9
74.23230	4.2
75.02738	16.2
80.39012	4.2
92.00542	4.1
104.98388	100.0
145.75627	4.5
157.30544	3.9
181.01880	25.2
187.57185	4.5
221.76260	4.2
405.50162	5.0
440.15500	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	455.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47103	5.2
58.78646	5.4
59.01385	100.0
61.98831	15.4
64.95244	7.6
68.99820	7.8
69.49995	34.1
73.01178	10.0
75.02710	13.7
98.19803	4.6
101.00679	5.2
104.98395	53.8
106.99968	13.3
112.98830	15.0
115.41475	4.8
142.99867	8.6
173.00949	30.6
217.01797	33.9
247.02858	5.0
455.35391	8.6
456.23819	17.8
456.73080	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	455.0974
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.47345	0.2
59.01378	0.8
61.98829	0.9
69.67657	0.5
69.68066	1.0
71.01374	0.6
74.49271	0.2
78.95906	82.4
83.56541	0.3
96.96967	100.0
101.02396	0.5
102.89651	0.2
115.92075	0.3
116.92841	0.4
128.03569	0.5
138.98033	3.7
145.01636	0.2
163.39226	0.2
168.36992	0.2
169.07655	0.4
177.01933	3.4
180.99080	0.3
184.08806	0.8
198.06728	1.6
199.00125	10.7
212.08311	4.6
213.01695	10.1
214.02151	0.5
241.07303	4.1
243.08948	0.3
255.08868	5.3
256.09174	0.3
311.23196	0.3
339.07251	0.9
394.62384	0.3
455.09720	22.8
456.09857	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	453.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96547	1.5
55.01864	6.5
57.03449	4.1
58.00572	1.8
58.02971	2.7
58.64496	1.3
59.01384	67.9
60.01736	1.4
61.98834	30.9
63.96220	2.2
64.95251	12.8
70.99620	2.2
71.01385	78.2
72.99306	3.9
73.01167	12.1
73.02950	31.6
74.02466	6.3
75.00853	1.5
79.93966	2.0
79.95737	41.6
80.96525	10.9
81.03424	1.8
83.01397	17.7
85.02956	37.3
87.00843	3.3
89.00666	5.9
89.02448	20.7
95.01382	5.8
96.96049	2.5
97.02936	3.0
99.00892	13.8
99.04531	3.0
99.05626	4.8
101.00671	40.5
101.02448	73.8
104.98370	7.4
111.00869	2.0
112.93697	4.4
112.98813	13.8
113.02446	32.8
114.03835	4.5
114.05552	1.7
117.64773	1.6
119.03494	7.7
125.02440	5.2
128.03529	3.9
129.01959	1.7
129.10219	1.6
131.04572	1.5
134.99419	1.5
136.95590	2.0
137.00974	1.6
142.99898	8.8
143.03500	4.9
143.04611	15.5
143.90143	12.1
144.90938	13.5
147.04926	2.3
159.03006	7.9
161.04578	34.2
164.07101	1.7
168.98132	2.0
173.00920	21.8
174.01703	100.0
175.02026	5.3
177.03403	43.0
179.05609	3.5
184.94063	3.9
199.07074	1.7
200.95241	1.6
231.13916	1.9
245.01210	3.1
247.02696	2.2
279.00061	26.4
280.00378	1.7
291.18134	38.6
292.18387	2.1
294.95749	1.4
307.07922	2.1
452.99591	20.1
453.23453	39.3
453.99692	2.2
454.07416	2.2
454.23416	6.1
461.07602	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59943	0.4
61.89629	0.4
62.96425	0.5
64.02538	0.3
67.53242	0.3
71.60423	0.3
78.95905	100.0
80.08099	0.4
89.02429	0.6
91.56924	0.3
95.93446	0.4
108.90144	0.6
110.89915	10.6
110.95830	3.1
110.98533	92.8
111.98883	0.4
130.98085	0.3
148.69357	0.3
155.44514	0.4
292.57547	0.4
341.11032	0.8
453.10468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89686	0.5
61.57979	0.5
70.77969	0.9
71.01386	0.8
78.21243	0.5
78.95905	100.0
95.93460	4.5
108.90211	1.4
110.89308	0.4
110.89921	42.0
110.95813	41.8
110.98531	97.2
135.42369	0.5
281.10089	0.7
301.69434	0.6
322.06546	0.6
453.10516	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	453.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08872	1.4
69.69823	9.4
71.01385	9.6
74.53786	1.4
79.95721	1.4
86.26183	1.8
99.92591	31.7
100.93366	2.8
111.08094	1.6
115.07626	1.9
115.92083	100.0
116.92108	6.2
116.92860	60.6
117.92862	3.5
157.73631	1.5
162.57204	1.6
163.11385	2.3
165.54074	1.5
172.95479	35.1
173.95639	3.4
255.23169	3.1
279.23331	2.3
404.99933	1.8
445.68793	1.5
453.19482	4.7
453.29861	1.9
458.46411	1.7
459.57263	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	454.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	1.4
59.01385	4.6
60.52225	1.0
60.97520	1.1
61.98823	6.6
63.94470	1.9
63.96242	5.6
64.95248	4.4
69.58070	6.6
70.99612	14.5
71.01385	1.2
73.01174	100.0
74.01498	2.5
74.02472	1.8
75.00861	1.7
76.97034	1.6
78.95896	1.7
78.98592	3.0
79.93959	9.7
79.95744	3.3
89.00658	11.8
92.11608	1.0
94.96318	16.4
96.96988	1.8
99.05635	1.4
101.02409	0.9
102.96813	4.1
104.98385	48.6
120.97897	4.4
121.02943	1.4
127.02265	1.2
128.03532	5.3
136.95596	7.9
137.03041	8.7
143.04602	3.5
152.05402	77.9
153.05734	4.7
160.00633	1.1
161.00989	3.7
164.07173	1.9
184.02591	34.0
185.02925	1.5
210.08714	1.1
254.07948	1.3
260.08298	1.0
272.08856	1.7
276.12384	4.2
306.07648	4.6
307.07739	1.2
458.52148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	10.9
59.01371	2.2
64.95240	6.4
69.29854	13.2
69.30256	6.3
72.00891	2.3
74.02477	28.0
75.02740	5.5
81.04557	2.5
82.02995	2.8
86.02475	18.0
86.06118	3.6
87.05621	5.4
88.04044	3.1
89.98011	1.9
95.02534	2.1
97.04062	3.4
99.05637	23.4
101.07203	3.8
102.05596	3.0
104.98381	10.0
106.99915	5.2
109.04111	5.0
111.05653	3.2
112.04060	2.3
116.31344	2.4
123.05663	2.1
125.03547	3.2
127.05119	7.0
128.03543	81.3
130.83008	2.1
135.05615	5.7
136.13313	1.9
137.07120	3.5
141.06657	4.2
143.04620	100.0
144.04898	3.1
145.06203	5.2
146.04532	11.5
151.96147	2.3
153.06682	8.2
160.00735	12.2
164.07126	4.0
166.09760	3.9
167.04582	3.5
167.08231	4.9
171.07755	5.0
177.03423	3.5
179.04617	25.4
181.06201	4.8
185.05666	5.4
192.07768	2.9
197.05647	4.2
207.07336	2.0
210.08849	26.4
254.07767	39.4
255.08167	3.0
272.08862	79.6
273.09109	5.4
276.12497	4.7
288.06671	12.4
290.45456	2.2
290.53638	2.5
306.07660	51.1
307.07751	4.6
360.06982	3.2
378.07834	7.1
394.55750	2.2
439.73953	2.3
454.11465	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43358	0.3
61.98808	0.3
71.32406	0.3
71.32744	0.4
72.31918	0.3
76.51962	0.3
78.95905	5.9
79.75551	0.2
82.35307	0.2
85.66090	0.3
96.16805	0.2
107.89281	0.3
114.52785	0.2
118.03383	0.2
140.01184	1.7
149.23795	0.2
152.99580	0.7
171.00621	0.3
173.66483	0.3
196.03786	1.1
214.04842	2.3
229.15894	0.3
237.22314	0.3
255.23285	100.0
256.23630	8.9
273.16351	0.3
452.27814	8.7
453.28287	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	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79924	0.5
60.03189	0.5
70.13222	2.3
76.84323	0.5
78.80788	0.5
78.95901	17.8
81.43690	0.5
81.79039	0.5
117.79532	0.6
122.00118	0.9
140.01172	5.0
152.99580	1.5
159.83693	0.6
196.03781	9.2
214.04805	1.2
243.46585	0.5
243.49715	0.5
255.23277	100.0
256.23660	8.5
410.26285	0.6
413.80951	0.7
452.27789	23.2
453.28162	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	453.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
59.01379	100.0
61.98795	2.8
62.84034	2.1
64.95246	19.6
70.67376	7.1
71.01381	5.7
73.01170	36.8
79.95719	4.3
85.28887	2.4
87.29001	2.1
91.50268	2.5
98.20449	4.0
99.00860	6.2
104.98380	64.4
108.80133	2.3
112.98798	18.3
141.00174	4.4
142.99826	13.6
155.94452	2.2
163.13725	2.3
173.00888	43.5
174.01660	4.6
179.00165	3.8
245.01059	3.5
247.02791	5.3
370.30371	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	453.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65188	2.1
59.01379	100.0
60.01695	2.0
60.69543	1.9
61.98829	4.7
64.95251	37.5
71.09506	3.9
71.09845	2.9
73.01173	56.9
76.84056	1.9
77.89155	2.0
99.00916	2.5
104.98384	94.2
106.07544	1.9
112.98786	5.7
113.04320	4.0
113.05138	2.3
141.00146	6.1
142.99826	4.9
145.01413	3.5
173.00922	19.6
179.00311	5.3
187.70151	2.3
196.56467	2.2
245.01111	3.4
247.02853	3.0
333.71399	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	453.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97462	1.6
55.01874	1.7
57.03471	2.7
58.02942	1.5
59.01382	30.6
61.98832	27.3
63.94468	2.4
64.95259	10.6
71.01390	22.2
71.61193	2.1
73.01176	12.7
73.02948	6.7
75.42999	1.5
79.13427	1.8
79.95747	8.8
80.96466	1.9
83.01395	6.0
84.02919	1.5
85.02959	14.9
87.00871	2.2
89.00674	4.7
89.02463	6.6
99.00900	6.5
99.04565	3.2
101.00671	39.6
101.02434	16.2
104.98404	7.3
112.98823	13.9
113.02450	7.2
115.75218	2.0
119.03508	2.4
129.73152	2.0
134.99426	2.2
135.03058	2.1
136.95638	1.9
137.00986	2.7
142.99884	7.1
143.03497	1.9
143.04591	3.0
143.90141	2.5
144.90973	2.1
145.02975	5.3
153.67775	1.9
155.10767	4.8
161.04590	10.7
168.98323	2.1
173.00897	20.3
174.01694	100.0
175.02075	3.1
177.03419	6.1
199.13362	3.7
200.95364	3.9
245.01302	4.0
247.02838	2.2
276.20422	2.0
278.99997	24.6
291.18228	7.8
452.99625	4.3
453.23059	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	452.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74974	0.8
58.02979	13.3
59.01365	1.9
61.98827	6.2
66.03481	1.4
70.02978	1.4
70.41848	2.2
70.42201	1.1
71.01389	0.9
71.27405	0.8
72.00916	2.9
73.01175	15.5
74.02473	29.5
82.02988	3.5
84.04531	1.0
86.02477	11.6
86.06132	1.6
86.99106	2.4
87.05630	5.6
88.04045	1.2
90.00199	1.4
95.02544	0.9
97.04084	5.3
98.20572	0.9
99.05643	21.5
100.00421	4.2
101.07206	3.4
102.05621	4.4
104.98377	13.6
105.99670	1.6
107.06108	1.0
109.04060	2.6
109.07738	1.2
111.05632	2.1
112.04070	2.5
113.03567	1.6
116.01733	1.7
120.01200	0.9
123.05655	2.8
124.04063	1.6
125.03575	3.3
125.07159	0.8
127.05144	4.4
128.03540	84.1
129.03867	2.8
135.05624	5.8
137.07143	2.1
141.06726	5.4
143.04619	100.0
144.04933	3.3
145.06175	3.9
146.02776	1.1
146.04611	9.5
149.07196	1.0
151.05177	1.0
153.06674	6.4
155.08292	1.3
155.38112	0.8
160.00732	18.2
166.09895	3.8
167.04588	4.8
167.08234	3.4
169.06194	3.0
170.03317	2.0
171.04079	0.9
171.07802	3.7
175.01817	2.3
177.03378	3.5
179.04616	21.5
180.04968	1.1
180.07674	0.8
181.06171	4.2
184.10916	1.5
185.04034	1.0
185.05716	3.7
192.07755	1.5
197.05722	4.9
198.08791	1.0
199.07254	1.0
203.01370	1.2
203.04924	1.0
210.08836	19.3
215.04849	1.9
228.09824	1.9
231.04369	1.2
235.12047	0.9
242.07990	1.5
249.05426	2.4
254.07811	32.4
255.08093	2.7
272.08875	70.8
273.09222	5.7
286.04996	3.5
288.06601	13.7
289.06708	1.8
304.06070	6.8
306.07639	79.1
307.08075	6.3
360.06906	1.8
361.21262	1.0
378.07941	13.6
379.07950	1.3
452.09842	8.1
452.31036	2.0
453.10080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32528	0.9
57.03449	1.4
58.02978	12.2
59.01376	14.6
61.98825	9.7
63.94456	4.1
64.95242	7.2
66.03485	1.4
68.99828	1.2
70.02968	1.9
71.01373	3.0
72.00930	1.7
73.01170	7.3
74.02474	28.9
74.02898	2.1
79.95734	1.4
81.04585	1.4
82.02985	2.7
84.04564	2.1
86.02484	12.2
86.06108	2.0
86.99120	2.2
87.04533	3.1
87.05639	6.2
89.02438	1.2
90.00175	2.1
96.00991	0.9
96.04561	1.0
96.96005	1.4
97.04080	4.0
99.04495	1.3
99.05640	22.7
100.00390	1.8
101.02425	2.4
101.07211	3.8
102.05599	3.4
103.04022	3.2
104.98370	13.6
105.57377	0.9
107.06127	1.3
108.04512	0.9
109.04108	2.3
109.07710	1.2
111.05646	1.7
112.04062	3.1
113.03581	1.2
120.01264	1.4
123.05641	2.1
124.04021	1.2
125.03560	5.2
125.07310	1.0
125.48254	0.9
127.05148	5.3
127.08743	1.2
128.03542	83.8
129.03906	2.4
129.99670	1.1
135.05705	5.0
136.95605	4.3
137.07228	3.0
139.05115	1.1
141.06683	4.6
143.04619	100.0
144.04996	2.6
145.06239	4.6
146.02852	1.2
146.04579	7.5
153.06662	8.1
155.08261	1.9
160.00723	16.4
166.09818	3.6
167.04617	5.9
167.08273	3.5
169.06177	2.4
170.03343	1.9
171.04013	1.1
171.07764	5.9
173.00966	1.2
174.01683	8.7
177.03406	4.3
179.04616	26.0
180.04932	1.2
181.06190	3.4
185.05702	5.5
188.99503	1.0
192.07782	2.3
195.03525	1.6
197.05698	3.5
198.08760	1.6
199.07202	2.5
199.09081	1.6
203.01228	1.3
210.08833	20.1
211.09114	1.4
215.04962	1.5
228.09894	1.3
231.04471	1.2
242.07841	1.9
249.05672	2.1
254.07816	33.6
255.08209	1.6
272.08868	73.4
273.09149	5.6
279.00037	2.7
283.05157	1.8
288.06610	16.1
304.05997	3.9
306.07645	87.6
307.07947	5.9
346.10739	7.1
360.06912	1.8
378.07996	33.2
379.08325	2.9
395.27850	1.1
411.05945	4.2
452.09927	11.4
453.10202	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	12.9
59.01371	3.9
61.98822	4.3
66.03471	1.3
71.32553	2.0
71.32893	1.9
72.00903	2.5
73.01170	21.0
74.00701	3.8
74.02471	29.3
81.04573	1.4
81.20930	1.6
82.02981	5.4
85.04069	1.9
86.02475	14.3
86.06123	2.7
87.05651	6.7
96.04553	1.2
97.04044	8.2
99.05649	23.0
100.00398	6.9
101.07185	2.5
102.00217	2.7
102.05608	5.3
103.71033	1.2
104.98362	10.4
105.99667	5.2
107.06134	1.3
109.04060	3.1
111.77372	1.3
112.04025	3.1
113.03582	1.4
123.05608	1.7
124.04078	1.3
125.03556	2.7
127.05122	4.3
128.03542	100.0
129.03894	1.6
131.02838	1.5
135.05629	5.0
137.07170	1.2
141.06686	4.3
143.04625	95.0
144.04950	3.0
145.06145	3.1
146.04593	10.4
153.06673	6.7
155.08296	1.7
160.00729	16.5
166.09857	3.9
167.04578	4.6
167.08203	2.4
169.06142	5.8
171.07756	3.0
175.01810	9.2
177.03375	3.7
179.04622	22.6
181.06161	2.3
184.10966	2.5
185.03941	2.2
185.05640	3.6
192.07816	2.3
197.05666	6.7
198.08801	1.6
203.01404	1.5
203.04964	4.3
210.08833	23.3
226.08305	2.0
228.09798	2.0
254.07808	31.5
255.08333	1.9
261.41605	1.4
272.08868	63.9
273.09177	4.2
286.04910	5.8
288.06619	8.3
304.06122	27.1
305.06451	1.6
306.07654	57.4
307.07922	2.8
313.49829	1.3
337.04071	2.4
341.27856	1.4
378.08002	9.4
434.09174	1.6
452.10043	10.5
452.31061	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	451.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53708	0.7
59.01382	100.0
59.26715	1.0
59.90004	0.9
60.01706	1.1
61.98829	3.3
62.67811	0.7
63.53859	0.6
64.95256	0.7
67.25546	0.7
71.61089	1.0
75.69839	0.7
78.95924	1.8
79.93978	0.8
81.03447	4.2
83.05031	14.0
90.43521	0.7
93.14491	0.7
99.84183	0.7
113.06073	0.7
175.39545	0.8
182.72449	0.7
204.69978	0.9
391.29675	42.2
392.29971	6.4
451.15848	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	451.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01712	1.2
61.98840	3.3
64.84245	0.9
71.09486	1.7
78.95898	2.2
81.03467	4.2
83.05029	12.6
87.42084	1.0
92.73444	1.2
96.96952	1.3
118.95098	1.0
125.03030	1.2
137.33998	1.1
150.54913	1.3
235.68982	1.2
306.07605	2.8
339.77402	1.2
391.29666	38.4
392.30057	6.6
409.90060	1.7
442.15842	1.2
451.15643	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	451.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98894	0.1
57.03439	0.1
58.02971	0.4
59.01375	0.3
61.98834	0.5
68.33721	0.1
72.04552	0.1
80.05060	0.4
81.03460	9.4
82.03784	0.2
83.05025	25.0
84.05369	0.7
89.64198	0.1
100.07684	0.3
107.06155	0.9
108.04568	1.1
108.59811	0.1
122.39501	0.1
125.07210	3.3
126.05628	0.5
126.07533	0.1
133.59741	0.1
136.10872	0.1
143.08273	1.7
149.99605	0.1
157.13463	0.2
166.12422	0.1
168.00584	0.2
207.15016	3.7
208.13397	0.2
208.15277	0.2
224.17671	4.9
225.16069	11.9
226.16383	0.9
231.34610	0.1
242.16472	0.2
242.18756	1.9
243.19070	0.1
250.15581	0.3
268.16626	0.2
283.75790	0.1
290.22427	0.2
291.20773	0.1
306.22031	0.1
307.23990	0.3
309.21796	0.5
324.26581	1.5
325.26700	0.2
333.22964	4.5
334.23221	0.4
339.27628	0.3
341.29208	0.2
351.24036	1.1
367.27209	1.1
368.27328	0.1
383.30548	0.1
385.28174	0.3
405.26370	0.1
406.30328	0.1
433.31796	5.8
434.32159	1.1
451.32870	100.0
452.33188	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	450.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44818	0.5
57.03443	1.7
59.01376	0.7
61.98840	1.1
69.31504	4.1
76.78613	0.5
78.95907	5.0
109.06558	0.7
118.96250	0.6
140.01152	1.9
152.99570	1.2
163.10942	0.5
196.03809	1.0
214.04910	2.2
234.18393	0.5
253.21716	100.0
254.22057	10.3
281.19223	2.5
305.33444	0.5
450.26291	7.1
451.27658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24157	0.8
57.27815	1.0
59.01363	1.1
61.98835	4.3
71.61459	1.6
77.01261	0.8
78.95905	18.1
87.91698	1.1
115.67322	1.0
116.92848	1.4
117.89021	0.9
138.08618	0.9
140.01198	3.9
152.99600	1.4
196.03746	8.5
214.04865	2.4
253.21713	100.0
254.22084	10.6
388.30038	1.0
391.17957	4.0
450.20282	1.8
450.26260	24.5
451.26715	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	451.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69848	1.6
59.01394	9.8
66.85089	1.9
69.90927	9.3
71.01375	5.7
78.95912	1.8
85.02946	2.4
89.02447	9.8
89.67263	1.7
93.11435	1.8
98.19972	3.1
101.02442	3.5
108.90194	100.0
110.89898	7.4
112.89631	2.4
149.04561	9.3
151.00684	2.2
154.91563	1.8
183.47108	2.3
202.18918	1.7
205.18466	2.0
274.19592	1.9
408.99457	1.8
415.14569	42.6
416.14789	5.3
428.84491	1.9
451.12238	42.3
452.12457	4.5
452.94876	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	451.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.03444	2.9
59.01379	100.0
60.01704	2.4
61.98826	25.6
65.23336	1.0
70.36148	3.3
71.01380	19.3
72.99310	1.3
73.02949	4.8
74.02462	1.7
75.00880	1.1
77.05801	1.1
79.95758	1.2
81.03466	0.9
83.01387	2.6
85.02951	9.8
86.02566	0.9
87.00877	2.5
89.02443	4.6
95.01394	2.4
96.00910	2.3
96.96011	2.1
97.02936	0.9
99.00856	2.8
99.04532	1.4
99.05636	1.8
101.02444	17.9
105.21463	0.9
111.00909	1.0
112.22789	0.9
113.02450	8.9
115.00375	1.1
115.57814	1.1
119.03514	2.6
121.02982	0.9
125.02453	1.5
128.03535	4.5
143.03586	1.9
143.04631	5.3
159.02997	1.7
161.04564	9.4
164.07166	1.0
167.03528	1.0
170.14285	0.9
175.02486	1.0
179.10559	1.0
189.07054	1.1
199.08813	1.1
229.18205	1.5
254.07777	1.1
259.58420	1.0
271.02567	1.3
272.02679	1.0
272.08859	3.2
300.02747	1.3
301.03210	1.8
306.07617	12.5
323.70636	0.9
340.57172	2.0
344.12048	1.2
391.23337	40.6
391.28339	2.2
392.23682	4.9
451.16251	2.7
451.25504	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	451.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	95.8
59.01365	3.3
61.98837	2.9
71.61022	2.8
79.05524	4.6
79.95749	2.6
83.05029	17.8
88.98788	2.8
97.06554	3.0
101.07787	2.6
109.06595	39.2
110.28307	2.3
111.08124	3.0
123.08171	24.4
127.07633	2.7
129.68141	2.2
133.06627	5.0
135.08171	3.8
137.06068	3.0
137.09673	3.3
147.08141	7.3
147.11784	8.1
149.09724	13.1
150.97513	2.3
161.09662	3.3
163.11276	5.9
169.10121	2.9
175.11281	10.3
187.11252	4.1
189.12845	20.2
191.10822	2.6
215.14445	4.0
227.20026	2.2
239.14073	2.4
241.15997	4.2
255.17548	34.8
259.16992	4.0
281.19110	100.0
282.19434	9.5
283.17023	5.1
317.18924	3.3
364.48508	2.6
375.23236	15.6
376.23450	3.2
393.24353	36.2
394.24591	5.9
432.21262	3.2
433.27408	4.3
451.28534	14.0
452.28711	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60004	0.2
51.98990	0.2
53.76346	0.2
53.92913	0.2
54.03029	0.2
55.01866	0.4
55.59508	0.2
57.03434	1.0
58.00576	0.3
58.18145	0.2
59.01379	10.6
60.01703	0.2
60.21370	0.2
61.98832	1.5
67.01907	0.3
70.93430	0.5
70.93771	0.2
71.01381	3.9
72.99318	0.5
73.01192	0.3
73.02952	0.8
73.29185	0.2
77.07017	0.2
77.71441	0.2
79.74859	0.2
83.01357	0.4
85.02950	1.1
87.00882	0.5
89.02445	4.1
93.03488	0.5
95.01367	0.3
99.00867	0.3
99.04526	0.6
101.02449	5.1
104.98386	1.7
113.02434	1.9
115.04021	0.3
119.03510	1.4
143.03432	0.5
155.32756	0.3
161.04546	2.2
173.04634	0.4
177.12862	0.4
179.05647	1.1
183.13899	13.3
184.14241	1.0
191.05701	0.3
195.13908	11.7
196.14268	0.6
197.01360	0.5
208.11708	0.2
211.13420	1.1
212.13774	0.7
213.14958	100.0
214.15295	8.0
253.09280	19.5
254.09642	1.3
258.59140	0.3
344.19638	0.3
362.20923	0.4
449.24017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59401	1.4
59.01380	100.0
61.98829	3.6
69.58035	8.6
71.01398	4.4
73.52740	1.5
78.95908	6.3
85.02979	2.4
85.91079	1.4
89.02439	2.4
101.02467	2.7
113.02463	5.3
130.01227	1.3
152.99591	3.5
161.04486	1.5
211.43454	1.5
227.20161	88.5
228.20490	5.2
241.21799	2.9
269.21118	2.5
392.50620	1.5
450.26230	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63453	0.8
59.01378	8.9
60.01702	1.0
61.01811	1.1
61.47505	0.9
61.98831	100.0
79.81099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.7
61.61546	0.3
61.98832	100.0
63.43157	0.3
63.64832	0.3
77.96927	0.3
85.96417	0.3
89.02454	0.3
92.36622	0.4
98.19904	0.7
115.42220	0.3
166.11613	0.4
193.20131	0.3
214.41762	0.4
271.05975	0.8
273.99295	0.4
315.22894	0.4
315.41577	0.4
433.11539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
59.01378	7.2
61.01796	0.8
61.98833	100.0
63.99245	1.1
69.46148	5.4
71.01402	1.5
80.45242	0.5
85.02949	0.6
89.02428	0.7
91.57372	0.6
96.79536	0.6
99.04552	1.3
101.02444	0.9
125.02451	2.1
151.00502	0.6
151.44279	0.8
169.32242	0.5
260.06436	1.2
450.11316	0.8
451.21771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82048	0.4
55.01863	0.7
57.03447	22.1
58.00577	0.5
58.03781	0.7
59.01381	29.1
61.98842	2.6
69.30089	4.4
71.01387	5.7
72.99319	0.7
73.01177	1.0
81.03466	0.7
85.02952	1.9
87.00871	0.6
89.02460	3.1
89.35429	0.4
94.06617	0.8
95.01369	0.5
96.00891	1.5
96.04503	0.5
96.08166	1.4
97.01686	5.9
98.02460	0.9
98.06102	1.3
99.04522	20.4
100.04042	1.1
100.04854	0.5
101.00664	0.5
101.02438	7.0
102.96877	0.5
104.98375	2.0
106.06609	0.8
108.02190	1.0
108.04533	1.4
109.01673	0.7
109.05326	1.3
110.06123	1.8
113.02439	3.3
113.06209	0.4
115.04131	0.5
118.06606	2.1
119.03458	0.5
120.29602	0.5
122.06077	0.7
123.04523	1.3
124.07681	30.9
125.02451	7.0
125.07996	1.1
126.05613	0.9
134.06126	3.3
136.04021	0.6
136.07697	0.6
137.04814	0.9
138.05629	1.3
138.09186	0.9
141.00826	0.5
142.42519	0.5
150.05574	1.0
158.06059	0.5
162.05620	7.8
163.06409	4.0
166.05045	0.7
167.03513	1.8
174.01689	0.7
175.02429	1.3
176.07153	0.7
178.05110	8.1
179.02008	0.5
191.05614	1.1
192.06689	0.9
194.04585	1.5
200.14438	1.3
211.13487	0.9
213.14043	0.5
235.87878	0.4
243.14980	4.7
263.14807	0.7
287.14011	100.0
288.14340	10.5
301.15588	2.1
305.72314	0.5
329.15063	15.4
330.15323	2.0
449.18869	3.8
449.27609	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	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01381	66.0
60.01706	0.9
60.68528	0.8
61.98833	20.5
65.00320	1.3
65.65771	0.7
69.48580	2.3
69.49001	3.5
71.01385	4.6
73.02934	1.3
83.01403	1.9
85.02977	2.2
86.79639	0.7
89.02438	3.9
94.56496	0.7
98.19828	1.3
99.04530	2.6
101.02457	3.5
107.01414	2.4
113.02453	3.0
119.03509	1.2
125.02467	1.1
135.04539	11.0
142.52965	0.8
151.00394	12.2
161.04535	1.1
165.12965	0.9
167.10716	0.7
175.00394	2.0
188.19150	0.7
204.41872	0.8
207.13881	3.6
209.11900	7.8
213.92470	0.8
225.14937	7.1
227.12883	28.5
228.13200	1.9
245.08199	1.0
251.12819	2.1
259.06839	0.8
269.13931	21.0
270.14246	1.7
287.05676	14.6
287.14999	100.0
288.15350	9.2
293.13974	1.1
329.16003	2.8
449.10434	1.1
449.20218	12.4
450.20349	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23874	0.6
57.03440	2.5
58.00607	1.1
59.01379	100.0
60.01711	1.9
61.98830	39.9
62.98539	0.8
63.99274	0.9
66.21868	0.7
69.36179	5.5
71.01383	20.7
71.01763	1.2
72.99312	1.5
73.02948	1.4
77.63593	0.6
78.30003	0.6
78.95905	1.5
83.01389	1.5
85.02929	3.2
87.00891	2.1
89.02446	31.6
95.01406	2.1
96.96024	2.8
96.96974	2.8
99.04531	2.0
101.02442	12.1
104.98386	3.6
106.97989	1.3
110.63728	0.6
111.08186	1.3
112.98801	1.5
113.02445	10.6
119.03505	15.3
121.02870	0.8
125.02478	1.7
131.03511	1.5
142.99870	0.8
143.03522	3.8
145.02969	0.6
146.08231	1.1
149.04562	1.5
151.00409	1.3
153.09259	4.0
161.04558	5.2
165.01971	2.7
168.98242	0.8
172.43190	0.7
173.01001	2.0
174.01692	1.5
174.12358	0.7
179.05609	11.8
180.04298	1.7
189.53761	0.7
195.06703	1.4
209.15517	3.1
223.06140	1.2
225.07660	1.1
227.03551	0.8
227.16666	1.1
229.04103	0.8
243.06717	1.0
255.03056	1.8
257.03522	1.9
269.04544	1.2
277.12311	2.7
284.03436	0.7
285.03857	1.5
286.03995	2.3
287.04987	2.4
389.21774	19.6
389.26544	1.2
390.22223	1.9
449.09784	7.5
449.24234	1.3
450.11334	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	449.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87755	25.6
57.03452	42.6
59.01377	89.4
61.98826	100.0
76.77472	23.1
78.95913	71.5
91.11073	23.0
98.19824	44.4
108.26379	23.9
117.82954	24.5
130.61304	27.5
152.99556	82.8
158.25128	25.4
161.10881	28.0
178.21364	29.3
185.70462	27.0
369.54074	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1454
Annotation	TERNSTROSIDE E
Peak:m/z	Relative Intensity
57.03442	1.1
59.01381	36.9
60.01724	1.1
61.01790	0.7
61.98830	23.6
64.09057	0.5
65.53072	0.5
71.01379	9.4
72.99297	0.7
73.01178	0.6
73.02943	1.2
74.90138	0.6
80.02665	0.7
83.01372	0.6
83.23534	0.6
85.02965	2.3
87.00858	0.8
89.02445	11.8
92.51041	0.5
95.01399	1.0
96.95995	0.8
99.00867	0.8
101.02456	6.2
104.82106	0.6
108.02174	44.6
109.02522	1.6
113.02433	5.0
119.03503	5.3
123.04525	81.5
124.04845	3.3
131.03473	1.1
143.03467	0.9
153.09241	1.3
157.39929	0.5
161.04544	4.3
167.03491	100.0
168.03838	4.3
169.12369	1.1
179.05582	4.3
188.12793	0.5
209.15511	1.1
227.12802	0.9
252.79457	0.5
287.09412	0.8
318.52213	0.5
329.08759	1.4
389.21829	8.5
449.09735	0.6
449.20389	1.5
452.38504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1454
Annotation	TERNSTROSIDE E
Peak:m/z	Relative Intensity
57.03443	0.8
59.01378	18.9
61.98830	9.6
63.94450	1.1
64.95238	1.1
68.33981	0.7
70.99610	1.1
71.01368	3.5
71.61697	0.9
73.01175	6.2
73.02934	1.0
75.00790	0.9
80.02681	1.5
85.02955	1.1
87.00859	1.2
89.00644	0.8
89.02449	0.9
93.03455	1.5
96.96004	1.0
99.00846	1.6
101.02448	2.0
102.96831	1.9
104.98381	16.2
106.97977	0.9
108.02174	43.8
109.02479	1.9
113.02414	0.8
115.04006	5.7
123.04523	73.5
124.04835	2.8
124.07696	1.8
136.95552	1.4
161.04626	1.4
167.03488	100.0
168.03835	5.2
173.00897	0.7
173.04588	0.9
174.01701	3.2
175.02472	3.3
177.03360	0.8
194.99782	1.4
196.99596	0.9
197.01292	3.3
211.13370	2.0
212.13893	1.0
213.14194	1.0
215.05685	1.4
287.09183	1.3
287.13898	4.1
303.18192	1.1
308.15332	0.9
346.54852	0.7
370.14563	1.1
449.27396	1.1
450.12402	1.8
472.18372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01377	1.1
61.98819	1.6
62.96410	27.2
63.66075	0.3
69.96208	0.7
69.96606	0.7
78.95904	63.3
79.95718	0.4
80.97470	34.4
82.57189	0.3
83.63647	0.4
96.05171	0.4
96.96030	0.4
96.96986	0.4
98.19972	0.5
149.00085	16.2
151.01649	0.4
152.99561	0.5
179.01170	1.9
205.15961	8.8
206.16321	0.6
229.29391	0.3
242.98253	4.5
285.12579	2.0
339.13754	0.5
355.16794	19.9
356.17090	2.3
370.68744	0.4
385.17862	23.6
386.18152	2.8
431.13730	0.3
449.14966	100.0
450.15298	13.3
464.51965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65601	0.5
57.03457	1.3
59.01093	1.0
59.01381	17.7
60.01714	1.3
61.98830	100.0
69.73191	3.4
71.01376	5.3
72.01736	0.9
73.02960	0.7
83.01376	0.6
85.02965	1.7
89.02437	3.6
89.58994	0.6
90.02795	0.8
90.69482	0.5
99.04527	0.9
101.02452	3.7
101.71622	0.5
102.02726	0.7
113.02468	2.4
114.02810	0.6
119.03529	1.7
119.81306	0.5
143.04930	0.5
152.25374	0.5
161.04584	0.9
172.68701	0.8
225.15001	0.7
226.15349	1.2
243.06566	0.7
293.23465	0.6
387.20383	2.9
388.20569	19.4
389.21100	3.4
449.11200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22328	1.1
55.21859	0.9
59.01373	4.3
61.98830	100.0
70.04298	1.7
70.04694	2.6
83.76996	1.0
91.92210	1.1
158.51915	0.9
161.36769	1.0
237.95471	1.1
315.46045	1.2
355.64471	1.3
448.22949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.9534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	57.2
61.98812	22.3
63.28816	6.5
63.94455	11.3
64.95245	21.0
71.51148	11.8
78.95907	81.2
78.96817	14.2
81.72231	6.7
95.91691	22.0
96.96000	10.3
96.96960	12.1
112.98816	8.4
117.81772	7.0
128.89659	22.9
142.91220	17.5
152.05336	9.2
152.99591	100.0
153.99896	18.0
154.99950	6.9
173.00940	13.4
174.01695	77.9
183.13864	14.4
195.79399	7.1
210.56232	5.9
245.01140	14.3
271.96854	7.8
279.00040	70.6
313.23755	20.6
313.27295	6.5
392.04736	9.1
448.22226	10.7
449.14938	15.3
449.22955	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95253	0.8
57.03447	1.9
57.31748	0.9
57.50841	0.8
58.99583	1.4
59.01380	29.9
60.01707	1.2
61.01815	0.9
61.98835	70.1
65.99889	1.0
71.01397	8.8
71.61328	0.9
73.02962	2.6
73.04082	1.4
74.02479	4.4
83.01396	2.1
84.00912	22.6
85.01213	1.5
85.02969	4.4
86.99120	3.7
87.00866	1.1
89.02442	2.9
95.01382	0.9
96.00923	1.0
99.00948	0.9
99.04525	2.1
100.00411	9.3
101.02454	5.3
102.00208	2.5
108.02137	1.1
108.04533	2.1
109.02911	1.4
113.00668	3.7
113.02476	4.1
114.98605	1.1
115.00363	1.3
116.04984	1.0
119.03540	1.5
120.04566	5.6
121.02913	0.9
122.06165	1.9
122.99154	1.0
123.02051	1.3
123.05652	1.6
123.26884	0.8
124.04010	1.6
125.02416	1.5
125.03596	1.7
125.07194	1.4
129.00214	1.3
132.04553	5.6
133.04048	1.9
135.05650	1.6
136.02875	1.2
136.04057	3.5
137.02534	1.3
137.03491	1.6
138.01967	1.7
141.00133	1.4
144.04494	1.1
146.02458	4.8
146.06067	1.0
148.04082	7.1
149.02484	1.9
149.03566	10.8
149.04637	1.6
150.05605	8.7
151.00385	1.7
151.05110	6.7
152.03526	3.4
153.02028	1.3
154.03334	6.2
155.04596	1.5
157.11406	1.0
159.03043	1.2
159.05659	1.8
160.04002	2.2
161.03462	1.8
161.04591	4.9
161.07208	1.4
162.05589	3.6
163.05069	2.4
164.01898	2.6
164.03539	30.5
164.04816	1.3
164.07053	1.0
165.01884	3.8
165.03851	1.8
166.03482	1.2
166.05099	4.1
170.04561	0.9
171.05656	1.1
174.04326	2.2
175.05084	2.7
176.03539	11.2
177.06709	3.7
178.05124	1.4
179.04587	2.4
180.04358	1.8
181.06238	1.5
182.02850	7.6
187.05110	1.7
189.06697	6.3
190.05156	3.1
191.05566	1.9
192.01256	26.4
193.01379	1.5
193.06241	1.2
195.03699	1.1
195.06554	2.9
196.04448	1.4
197.01602	1.1
198.02322	22.3
199.02513	1.3
202.46161	0.8
203.04613	18.7
204.04889	1.4
205.06128	5.6
207.04128	14.2
207.07790	1.9
210.02298	80.0
211.02599	3.9
215.04692	6.4
221.03787	1.7
221.05690	11.4
223.05518	5.4
225.07698	2.6
227.14069	1.2
233.05701	13.1
239.05046	1.5
249.03401	5.4
251.06679	1.9
267.04440	100.0
268.04788	7.2
277.04639	2.7
285.05429	3.3
287.14978	1.7
311.03424	13.0
312.03485	1.0
319.96790	1.0
328.08307	1.4
334.17642	1.2
368.19681	0.9
374.07053	1.3
389.21783	7.5
390.21466	0.9
397.24374	2.5
414.16422	4.2
431.19437	1.1
449.04614	1.3
449.10367	17.1
449.23965	4.3
450.10529	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	448.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48496	0.5
59.01379	14.6
61.98829	100.0
71.01380	2.2
73.02991	0.6
79.95798	0.6
80.86948	0.5
89.02460	1.9
98.20750	1.3
101.02448	0.8
104.77782	0.6
111.60626	0.7
119.03503	1.0
161.04626	0.7
201.77504	0.6
205.05103	0.7
230.11679	0.7
371.78751	0.6
380.29794	0.6
389.21948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84504	0.3
54.16240	0.3
59.01380	8.4
60.01714	0.7
61.98830	100.0
69.19751	0.4
69.27164	0.9
69.27582	2.7
71.01398	0.7
89.02477	0.5
98.19822	0.6
111.70090	0.3
122.04487	0.4
125.02480	1.4
152.89348	0.3
161.04507	0.4
196.49274	0.4
259.06216	1.0
269.04593	0.6
287.05765	0.5
388.20428	0.5
449.10666	0.9
474.60269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.4
59.01379	8.8
60.01712	1.0
61.98830	100.0
69.27484	1.1
69.27911	2.8
71.01403	2.0
71.01734	0.4
72.01720	0.5
79.90076	0.3
85.02955	0.7
87.96191	0.3
89.02457	1.3
101.02462	1.5
113.02464	0.6
119.03490	0.4
161.04562	1.1
162.04883	0.8
176.14482	0.4
193.33055	0.4
194.19556	0.4
285.28152	0.4
388.20648	0.9
448.19266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.6
59.01381	15.6
60.01696	0.6
61.98831	100.0
63.94464	0.8
65.00336	0.7
70.63165	1.6
71.01412	2.6
73.02981	0.8
79.95753	0.6
83.01376	1.0
85.02937	1.0
89.02444	1.4
96.95996	0.7
101.02435	1.3
104.98386	33.8
105.98734	0.7
107.01387	1.3
113.02467	1.8
115.07675	0.6
125.09725	1.8
133.02969	0.7
135.04573	1.8
151.00383	3.5
152.00719	0.7
162.21663	0.6
164.18312	0.6
168.98212	19.0
169.98465	0.6
174.01701	1.1
216.40089	0.5
227.03566	1.8
228.03844	3.0
244.03424	0.7
247.37791	0.6
255.02986	3.1
256.03326	4.9
284.03180	2.7
285.03860	12.3
286.04379	17.2
287.05594	2.6
299.11102	0.6
300.02740	0.6
389.22116	0.8
448.09583	10.9
449.10068	3.0
473.52365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01379	15.6
61.98830	100.0
63.94453	0.6
69.82145	2.4
71.01392	2.4
73.01180	3.6
73.02957	0.9
75.00864	0.8
78.95911	2.1
78.98610	1.1
79.95756	0.6
83.01421	0.6
85.02950	1.1
89.02430	1.5
96.96020	0.7
98.19930	0.7
98.20486	1.1
99.00897	0.7
99.04523	1.4
101.02436	1.7
104.98385	34.3
112.98832	0.9
113.02457	1.8
115.00365	0.7
119.03526	0.8
125.02464	0.7
130.08740	0.9
134.04752	1.3
141.00116	0.8
159.01221	0.6
161.04559	0.6
168.98209	18.0
173.00911	1.1
174.01688	3.3
174.44473	0.5
175.02461	3.4
211.13467	1.3
227.03612	0.7
228.03885	1.1
255.03017	1.0
256.03369	1.1
279.00211	0.7
285.03864	1.0
445.78699	0.6
448.09503	2.5
448.18677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.7
61.98830	65.9
69.52988	5.3
69.53399	13.1
71.61330	2.4
78.95902	61.6
82.29351	2.2
85.53877	2.2
96.96972	6.6
152.99588	100.0
171.00705	4.7
252.83249	2.3
298.46295	2.8
449.22916	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50330	0.3
57.03448	1.0
59.01384	100.0
60.01722	1.2
61.98834	6.7
71.01391	5.2
72.99326	0.6
73.01180	0.5
73.02956	0.9
76.82514	0.3
77.89493	0.3
78.95924	0.5
85.02970	1.1
87.00877	0.7
87.59934	0.3
89.02449	6.7
97.35992	0.3
99.00889	0.6
99.04541	1.2
101.02445	3.8
102.30120	0.4
104.98404	0.6
113.02460	3.1
119.03503	3.2
125.02474	0.6
125.09757	0.4
129.10361	1.1
131.03546	0.4
136.97453	0.5
137.09717	0.4
143.03564	0.9
147.11763	0.5
147.80855	0.3
151.00328	0.3
161.04568	2.6
163.11401	0.6
164.07195	0.9
165.12863	2.7
168.11469	0.3
179.05600	1.5
189.12953	0.9
207.13930	3.4
211.13406	2.7
225.05626	0.5
225.15041	0.9
227.03525	2.2
249.14999	0.4
255.03041	2.4
256.03613	0.6
284.03333	2.4
285.04120	1.2
299.99130	0.4
300.02701	0.5
301.03586	0.5
387.20276	4.3
447.09338	4.4
447.26807	3.4
448.10013	0.7
448.26364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34468	0.3
57.03454	0.8
58.00600	0.4
59.01382	100.0
60.01712	1.4
61.98838	7.6
62.20462	0.4
64.89656	0.4
70.91606	0.9
70.91953	0.3
71.01386	8.9
72.99329	0.5
73.02959	2.8
74.19558	0.4
78.95926	1.6
83.01391	1.5
85.02966	1.5
87.00887	1.1
88.04061	0.8
88.66870	0.3
89.02446	8.3
95.01397	0.8
96.96993	0.9
99.00861	0.4
101.02447	6.0
105.02013	0.4
107.01372	0.5
108.53359	0.3
113.02456	4.2
119.03542	2.9
125.02495	0.4
128.03589	1.1
133.17734	0.4
137.09758	0.6
143.03540	0.8
149.04550	0.4
151.00392	1.0
151.04013	0.4
161.04549	1.9
161.71399	0.3
167.10876	0.3
179.05595	2.3
221.11783	0.6
225.11343	0.4
225.15038	0.4
227.03484	10.7
227.05669	0.6
228.03850	0.7
229.05035	0.4
255.02980	15.6
256.03659	2.5
284.03281	14.1
285.03992	6.8
286.04422	0.6
327.05127	0.4
387.20331	1.4
405.21237	0.8
447.09351	16.2
447.22980	0.6
448.09482	2.6
458.63300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	1.6
69.54770	1.4
69.55190	1.3
71.01382	5.3
73.02946	0.4
73.52450	0.4
80.94793	0.3
85.02962	1.7
87.00892	0.4
89.02441	6.6
95.01378	0.4
101.02442	2.5
113.02467	2.3
119.03490	3.0
133.02939	0.5
133.47960	0.4
143.03532	0.8
161.04543	2.3
163.35124	0.4
179.05600	1.8
189.12878	1.6
207.13934	0.7
207.25237	0.4
273.91330	0.4
285.04263	1.1
297.04282	0.4
298.04874	0.4
299.05698	0.8
327.05112	2.7
357.06134	2.2
387.20184	4.3
414.90427	0.4
447.09399	2.0
447.22519	1.0
456.85150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84304	0.4
59.01382	100.0
60.01722	1.5
69.55065	2.8
71.01380	2.9
73.02968	0.8
77.52761	0.4
85.02984	1.2
85.14552	0.4
85.52673	0.4
89.02462	1.9
89.76184	0.4
101.02453	2.0
109.56903	0.4
110.80154	0.4
113.02481	1.7
113.68865	0.5
119.03548	0.8
123.08197	1.5
143.03503	0.4
161.04570	3.0
163.11322	1.3
179.05647	0.8
189.12909	2.3
207.13937	3.5
225.15178	1.1
250.65041	0.4
306.63431	0.4
387.20441	1.5
392.17361	0.4
447.22412	0.8
463.44034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66323	1.5
55.01872	3.6
57.03444	2.4
59.01381	100.0
61.98830	5.3
71.01385	50.1
73.02956	13.9
83.01390	4.4
85.02949	20.6
87.00880	2.8
87.23283	1.7
88.84742	1.6
89.02435	9.4
89.22505	1.6
93.55550	1.4
95.01395	3.6
98.19865	5.9
99.00889	6.0
101.02443	32.6
106.11517	1.5
113.02448	22.3
113.06013	1.6
119.03512	5.6
134.57497	1.7
143.03517	2.9
148.13005	1.7
159.03030	5.0
161.03224	2.3
161.04565	46.2
162.04872	1.6
163.11252	3.4
179.05615	3.5
189.12886	2.5
207.13910	10.5
218.26837	1.5
225.14914	23.5
287.04904	1.4
319.40344	1.6
387.20258	32.0
388.20435	4.7
408.03149	1.4
412.80643	1.7
438.72025	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96135	0.5
59.01383	100.0
60.01714	1.5
61.98830	6.8
69.63221	1.8
69.63639	1.1
71.01389	4.1
73.02950	1.7
85.02970	1.3
89.02438	3.5
92.85387	0.4
98.20602	0.8
101.02427	3.1
113.02496	2.2
119.03529	1.4
123.08189	1.6
159.03026	0.5
161.04550	3.7
163.11270	0.8
167.10794	0.9
179.05672	1.3
180.96654	0.4
189.12840	1.9
207.13905	3.2
225.15005	1.4
244.68127	0.5
387.20142	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	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98279	0.3
51.46402	0.3
51.66375	0.3
61.98830	0.7
62.96411	1.3
65.41518	0.3
67.30139	0.3
71.53383	0.7
78.95907	40.5
95.45284	0.3
96.96961	2.1
104.89395	0.3
112.07722	0.3
149.00092	19.1
150.00439	0.5
156.64470	0.3
158.92511	2.1
179.01164	2.8
200.57570	0.3
205.15968	1.7
240.96776	0.4
396.80457	0.3
417.12579	0.8
418.13052	0.4
431.09973	1.9
447.13419	100.0
448.13797	13.6
464.09412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.5
63.96242	11.1
71.01387	1.6
71.59632	0.5
71.59994	0.9
72.00907	0.9
72.99319	4.5
75.00858	3.2
75.86160	0.5
76.61157	0.5
83.44427	0.5
86.99104	0.9
87.00880	14.0
89.02444	2.5
96.61561	0.5
101.02459	0.8
104.03552	3.3
105.00172	21.0
105.01939	100.0
106.02283	1.5
146.83044	0.5
149.04506	0.9
151.00731	1.1
179.05626	1.2
184.28345	0.6
205.50272	0.7
341.10928	4.1
385.97305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26200	0.4
59.01380	2.3
63.96246	0.5
69.66739	2.7
72.99306	4.9
75.00877	3.3
76.46153	0.4
87.00877	13.7
104.03543	1.4
105.01937	100.0
106.02269	1.8
149.04564	0.5
151.00729	0.5
241.88840	0.4
275.02145	0.4
298.86642	0.4
341.10797	0.7
342.11078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01717	1.2
60.57464	0.5
61.98831	11.1
68.72845	0.5
69.27135	2.2
69.27567	2.8
71.01387	5.9
73.02942	0.7
85.02953	1.1
87.00932	0.8
89.02447	7.3
101.02464	4.1
113.02479	2.4
119.03512	4.2
143.03488	0.6
159.02933	0.5
161.04524	2.6
165.59062	0.5
179.05605	2.4
184.17595	0.5
189.12885	1.2
207.13936	0.7
267.99139	0.5
296.88312	0.5
326.94916	0.6
387.20151	4.5
388.20682	0.8
398.57147	0.5
447.22961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.5
61.98829	100.0
71.01382	1.5
81.38490	0.6
81.82536	0.6
89.02466	1.3
98.20677	1.2
101.02465	1.1
107.01400	0.6
110.53330	0.6
113.02481	0.7
146.52878	0.6
151.00435	2.0
161.04564	1.1
163.00378	0.8
178.99876	1.3
193.98209	0.6
227.03491	20.2
227.05675	1.3
229.05103	1.8
243.02859	0.9
249.61575	0.8
255.02980	30.4
256.03799	1.9
271.02536	2.9
284.03250	21.1
285.04025	8.9
300.02710	7.0
301.03540	5.3
331.12033	0.8
354.30484	0.7
418.31876	0.7
447.09296	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	446.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83033	1.0
53.95656	0.7
57.42471	0.7
59.01378	5.5
61.98831	100.0
69.64947	5.1
71.01398	1.2
74.05215	0.9
80.91427	0.9
81.29236	0.8
83.01357	0.9
98.20596	1.9
101.02458	0.9
104.98398	7.2
107.01361	1.9
121.02943	1.8
132.93187	0.9
139.05202	0.8
139.13986	0.8
151.00388	6.6
163.00392	1.4
178.99838	3.3
227.03484	13.7
243.02888	3.2
245.04480	0.9
255.02979	27.5
256.03766	1.1
271.02466	19.3
272.03168	0.9
284.03259	13.0
285.04062	6.4
300.02740	29.7
301.03531	22.1
447.09323	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.3
61.98837	0.5
63.02397	0.6
65.00343	0.6
69.54604	0.2
71.60181	0.2
73.02956	0.3
78.95888	0.3
83.01358	0.5
85.02918	0.3
87.00867	0.5
88.04062	0.3
89.02441	1.7
91.01918	0.3
93.03457	0.9
101.02441	1.0
107.01360	1.4
109.02966	0.4
110.39725	0.3
113.02480	0.7
116.07157	0.3
117.03438	0.4
119.03481	0.5
125.02431	0.7
127.05164	0.3
128.03532	0.8
132.02191	0.7
135.00870	0.6
143.05064	0.3
151.00359	2.8
153.01929	0.5
159.04536	0.4
161.04579	0.5
163.00351	0.9
164.01147	0.3
165.01915	0.3
167.04993	0.3
169.01424	0.6
169.06537	0.3
171.04500	0.4
174.03235	0.6
175.04025	0.2
178.99803	0.8
182.03688	0.4
183.04515	1.2
185.02452	0.4
185.06079	1.1
187.04060	1.2
199.03979	0.5
200.04886	0.3
211.04001	2.6
212.04572	0.4
213.05493	0.4
227.03499	69.8
228.03847	5.6
229.05026	3.0
234.21013	0.2
239.03487	1.0
240.04283	0.5
241.05066	0.5
255.02985	91.5
256.03549	13.6
257.04514	2.2
269.04526	0.5
271.02240	0.3
283.02298	0.6
284.03262	79.0
285.03989	43.7
286.04395	3.5
299.05765	0.4
327.05154	1.6
447.09323	100.0
448.09680	13.9
448.15103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
59.01370	2.1
61.98833	2.2
66.89443	0.3
69.25573	0.8
69.25995	1.9
85.21542	0.3
101.02416	0.3
107.01381	1.0
113.02445	0.4
125.02441	0.6
135.00839	0.7
151.00352	2.5
153.01962	0.4
163.00409	0.7
169.06590	0.3
171.04503	0.3
178.99812	0.8
183.04576	1.3
185.06099	0.5
187.03996	0.7
211.03943	1.6
211.25293	0.3
213.05470	0.5
221.75581	0.3
227.03490	72.7
228.03854	6.3
229.05025	1.9
239.03452	0.8
241.05075	0.4
243.63586	0.3
254.01042	0.3
255.02972	89.9
256.03516	14.2
257.04370	1.7
284.03253	67.0
285.03952	29.6
286.04434	2.3
327.05026	1.5
387.20203	0.3
447.09308	100.0
448.09653	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	446.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01380	15.0
59.16076	0.5
60.59596	0.6
61.98830	100.0
71.01392	3.6
73.02940	0.9
78.72488	0.6
85.02957	0.9
89.02463	1.4
96.00924	1.1
98.02457	0.8
98.20736	1.2
101.02448	2.2
109.04085	0.8
110.02497	2.4
111.75864	0.7
113.02433	1.5
113.06238	0.7
133.57262	0.7
140.07187	1.0
148.04230	0.6
153.03099	1.8
161.04591	2.7
209.11775	0.8
223.13486	0.8
380.18378	2.8
381.18851	1.5
387.20480	2.0
397.20688	3.3
398.21225	1.8
418.61469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03460	3.2
58.00608	0.8
59.01379	100.0
60.01717	0.7
61.98829	96.6
67.13882	0.4
69.03453	0.9
71.01380	49.5
71.61158	1.0
72.16790	0.5
72.99309	1.7
73.02945	12.5
75.00872	0.6
83.01400	5.4
85.02951	20.9
87.00883	2.0
89.02442	9.8
95.01389	3.7
97.02937	1.3
98.19940	0.5
99.00884	5.5
99.73785	0.6
101.02443	31.9
113.02444	21.2
117.35523	0.5
119.03505	4.3
125.02401	1.2
129.01884	0.7
131.03506	0.8
137.09720	0.6
143.03496	2.9
143.04420	0.5
143.64380	0.5
149.04514	0.5
151.11183	0.8
159.02974	5.6
161.04552	37.8
163.11308	3.1
179.05585	4.1
181.12309	2.8
189.12846	3.3
197.15260	0.6
201.60420	0.5
202.72174	0.5
205.12381	2.8
207.13901	7.6
223.13231	1.5
225.14954	18.9
241.14279	1.0
255.02782	0.6
284.03009	1.4
285.03836	1.2
309.16794	1.0
368.18442	0.5
385.18475	0.7
387.20224	28.6
446.20462	0.7
447.08572	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	445.971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	28.8
61.54744	3.5
61.98830	100.0
67.87286	3.7
70.81528	5.0
70.81855	6.5
73.01178	4.8
75.33685	3.4
78.95903	48.1
89.00695	3.7
96.96971	3.3
104.39151	3.5
110.84727	3.4
111.04543	3.8
145.83661	4.1
149.00096	7.8
152.99606	21.6
173.00938	4.3
174.01390	4.1
222.54366	4.3
330.69901	3.7
447.08652	5.4
447.13596	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27193	3.2
52.24714	3.2
59.01382	23.6
61.98830	100.0
64.95231	4.2
78.95875	4.3
96.96022	5.8
101.02515	3.0
102.96808	6.9
122.99415	3.1
134.08971	3.6
147.65514	3.3
150.91908	3.0
227.03326	4.7
255.03014	4.9
339.20349	3.3
383.14740	4.1
446.25998	4.4
447.09302	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	446.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90956	0.1
59.01383	2.2
61.98830	13.8
63.02387	0.3
65.00336	0.3
70.73985	0.2
73.02971	0.2
83.01382	0.4
85.02951	0.4
89.02441	0.2
93.03476	0.4
101.02451	0.2
104.87674	0.1
107.01390	0.9
109.02953	0.2
113.02434	0.5
117.03461	0.4
121.02992	0.2
125.02439	0.7
131.04970	0.1
132.02164	0.3
133.02957	0.2
135.00858	0.4
135.04504	0.1
137.02376	0.1
143.05025	0.2
145.02982	0.2
148.56499	0.1
151.00380	2.2
153.01935	0.4
159.04524	0.4
161.04491	0.2
163.00391	0.6
164.01157	0.2
165.01959	0.2
169.01436	0.4
169.06607	0.2
171.04521	0.3
173.06104	0.2
174.03197	0.4
175.02531	0.1
175.04015	0.3
178.99860	0.4
181.12302	0.1
182.03717	0.2
183.04477	1.1
185.02409	0.3
185.06129	0.7
187.03952	0.5
189.05536	0.1
190.99698	0.1
195.04593	0.2
197.06067	0.2
199.03865	0.2
200.04791	0.2
201.05495	0.2
210.03180	0.1
211.04001	1.7
212.04980	0.1
213.05501	0.5
215.03561	0.1
226.02763	0.2
227.03500	66.4
228.04250	0.5
229.05009	1.9
239.03477	0.7
240.04176	0.3
241.04976	0.4
243.02969	0.3
255.02982	84.8
256.03763	6.9
257.04578	1.2
267.02936	0.2
269.04504	0.9
270.04907	1.3
283.02499	0.6
283.05905	0.1
284.03253	68.7
285.04034	24.7
299.05688	0.3
327.05145	1.3
357.05991	0.1
445.20847	0.2
447.09302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2361
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
58.62916	0.6
59.01378	1.4
59.01999	0.5
61.25580	0.4
69.67221	2.9
78.95908	18.3
85.53310	0.6
110.98533	13.2
125.54284	0.5
127.07646	0.6
132.21780	0.5
167.01147	18.5
174.14568	0.6
182.81657	0.7
185.02209	3.5
224.94659	0.5
248.77910	0.5
277.21725	100.0
278.22064	9.6
361.15112	1.6
445.23590	17.7
446.23819	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00917	0.6
55.01871	0.6
57.03454	1.2
58.00579	1.3
59.01381	100.0
59.23768	0.6
60.01721	0.9
61.98835	1.0
63.96473	0.6
70.74274	1.8
71.01386	15.2
71.01759	1.1
72.99322	1.1
73.02952	3.8
79.56213	0.7
83.01398	2.2
84.01673	0.7
84.47430	0.7
85.02966	3.2
89.02440	18.0
95.01388	0.9
98.20611	0.9
101.02441	14.2
104.78272	0.7
111.92492	0.7
113.02439	6.8
119.03490	8.0
119.04162	0.6
131.03488	1.1
143.03539	1.4
146.54529	0.7
149.04552	1.2
161.04579	4.6
165.09212	1.2
179.05608	6.4
179.10831	1.0
187.11328	0.7
205.12416	2.0
223.13396	8.4
235.13496	1.2
265.14606	2.8
392.16550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03184	1.5
57.03448	23.5
59.01380	100.0
60.01699	1.0
61.98821	1.7
63.02113	0.8
65.58849	1.0
69.03442	2.0
69.27816	9.7
71.01379	14.0
71.05028	1.5
73.02941	7.9
79.35513	0.8
81.03445	1.3
83.01365	1.9
83.05016	2.8
84.57977	0.9
85.02950	4.4
87.04498	0.9
89.02455	5.6
90.45036	0.8
93.91673	1.0
95.05040	1.3
96.40616	0.9
97.02962	1.1
97.06618	1.8
98.03724	2.6
99.00882	1.6
99.04527	5.7
101.02445	7.0
109.06577	1.2
113.02456	6.2
113.06091	13.9
119.03445	2.4
121.06580	1.4
123.08157	5.5
125.02414	1.4
125.06054	1.7
129.83513	0.9
135.08125	2.7
137.06075	1.7
137.09726	12.3
139.07713	1.4
141.09236	10.8
147.08167	2.0
149.09705	1.2
150.06859	1.2
151.07617	1.6
151.11250	3.4
153.09203	13.1
161.04591	7.7
161.09700	2.9
163.11287	9.0
165.09193	17.0
166.09421	1.2
175.07611	4.8
175.11111	1.1
176.08195	1.4
177.12827	8.8
179.10803	13.4
180.11079	1.0
181.12387	1.3
187.11290	13.2
188.11565	1.1
189.09207	1.6
190.09973	2.5
193.12337	3.9
195.13882	1.7
199.54555	0.9
203.05663	0.9
205.12331	48.1
206.12608	3.8
208.11055	5.1
221.92632	0.9
223.13388	80.9
224.13766	7.2
241.14403	2.6
268.15353	1.0
362.21393	1.0
385.18597	1.9
396.36966	0.9
403.19638	3.1
425.88498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72934	0.7
59.01380	100.0
61.98827	2.2
70.67039	1.3
70.67378	1.1
78.95895	5.6
79.58565	0.7
121.02996	1.0
143.58005	0.7
149.00085	6.2
151.74724	0.8
164.82741	0.8
180.70901	0.8
205.15897	6.1
245.25432	0.9
254.75003	0.7
348.52530	0.8
355.16815	22.1
356.17191	2.7
357.09521	0.9
385.17844	10.2
386.18106	1.5
408.18884	0.7
445.20081	3.7
445.25919	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32095	2.5
57.03461	2.2
59.01377	100.0
61.98833	37.0
63.94461	7.6
64.95248	44.6
69.53989	19.1
70.99603	3.4
73.01163	9.4
75.02739	10.1
78.95886	2.9
85.02949	6.4
94.95006	2.8
95.91675	5.6
96.92463	28.7
98.20695	3.9
99.00856	2.2
101.00664	20.3
103.57404	2.1
104.98383	8.2
106.99930	9.4
110.55783	2.1
117.00169	3.8
121.02953	5.4
138.97179	14.1
139.65550	2.3
142.99841	3.2
143.14705	2.6
152.99554	6.7
170.94406	4.7
173.00963	12.3
217.01750	81.6
218.02190	3.4
245.01241	7.3
247.02744	6.7
308.51907	2.9
310.97260	2.6
445.25909	4.9
468.75516	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	445.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61706	5.0
51.57973	4.9
52.56137	4.8
57.03441	5.9
59.01383	78.6
61.98840	100.0
65.94348	5.3
70.06657	23.3
71.01388	29.5
73.02950	9.9
79.95737	11.0
83.01410	7.8
85.02916	6.9
87.00883	12.9
89.02470	10.4
99.05651	6.2
99.39568	4.7
101.02446	10.2
111.04497	11.2
113.02458	12.8
119.03583	5.0
130.08752	6.8
143.04668	7.0
145.03004	16.1
151.00330	6.8
161.04581	9.7
173.00932	7.7
177.25607	5.5
205.12309	11.6
306.07681	11.5
307.08005	7.6
350.65939	6.0
361.48126	6.8
385.18408	5.0
445.07880	24.8
445.14987	8.5
445.20575	8.3
445.25977	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	445.0776
Annotation	Baicalin
Peak:m/z	Relative Intensity
51.11091	0.4
52.92192	0.3
55.01864	0.7
57.03450	2.2
57.93385	0.3
59.01379	30.6
59.90824	0.3
60.01702	0.4
61.98830	44.0
63.02377	2.2
63.96231	0.4
65.00333	1.1
67.01912	0.5
68.99813	0.6
69.83389	0.4
70.17169	0.9
70.17562	0.9
70.99624	0.4
71.01385	8.9
71.22598	0.3
72.99299	1.2
73.01178	0.6
73.02943	1.9
75.00877	3.4
79.95717	0.6
81.03439	0.4
83.01393	1.4
85.02952	14.6
87.00877	2.3
89.02430	3.1
95.01389	4.8
99.00880	5.2
99.04528	0.4
101.02439	2.3
103.00381	2.0
107.01387	2.3
111.00882	0.4
112.77892	0.4
113.02448	24.3
114.02777	0.8
115.00391	0.9
117.01992	1.8
117.03475	6.5
119.03513	0.9
122.71934	0.4
129.01944	1.4
139.00383	0.4
143.03563	0.4
149.02431	1.5
151.00333	1.9
159.04543	1.9
161.02444	1.4
161.04529	1.0
166.97185	0.4
169.06622	0.5
173.01003	0.5
175.02473	4.8
179.05586	0.7
181.06596	0.6
183.04495	1.1
195.04150	0.4
197.06033	0.8
199.03816	0.5
201.05542	0.9
205.12289	0.6
209.11823	0.9
223.13411	1.5
224.04845	0.6
225.05562	1.4
227.03468	0.6
269.04538	100.0
270.04898	9.3
283.02298	0.6
291.10748	0.4
300.02594	0.9
385.18695	1.1
404.21341	0.5
444.97443	0.4
445.07782	1.8
445.20584	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	444.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28630	0.3
59.01380	7.5
60.01696	0.6
61.98832	100.0
62.20551	0.4
62.98544	0.4
71.01385	3.9
72.99339	0.5
73.02961	1.2
74.02490	1.3
78.95908	0.4
83.01408	0.5
85.02972	0.8
87.00884	0.5
88.04057	0.8
89.02450	1.1
98.20644	0.9
99.92616	0.5
101.02442	1.8
102.02840	0.4
109.01658	0.4
113.02463	1.4
113.03613	0.4
115.00434	0.6
115.92065	0.8
116.07228	0.6
116.92868	1.2
117.92860	0.6
119.03519	0.6
125.92809	0.5
127.05186	0.5
128.03552	0.9
129.10307	0.6
130.08783	1.1
135.70926	0.3
139.08817	0.4
139.84962	0.4
145.06290	0.3
153.09200	0.4
161.04565	0.6
166.08791	0.5
167.03532	0.5
184.07185	0.3
186.12378	0.5
205.12370	0.4
222.12372	0.5
271.02582	1.3
285.03943	0.4
289.73691	0.4
299.02020	0.5
300.02878	0.8
310.23349	0.5
329.12277	0.5
364.09830	0.4
383.01053	0.4
384.18729	1.1
400.22131	0.4
414.24036	0.4
427.22241	0.8
444.25089	3.0
445.07950	1.1
445.23193	1.4
454.03079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.04
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65487	1.3
57.81998	1.1
58.02971	4.3
59.01375	8.0
61.98829	9.6
69.64319	5.6
69.64736	2.6
71.01379	2.3
74.02460	10.7
75.00837	1.4
78.98664	1.3
79.95699	1.3
80.96539	1.3
81.17504	1.2
82.02999	1.6
86.02477	4.9
87.00854	1.6
87.05636	3.4
88.96494	1.2
90.00173	1.4
95.64383	1.5
97.04048	1.7
99.05637	9.7
101.07181	1.6
101.83291	1.1
102.05592	1.9
111.05639	1.4
112.04034	1.5
116.01778	1.5
117.32567	1.2
121.02952	3.2
123.05573	1.4
125.03574	2.0
127.05098	1.6
128.02571	1.7
128.03532	31.6
135.05649	2.2
141.06708	3.1
142.17720	1.3
143.04628	41.4
145.06232	1.4
146.04584	4.1
153.06686	3.0
160.00742	10.8
167.04596	3.3
167.08206	1.6
171.04002	1.3
173.00941	1.2
174.01682	8.8
177.03352	3.5
179.04604	8.2
185.02965	1.2
185.05583	1.7
197.05611	1.3
210.08809	6.2
242.07724	1.6
254.07823	8.7
265.49274	1.2
272.08862	15.5
278.99872	5.7
288.06592	5.4
306.07645	100.0
307.07928	7.3
378.08148	6.0
387.63910	1.5
397.11850	2.5
408.53204	1.1
423.48892	1.4
443.43216	1.3
444.11612	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	444.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.0
58.02992	12.9
58.83629	2.0
59.01374	6.1
61.98835	53.0
71.01382	6.6
71.60841	3.8
72.00902	5.2
73.01177	4.4
73.04053	2.7
73.67051	2.0
74.02473	27.9
74.99093	2.1
75.00864	3.5
75.02733	5.4
76.92408	1.9
77.02338	3.1
78.95904	8.7
82.03003	5.6
86.02474	8.8
87.00872	3.0
87.05635	6.5
88.04028	4.7
89.02445	4.9
90.00205	3.1
92.63712	2.0
95.93459	29.3
96.00916	5.1
96.94231	30.5
96.96005	4.2
96.96951	4.7
97.04079	4.2
98.02454	3.5
99.05628	15.3
100.00404	3.7
101.02400	2.7
101.07222	7.1
102.01978	8.2
102.05622	3.9
109.04074	5.2
112.04085	2.7
113.03538	4.2
114.01949	2.4
115.08760	2.0
116.01709	2.2
117.05568	4.3
123.04570	2.4
124.04013	2.6
125.03548	5.0
127.05122	10.7
128.03542	63.7
130.08743	2.3
131.04631	2.9
135.05643	4.0
137.07156	2.1
138.98907	3.0
141.06670	3.1
143.04623	65.4
145.06190	9.2
145.09837	3.1
146.04581	8.6
147.04501	10.7
153.06660	4.7
155.08252	3.9
160.00763	19.5
162.05885	2.6
164.07167	31.0
165.07478	2.0
166.08720	2.0
167.04680	3.5
167.08261	4.4
170.96144	6.5
171.07640	2.2
177.03416	5.0
179.04573	15.2
193.06262	2.9
196.63472	2.1
199.07205	2.9
210.08928	10.0
241.11917	3.0
254.07832	17.6
272.08890	20.4
288.06464	2.5
306.07693	24.8
315.01468	7.1
344.29459	2.0
346.10938	6.6
426.04715	6.4
426.19388	3.1
444.05722	100.0
444.20865	6.5
445.05740	14.2
445.19965	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	443.1925
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
52.31746	0.4
55.01880	1.7
57.03450	4.7
58.00594	0.9
58.40723	0.4
59.01382	65.0
60.01725	1.2
61.98841	3.3
65.56307	0.5
69.03463	1.3
69.62028	2.8
70.24359	0.4
70.99612	5.9
71.01383	25.9
71.05018	0.9
72.01728	0.7
72.99323	1.5
73.02950	16.2
75.00891	0.6
81.03453	1.1
83.01386	5.9
85.02949	9.2
87.00887	1.8
87.04514	0.7
89.02448	7.5
95.01403	1.7
95.05042	1.0
96.00916	3.2
97.02955	1.0
98.02496	1.9
99.00891	3.4
99.04538	2.1
101.01773	1.0
101.02447	18.7
104.16234	0.4
107.04990	0.4
109.06594	2.5
109.33759	0.4
111.00896	0.7
112.98816	2.7
113.02461	7.7
113.03616	1.5
115.00414	0.7
115.04073	0.5
119.03520	2.8
121.06588	0.9
123.04549	0.7
123.08154	4.1
125.02453	0.8
125.06126	0.7
128.03517	0.5
129.10376	1.3
130.08720	0.9
131.03494	0.7
134.99448	3.0
137.09723	28.4
138.10107	1.4
142.99870	1.4
143.03514	1.7
147.08154	1.7
149.09792	0.9
151.07628	0.9
153.09157	0.5
157.10233	0.6
159.03064	0.6
161.04529	3.1
161.09758	1.6
164.08481	1.0
165.09232	1.8
165.10445	0.8
166.08772	1.0
167.04759	0.4
167.10724	0.5
170.07388	1.6
173.00879	3.2
174.01707	1.2
175.02434	0.8
177.09227	0.5
177.12869	5.7
179.10776	9.3
181.08658	4.0
183.11388	0.7
185.09813	0.5
193.12273	0.7
195.13853	2.9
203.10780	3.6
204.11163	0.5
205.08675	0.6
209.09230	0.7
221.11815	14.4
222.12213	1.6
239.12845	2.5
240.13364	0.5
245.01192	0.6
247.02905	0.8
271.02664	0.8
300.02682	1.2
355.07910	0.5
357.19193	1.5
368.22198	0.5
383.16998	0.9
399.25885	1.1
401.17960	2.6
408.21436	3.9
425.24130	4.3
443.19205	100.0
444.19473	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	443.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85989	1.3
56.42443	1.5
57.03447	100.0
58.03777	3.6
59.01092	3.1
59.01379	53.6
61.98830	2.8
63.79498	1.5
69.34667	12.1
71.01379	37.8
72.01731	1.4
72.99299	3.2
73.02944	6.8
74.02444	1.8
74.22627	1.3
81.03453	3.2
83.01385	2.9
85.02950	9.7
87.00880	3.8
88.04056	2.1
89.02441	19.7
90.11040	1.4
95.01381	2.4
99.00861	2.6
99.04515	91.3
100.04863	3.7
101.02443	31.2
113.02451	19.3
119.03504	8.9
119.05023	20.6
125.02444	59.7
126.02789	3.1
128.03529	2.6
135.04477	2.1
137.06046	1.7
143.03522	5.0
150.03207	6.8
161.04535	4.1
165.05563	7.3
179.05530	4.1
182.98224	1.4
211.09741	2.0
221.11679	1.6
281.10300	48.7
282.10532	3.8
299.11349	32.2
300.11533	3.6
307.07263	1.5
324.80927	1.6
341.12280	10.8
411.49380	1.6
443.15643	8.5
443.25244	2.4
453.02060	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	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01881	2.2
57.03447	7.1
58.00621	1.0
59.01381	86.3
60.01732	1.4
61.98843	8.3
69.03441	1.8
69.16712	0.9
70.99608	29.5
71.01382	34.0
71.05034	2.4
71.61164	1.4
72.99313	2.1
73.01171	2.2
73.02954	24.0
73.47164	1.0
75.00864	1.4
81.03466	2.1
83.01389	6.4
85.02954	13.8
87.00859	2.8
89.02439	7.5
92.01981	1.2
95.01415	1.3
95.05052	1.5
95.21259	1.0
96.00904	6.5
97.02948	2.2
97.78960	1.2
98.02493	4.3
99.00903	6.9
99.04515	4.2
101.02440	18.9
106.58685	1.0
109.06592	6.2
111.00888	3.1
112.98820	16.4
113.02439	11.5
113.03591	2.2
115.00372	2.5
115.08778	1.6
116.07213	1.9
119.03519	2.5
121.06601	1.7
123.04543	1.6
123.08195	6.4
125.02455	1.3
128.03557	1.6
129.10390	3.2
130.08766	2.2
134.99452	18.9
135.08127	1.3
136.05338	1.3
137.09724	71.4
138.10081	3.0
142.99846	9.9
147.08176	3.7
149.09712	2.2
153.09175	1.3
155.08202	1.2
155.11932	1.2
157.10196	1.5
159.02934	1.1
161.04602	2.4
161.09715	1.8
164.08435	2.1
165.09222	5.2
165.10405	1.8
166.08771	3.1
167.10721	1.9
170.07350	4.1
173.00906	24.3
174.01596	2.9
175.02449	2.2
177.12851	5.6
179.10780	21.8
181.08644	8.2
193.12341	1.8
195.13936	3.7
203.10768	12.0
204.11061	1.3
209.09383	2.4
213.12532	1.6
221.11832	31.1
222.12195	2.8
228.17157	1.5
239.12900	4.3
247.02660	5.1
252.24680	1.0
300.02722	1.3
322.49844	1.1
327.24200	1.7
357.19156	1.8
408.21384	8.0
413.24219	3.2
425.24069	11.3
426.24310	1.4
443.19217	100.0
443.24713	7.6
444.19327	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10799	3.0
57.03443	7.4
59.01380	52.0
61.98832	10.0
62.79792	3.2
68.65391	3.2
70.99606	100.0
71.01388	16.1
73.01176	5.1
73.02972	5.7
73.72834	3.5
82.74913	3.9
85.02987	5.5
96.00912	3.9
96.35886	3.4
98.20813	3.7
99.00887	15.2
101.02477	5.1
109.06615	3.8
111.00923	4.7
112.98818	49.1
115.08743	4.3
129.10368	5.9
130.08752	5.0
134.99443	53.1
137.09715	19.5
142.99850	25.8
147.08156	3.7
173.00893	90.1
174.01620	10.2
179.10754	9.9
203.10709	7.6
221.11784	10.2
245.01205	6.1
247.02831	10.5
264.85007	3.7
286.73047	4.5
305.06641	5.3
408.21063	4.9
425.24112	7.3
443.19354	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	443.152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02996	0.5
58.99614	0.4
59.01388	1.9
61.42088	0.3
61.98832	100.0
68.99753	0.3
70.02997	0.4
70.54611	0.3
71.01379	1.1
71.31937	0.5
73.15693	0.4
74.02503	0.4
74.99107	0.6
75.00874	2.3
78.95897	0.7
79.95725	0.6
88.04063	0.8
89.02477	0.4
96.00956	1.4
96.96037	1.2
96.96992	1.1
99.05612	0.4
101.02459	1.0
102.02005	0.9
103.47322	0.3
113.02435	0.4
113.03635	0.5
113.07221	0.4
114.01970	0.9
114.05608	0.6
115.08800	0.5
116.92876	0.5
127.05164	0.4
128.03574	2.5
130.08810	0.4
131.04639	0.7
133.03076	0.4
135.03455	0.3
138.31705	0.4
143.04671	1.3
145.06224	0.6
146.08287	0.5
153.06683	0.4
161.02475	0.8
173.17502	0.3
186.12445	0.4
214.15651	0.9
218.10370	0.8
232.55504	0.3
272.08978	0.9
273.09250	0.4
288.01923	0.4
304.06192	0.6
305.06265	0.7
306.07794	0.6
307.07974	0.7
328.19864	0.7
358.95764	0.9
443.16577	0.5
443.22638	2.9
444.21057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03320	2.9
58.02964	11.1
63.96229	3.6
64.95257	2.7
66.58720	2.1
69.95479	5.0
69.95869	7.3
72.00375	3.5
72.00904	5.1
73.98338	3.7
74.02476	25.8
79.67127	2.4
82.03024	3.0
85.04115	2.3
86.02472	15.1
87.05636	4.5
92.72095	2.2
98.46776	2.8
99.05642	23.3
99.26527	2.3
100.00423	5.4
101.07203	4.0
104.18167	2.3
104.98367	7.8
109.04008	3.5
114.00204	2.6
120.97868	6.3
125.03592	4.4
127.05138	9.9
128.03542	79.5
129.03877	4.2
130.05092	2.9
135.05643	5.1
141.06708	5.8
143.04634	91.2
143.64720	2.8
145.06168	9.4
146.04568	9.1
153.06720	6.4
160.00696	19.5
166.09845	3.0
167.04651	6.8
167.08191	2.9
169.06110	2.6
171.07733	11.8
177.03377	6.6
179.04646	19.5
185.05670	4.6
197.05638	2.7
199.07217	5.0
210.08842	18.1
249.05588	2.8
254.07854	28.4
255.08188	3.1
272.08871	88.9
273.09229	8.2
288.06546	10.6
294.98230	3.0
304.06113	25.4
306.07635	100.0
307.08179	5.9
346.10464	3.8
378.07971	25.8
394.07480	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	442.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18090	2.1
57.03447	3.6
58.20680	2.3
59.01382	66.6
61.98824	10.6
62.11449	2.2
62.49069	2.2
63.94468	4.8
70.99586	3.0
71.01385	4.1
71.61221	3.1
73.01174	13.3
80.08620	2.2
80.85078	2.3
85.02975	3.0
96.23288	2.4
96.24192	2.2
96.92465	7.0
97.56448	2.3
99.00898	15.7
101.00709	2.7
104.98326	2.8
107.38259	2.2
111.00902	5.7
112.98817	53.8
140.98233	2.2
142.99870	35.5
173.00914	100.0
174.01624	15.4
245.01199	13.7
247.02827	49.1
267.06146	2.2
277.96655	2.6
298.68491	2.6
310.97226	7.7
311.22253	2.5
416.62280	2.5
439.14740	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	443.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25225	2.7
59.01380	90.7
63.94453	7.4
64.95249	100.0
68.66271	3.7
70.36012	3.3
70.99622	7.6
70.99956	3.3
73.01171	32.6
95.28730	3.5
95.91677	3.4
101.00668	13.5
103.31445	3.6
104.98389	9.0
105.03793	15.2
137.01003	25.4
168.98186	9.4
217.01765	59.1
218.02049	4.5
245.01143	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	443.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.7
56.29386	3.3
57.03461	7.1
59.01382	100.0
61.98833	9.2
64.95260	3.7
69.60677	16.8
70.99606	56.2
71.01381	34.9
72.37952	3.2
72.99300	3.6
73.01173	33.0
73.02931	16.4
83.01393	8.6
85.02951	17.9
87.00889	3.1
89.02456	12.3
95.01416	3.4
99.00867	12.5
101.02454	19.5
102.96780	4.7
111.00909	4.3
112.98828	40.7
113.02473	12.0
115.00399	5.7
115.08795	6.3
119.01870	2.8
119.03443	3.8
128.03558	5.4
130.08737	8.6
134.03673	3.4
134.99467	37.5
136.95645	8.5
138.02029	3.6
142.99872	14.8
143.11960	3.9
161.04515	5.7
173.00917	50.1
174.01718	7.5
177.01939	13.7
192.69974	2.6
194.18832	3.3
221.11810	9.1
245.01317	6.8
247.02766	8.5
267.85764	3.7
305.83496	3.4
399.26053	7.8
401.18604	4.5
443.19431	66.7
443.25098	7.1
444.19583	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	442.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16521	3.2
56.98025	2.7
58.02967	10.5
63.96231	6.1
71.59408	5.1
72.00385	5.5
72.00921	6.9
73.98321	6.1
74.02473	28.0
81.02207	5.9
82.03017	3.9
86.02479	18.1
87.05629	5.7
88.04050	4.2
97.04042	3.9
98.02457	3.4
99.05647	22.3
100.00389	5.2
102.00200	2.7
102.05617	3.4
104.98386	9.0
113.27745	3.3
114.00155	6.5
125.03561	8.9
127.05102	6.3
127.08829	3.1
128.03542	73.5
130.97250	2.8
135.05635	5.3
141.06705	4.3
143.04617	79.1
143.92593	2.9
145.06201	19.9
146.04572	10.9
153.06676	3.9
160.00772	21.0
167.04630	5.8
167.08235	3.1
171.07796	15.4
175.01810	4.1
176.85429	2.7
177.03378	6.3
179.04657	17.5
181.06270	3.9
184.11026	3.8
185.05675	8.1
197.05696	6.5
199.07230	9.9
210.08827	12.1
217.08302	4.8
242.07808	3.1
244.09373	6.7
249.05650	5.0
254.07843	22.5
272.08887	93.1
273.09427	10.7
288.06555	13.0
304.06097	61.6
305.05981	4.5
306.04156	5.2
306.07635	100.0
307.07974	7.0
349.05249	2.9
378.07889	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	442.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	2.1
62.95057	1.4
67.30777	1.2
72.00924	1.2
73.01170	20.4
74.00686	2.1
74.02474	8.8
81.04577	1.5
82.02996	4.4
85.04074	4.2
86.02463	4.6
87.05630	2.5
93.38905	1.2
97.04082	14.8
98.19815	2.9
99.05644	5.5
100.00415	7.7
100.04066	1.6
102.00203	9.2
102.05589	1.4
104.44621	1.3
105.99693	14.0
107.06161	2.0
109.04102	2.5
113.03539	2.7
114.00197	1.8
116.01745	2.5
125.03578	2.4
127.05142	3.4
128.03545	61.9
133.10477	1.3
135.05646	2.2
141.03052	3.4
143.04610	17.5
145.06207	2.6
146.04602	2.8
151.05138	2.7
153.06696	5.7
155.54076	1.4
160.00734	10.3
169.06163	5.4
170.09393	2.2
175.01833	20.4
179.04619	8.0
182.09320	2.2
185.03848	1.9
197.05666	8.1
203.04994	2.9
223.89108	1.6
226.08229	3.9
252.06274	1.6
254.07739	4.8
258.95358	1.4
272.08936	11.5
286.05127	6.7
304.06091	100.0
305.06387	8.9
306.07666	13.9
378.07800	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	442.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10202	1.2
58.02963	2.3
58.49528	1.1
59.01370	3.7
61.98838	2.1
66.72404	1.3
70.93608	3.2
72.00893	2.2
73.01170	20.6
74.00685	3.5
74.02477	11.1
81.02220	1.5
82.02975	5.3
85.04068	3.7
86.02470	5.7
87.05639	4.1
97.04064	16.4
99.05636	3.7
100.00401	6.8
102.00207	9.5
105.99686	14.6
109.04067	2.5
113.03568	1.8
114.00182	3.2
115.26080	1.3
116.01743	1.8
125.03545	1.8
127.05125	3.5
128.03540	67.5
129.03889	1.8
135.05626	4.7
141.03040	3.5
143.04630	21.8
145.06190	2.6
146.04581	3.6
151.05093	3.4
153.06683	9.0
160.00734	12.3
161.02435	2.5
167.04625	2.0
169.06200	7.1
174.41151	1.3
175.01807	17.0
176.00166	1.4
179.04636	9.1
182.09346	3.5
184.63228	1.3
185.03922	3.2
197.05696	8.5
203.05031	3.0
210.08739	2.1
226.08337	5.3
252.06265	1.7
254.07796	7.4
272.08862	9.2
286.04996	6.7
288.06561	2.2
292.50693	1.3
304.06076	100.0
305.06271	8.5
306.07614	22.3
321.23343	1.3
378.07870	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	440.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36861	0.9
51.38697	0.9
57.03448	7.4
59.01373	10.0
61.98833	19.1
63.89310	0.9
69.49065	0.9
70.99625	1.7
71.01379	10.3
72.99314	1.3
73.02954	2.2
79.95731	1.0
83.01379	2.9
83.89287	0.8
85.02953	1.6
86.99120	1.4
87.00900	1.6
87.02742	12.4
89.02454	1.1
93.03455	2.6
96.55878	0.8
96.96015	1.9
99.00871	10.3
99.04530	3.7
101.00670	1.7
101.02444	3.1
104.98383	2.7
109.02956	2.3
111.00919	3.8
112.04052	1.1
112.98817	34.9
113.00683	1.4
113.02438	1.2
114.03832	100.0
115.00374	1.7
115.04167	2.9
124.98846	1.5
125.02436	1.4
128.03551	2.1
129.00163	4.5
129.01961	1.8
134.03648	1.1
142.99866	26.0
143.04662	2.0
145.01385	1.7
145.29001	0.9
149.06131	1.4
158.02812	14.1
168.99623	7.5
173.00902	44.1
174.01656	7.1
178.02562	1.0
192.01588	19.4
193.05054	3.8
226.98915	1.1
229.01808	2.6
238.37888	1.0
240.94147	1.0
247.02794	6.7
279.87445	1.2
306.07739	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	440.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
60.88527	0.3
60.99616	0.3
61.54975	0.3
61.98831	100.0
70.63997	0.9
71.01388	0.5
71.47450	0.3
73.01176	0.4
87.00909	0.4
90.26890	0.3
95.30460	0.3
96.96025	0.4
98.73848	0.3
99.92590	0.5
101.02415	0.3
102.05626	0.4
104.98326	0.4
112.98811	0.7
115.00397	0.4
128.03531	0.4
142.99881	0.5
160.93671	0.3
173.00894	0.6
174.01683	1.1
175.02441	0.7
284.86548	0.3
325.32089	0.3
439.98535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.244
Annotation	12-Acetyldehydrolucidusculine
Peak:m/z	Relative Intensity
64.67841	1.1
68.99817	22.0
69.81981	1.3
70.42781	1.0
71.01381	2.3
71.62050	1.8
83.00134	3.5
96.99313	12.9
99.00884	4.5
109.01684	12.8
119.19122	1.1
122.06062	1.3
124.00442	1.3
128.50984	1.2
144.77486	1.3
173.03224	1.4
177.04233	1.1
190.05112	1.9
214.52074	1.2
250.07207	8.0
352.22772	5.9
362.21341	1.9
374.18579	1.2
378.04950	1.3
380.22321	11.6
381.22531	1.6
425.08060	1.3
440.24438	100.0
441.11563	1.5
441.24741	19.2
456.56625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14721	0.3
66.11931	0.3
66.82083	0.3
71.61610	0.4
78.95906	18.0
87.26181	0.4
97.44391	0.3
122.00147	1.0
126.02438	0.3
140.01175	4.9
152.99576	1.7
196.03810	8.9
197.04091	0.4
214.04871	1.8
241.21736	100.0
242.22067	11.2
242.24545	0.5
438.26242	23.2
439.26541	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	439.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24067	7.1
58.64214	5.2
59.01369	12.5
61.98820	21.2
69.78868	5.0
71.01340	5.6
73.01164	5.8
79.95708	5.9
87.00880	100.0
88.00386	11.4
88.04050	11.3
90.33099	5.4
96.96031	11.2
96.96948	5.7
106.46808	5.6
112.98850	10.0
128.43575	5.5
142.99870	10.6
152.05399	6.0
160.00726	6.1
160.84239	10.9
170.84409	6.7
173.00897	6.2
174.01675	26.3
174.62814	5.2
345.63193	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	439.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65268	0.3
62.52638	0.3
67.89123	0.2
69.59031	0.7
69.59466	1.3
78.95905	45.0
79.95734	0.3
96.96046	13.7
96.96963	100.0
162.99361	0.3
172.83574	0.4
173.01408	0.3
199.04741	0.3
223.48299	0.3
341.11096	0.3
346.06351	0.3
439.08719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59973	1.1
69.60384	0.8
78.95906	53.2
91.49972	0.2
96.96057	9.7
96.96963	100.0
101.27395	0.2
439.08517	1.1
449.95547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98827	10.2
67.70049	1.9
70.42802	6.8
71.01381	4.9
73.02961	2.8
78.95907	6.5
85.02960	3.1
87.00886	5.9
89.02430	4.4
96.95992	7.8
96.96954	6.3
98.45798	2.4
101.02449	4.6
106.96886	1.9
131.07167	2.5
161.04642	2.9
165.01909	6.8
180.04268	6.5
184.02841	2.1
187.37685	2.0
195.06654	11.8
225.07716	6.2
265.25928	2.1
391.13965	4.2
439.17398	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	439.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98818	6.8
70.16119	1.0
71.01385	6.0
73.02949	3.8
78.95908	3.7
80.15229	0.9
80.91694	1.3
83.01401	1.2
84.17767	1.4
85.02953	3.0
85.06594	1.1
87.00879	3.6
89.02438	3.0
96.96021	5.7
96.96964	7.2
98.19740	2.2
99.04520	1.0
101.02448	3.6
101.78318	1.2
113.02437	2.0
119.03486	1.4
129.01988	1.1
131.03636	1.1
131.07143	3.0
137.02490	1.8
148.77213	1.2
158.06187	1.2
161.04541	3.3
161.54489	1.2
165.01921	10.6
169.86908	1.1
179.03528	5.3
180.04289	7.8
195.06624	10.4
210.05316	1.5
225.07732	6.2
293.16220	1.7
391.14029	3.5
439.17801	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	437.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83693	1.1
57.03440	2.3
59.01381	100.0
60.01699	1.0
61.98821	3.1
64.95256	1.5
64.98780	1.0
71.01387	1.2
71.61409	1.4
75.00883	1.2
75.68660	0.8
79.95738	2.7
80.96525	3.8
99.04523	63.0
100.04867	2.1
101.02463	1.1
105.07095	2.0
121.06538	0.9
123.04504	1.3
133.06613	1.7
133.10284	1.2
145.06525	1.5
152.05470	2.1
158.99477	1.2
161.09700	4.0
163.07634	1.7
185.09743	2.4
189.63495	1.0
203.10793	16.5
204.11134	3.0
215.10896	1.4
216.93886	1.0
247.09779	19.4
248.10083	2.0
277.10934	0.9
302.81540	1.0
327.21466	1.0
453.74728	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80392	0.6
59.01375	3.1
61.98832	100.0
63.31096	0.5
71.01399	1.5
71.61836	0.8
73.01158	0.7
78.95905	1.2
79.95753	2.3
83.01433	0.6
91.09609	0.7
96.96059	0.9
96.96995	0.9
99.13430	0.6
112.98797	3.8
117.05369	0.6
142.99866	2.9
153.88199	0.6
164.25731	0.7
173.00897	4.4
174.01691	8.6
245.01225	0.7
251.53630	0.6
279.00159	2.4
325.06375	0.6
362.93347	0.6
438.25656	0.8
439.17905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.1
61.41780	0.9
61.98836	100.0
63.96279	0.8
71.01389	0.7
71.10689	2.1
73.01177	0.9
78.95905	1.4
79.95744	8.3
80.63481	0.8
80.96521	1.7
85.02959	2.9
96.96008	2.1
96.96980	1.7
99.00867	0.7
101.02467	1.4
103.51342	0.7
112.98787	0.8
123.66399	0.8
139.99052	0.8
142.99881	1.3
143.90213	0.8
168.04863	1.0
174.01689	2.2
179.03389	0.8
187.79605	0.8
223.81146	0.8
245.01155	0.9
263.88644	0.9
292.18390	0.9
378.27438	0.9
439.17938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.00235	0.4
57.03445	0.7
57.92434	0.5
58.02971	2.1
59.01379	8.9
61.98829	2.5
63.96242	0.5
64.95242	0.5
69.79868	2.9
71.01381	9.6
72.99310	0.8
73.01167	3.1
73.02943	3.6
74.02477	4.9
79.92393	0.5
79.93963	6.1
79.95739	100.0
80.96518	15.7
82.36777	0.5
83.01402	3.3
84.02200	0.4
85.02949	5.4
86.00114	0.5
87.00877	0.5
88.98801	0.8
89.02458	1.5
95.01432	0.8
95.93491	0.5
96.96025	0.5
99.00868	1.4
99.05647	5.2
101.02445	11.9
104.98423	1.2
105.00179	0.8
106.57453	0.4
111.92985	1.1
112.65278	0.5
112.93739	6.1
113.02467	3.3
131.04666	0.8
143.03575	0.5
143.04633	16.3
143.90160	31.3
144.90947	21.5
152.96823	1.6
161.04561	4.5
166.03297	1.0
168.04930	1.2
177.03394	51.0
178.03680	2.0
184.94063	1.6
217.06509	1.3
256.99091	0.8
258.95813	0.7
291.08508	2.4
291.18130	16.6
292.18451	0.7
299.02020	1.2
331.00977	0.8
346.95660	0.7
373.04041	2.6
437.00052	34.4
437.23868	6.4
438.00400	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	437.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01202	4.3
57.03458	26.0
59.01384	59.6
61.98833	10.3
69.43351	36.1
71.01387	28.9
73.02949	9.0
78.95905	11.0
79.95691	5.0
83.01340	4.6
85.02969	13.4
89.02435	12.7
96.97000	22.7
99.04533	13.1
101.02463	15.0
112.98840	5.3
113.02460	8.9
119.03472	7.5
125.02475	10.1
136.01631	6.7
151.00299	5.7
151.03999	10.6
151.07703	6.0
161.04591	19.4
163.07654	6.8
165.01993	5.0
179.05644	8.8
179.10873	6.2
181.05029	5.7
203.10779	24.1
204.53958	4.3
221.11845	63.7
222.12248	5.2
229.08673	5.6
275.09262	7.5
370.90335	4.3
374.22357	4.6
383.16885	8.8
396.21173	4.2
396.26300	5.3
401.18057	11.6
407.18805	6.2
437.09067	7.7
437.15607	100.0
438.16208	16.9
461.88062	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92033	4.1
53.91487	3.5
57.03450	29.2
59.01378	80.5
60.08701	3.8
61.98832	20.5
67.00558	3.7
69.33921	33.7
71.01392	25.3
72.99288	4.1
73.02930	7.1
75.00910	3.9
78.95918	10.3
79.39568	3.9
85.02960	14.4
87.00875	7.2
89.02447	20.6
96.96980	13.3
98.27388	3.4
99.04543	30.0
101.02445	26.1
109.12660	4.3
113.02472	13.3
119.03542	5.8
123.04518	5.7
125.02441	12.3
134.03764	6.9
134.23889	3.3
136.01668	16.1
137.02493	4.1
140.19727	4.1
148.14679	3.7
149.06090	10.4
151.04005	22.2
151.07593	4.5
151.98550	4.4
161.04561	21.5
163.07573	6.5
165.01904	9.9
174.01683	5.5
179.05553	6.8
180.04242	4.8
181.05072	8.0
203.10768	29.7
211.06232	4.7
221.11821	71.9
225.07813	5.2
260.06851	4.4
273.13116	3.8
275.09137	7.1
383.17255	6.0
389.12042	6.7
401.18176	12.7
407.18759	4.2
410.59872	4.0
437.09683	8.5
437.15649	100.0
438.15936	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	436.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.98827	9.1
66.03455	1.4
67.15539	1.3
70.03812	1.2
71.01398	1.8
71.60307	1.4
72.00915	11.2
73.00603	1.4
73.02943	1.4
78.95906	5.1
82.02979	3.2
87.00897	1.4
94.98085	5.7
96.00907	1.3
96.95997	2.8
96.96967	5.2
97.04095	2.2
99.00882	2.0
101.79986	1.2
108.04540	1.2
110.02501	7.2
111.02011	14.1
112.04039	1.9
129.01955	5.6
136.04077	1.3
147.03339	2.0
147.04529	36.2
148.04883	2.0
150.03079	1.9
153.03053	20.4
164.07164	100.0
165.07507	3.8
198.04074	4.3
241.04718	4.4
261.33231	1.1
271.05664	15.3
315.11176	2.9
357.94989	1.1
437.20575	1.9
441.53122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54988	1.3
59.01367	2.9
60.31222	1.4
61.98825	1.5
63.88058	1.3
67.12524	1.3
70.09396	2.7
70.09802	4.4
78.95901	25.8
85.21355	1.3
91.82421	1.1
122.00187	1.7
140.01195	5.3
152.99574	1.6
196.03792	13.0
196.53113	1.4
214.04872	2.3
239.20177	100.0
240.20502	11.3
276.10431	1.4
314.58862	1.4
316.74631	1.3
350.40085	1.4
436.24655	23.5
437.24875	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	436.247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31326	0.7
59.01382	4.0
61.98817	1.3
69.44164	6.1
75.55038	0.7
78.95906	18.8
79.36196	0.7
98.19859	1.4
108.71078	0.7
122.00130	1.2
134.63486	0.6
135.00891	1.7
140.01170	4.0
152.99632	1.3
196.03789	9.9
214.04837	1.5
239.20157	100.0
240.20515	10.0
436.24649	20.7
437.24896	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	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03431	0.9
59.01380	55.8
59.55227	0.9
60.01729	0.9
61.98822	4.3
62.43176	0.9
65.15616	0.6
65.75326	0.7
67.10216	0.8
69.90482	3.9
71.01369	4.6
73.01169	1.2
73.02965	1.3
79.95728	1.3
85.02956	2.2
87.00880	5.7
87.04514	7.2
87.84771	0.7
89.02460	2.0
101.02448	3.1
103.04015	1.2
113.02448	3.3
115.66344	0.9
119.03493	0.9
120.25238	0.8
160.00714	1.1
161.04564	1.8
183.13924	7.7
195.13924	7.8
213.14955	100.0
214.15283	6.7
255.16061	1.6
273.20547	0.8
288.06549	1.1
434.97443	0.9
435.25589	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	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.9
57.03448	7.4
58.00590	2.3
59.01381	46.0
60.01707	1.1
60.12640	0.3
61.98837	3.9
67.01913	0.5
68.99806	0.7
69.03453	3.9
69.39943	2.9
71.01384	100.0
71.05010	1.0
72.01720	1.4
72.99313	4.1
73.02950	38.0
74.03294	0.5
74.08391	0.5
75.00879	2.1
79.31078	0.4
79.95749	0.8
81.03458	1.5
83.01392	23.7
84.02164	0.6
85.02956	49.4
86.00098	0.5
86.03291	1.1
87.00886	4.4
89.02452	13.5
95.01387	7.9
97.02966	4.9
98.57290	0.4
99.00890	14.7
99.04521	1.4
101.02448	79.2
102.02775	2.3
103.04018	7.4
108.02186	0.7
109.02951	0.9
111.00833	0.8
113.02454	34.7
114.02774	0.5
115.04024	1.2
119.03498	6.3
121.59773	0.4
125.02454	11.3
126.02834	0.4
127.03981	1.0
127.11309	2.1
129.01956	1.5
129.09248	3.0
131.03488	0.8
139.00415	0.5
143.03514	6.6
145.05063	2.7
152.01173	0.7
153.01953	2.2
159.02998	8.1
160.03238	0.6
161.04564	46.5
162.04887	2.1
163.06119	4.6
205.03513	2.3
205.07124	1.0
229.07108	1.7
247.08238	4.6
289.16574	62.8
290.16895	5.7
307.10367	1.1
315.07251	1.1
329.97034	0.4
333.15851	0.4
350.19693	0.4
354.73825	0.6
386.87375	0.4
388.16653	0.4
435.22314	24.3
436.22906	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	434.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	95.1
60.01702	7.0
61.98833	100.0
62.70911	1.8
69.65112	10.3
69.65520	4.1
70.33488	1.8
71.01387	12.0
72.99306	2.5
73.02937	5.3
79.95747	5.1
80.01746	2.2
83.01358	2.7
85.02936	10.4
87.00861	3.6
89.02440	4.1
96.00861	3.0
98.20654	3.7
99.00871	4.6
101.02448	9.7
105.00203	2.5
109.01701	3.6
113.02463	10.8
129.10381	2.1
149.02399	3.2
152.33430	2.1
152.96828	2.8
161.04515	4.0
175.02412	2.1
176.01022	2.0
198.69484	2.5
199.13380	26.2
227.03433	9.7
244.06079	2.6
253.09232	2.5
255.03041	9.8
283.02347	6.9
284.03235	11.2
285.04047	7.1
347.07690	12.9
367.94073	2.1
374.18924	11.9
375.19727	2.7
433.97308	2.4
434.15851	2.6
434.21106	2.8
434.96661	2.2
435.21707	3.4
435.27209	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	435.1296
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
51.53468	0.5
59.01373	1.8
61.98817	0.9
65.03948	0.9
67.01884	0.7
69.67883	1.2
69.68283	3.3
70.01984	0.5
71.01385	2.0
79.05544	0.8
81.03460	34.6
82.03790	0.8
85.02972	1.3
93.03458	5.7
95.01400	1.8
98.19852	0.7
101.02458	0.7
106.04237	3.8
107.01392	0.9
108.02168	1.8
109.02949	3.1
114.12180	0.5
120.86093	0.6
122.03753	1.1
123.04530	100.0
124.04827	4.6
125.02444	1.0
137.02437	1.7
138.03191	1.0
139.74568	0.6
147.04489	0.6
149.02440	5.0
185.06120	1.2
187.07716	1.3
208.66017	0.6
211.07651	1.1
227.07153	2.1
229.08694	77.4
230.09045	6.3
255.06642	20.5
256.06934	1.9
273.07693	44.5
274.08029	4.2
343.05057	0.6
351.88187	0.6
435.12952	82.5
436.13214	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	435.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01976	0.5
52.69444	0.5
59.01378	6.1
61.20629	0.5
61.98829	5.3
65.03969	4.1
67.01886	1.9
69.44473	2.0
69.44893	2.2
71.01373	1.8
71.01749	0.5
73.02917	0.8
73.65244	0.5
74.63010	0.5
85.02921	0.9
91.01900	7.3
100.36489	0.6
101.02494	0.7
109.02953	53.6
110.03281	2.1
113.02430	0.9
134.03784	0.7
135.00883	23.3
136.01241	1.0
153.01933	100.0
154.02264	3.9
159.48297	0.5
177.01912	1.0
297.06189	13.5
298.06638	0.7
300.95404	0.6
306.07718	1.3
315.07187	14.7
316.07599	1.2
435.22711	1.1
435.29654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73908	0.4
56.83057	0.4
59.01369	0.5
61.98831	0.6
68.27317	0.5
71.52891	0.5
71.53229	0.6
72.04863	0.4
73.40938	0.5
78.95914	1.5
85.73771	0.5
92.93443	0.5
96.95972	0.5
117.03467	17.8
119.05028	6.9
121.03033	0.7
126.36446	0.4
127.11315	0.6
145.02954	100.0
146.03304	4.8
150.61522	0.4
152.99582	2.0
163.04002	5.3
186.48517	0.4
271.06891	0.6
287.19235	1.0
287.22278	10.2
288.22690	1.0
347.26178	0.6
415.24982	0.8
422.75455	0.6
433.25995	28.1
434.26324	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	433.2593
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
58.37802	0.3
59.01374	1.1
59.52544	0.4
65.44832	0.3
71.61641	0.4
74.62794	0.4
78.95913	1.5
93.82391	0.4
95.89136	0.3
109.42091	0.4
113.90109	0.4
117.03468	17.0
117.11819	0.4
118.03779	0.8
119.05025	6.5
121.03007	0.7
127.11249	0.3
145.02950	100.0
146.03316	5.6
152.99554	1.0
163.03996	4.3
178.73210	0.3
224.45341	0.4
269.21402	0.6
287.22284	9.6
288.22681	1.0
347.25864	0.5
408.28229	0.4
415.25015	1.0
433.25961	27.7
434.26242	5.4
451.51630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.9712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.5
61.98833	100.0
64.47921	1.5
64.82536	1.4
70.63155	2.7
70.63492	1.9
78.95910	2.2
97.01740	1.6
109.61201	1.7
119.16176	1.5
150.47684	1.6
174.01726	4.6
175.02081	1.8
210.63086	1.7
233.69127	1.4
282.54080	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	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91215	1.7
57.03436	6.1
57.95991	1.6
58.22153	1.8
59.01090	3.5
59.01377	48.1
60.01703	4.0
61.01800	4.1
61.24091	1.7
61.98832	100.0
69.63058	4.2
69.63467	8.0
70.97288	1.6
71.01375	6.5
71.72493	1.5
73.02962	2.7
78.95881	2.4
85.02916	4.1
89.02436	4.8
99.04524	4.3
101.02451	5.0
113.02415	3.7
120.01269	2.5
120.70370	1.8
125.02367	2.2
284.12872	8.7
293.43436	2.0
314.07483	2.2
434.20905	6.2
435.22095	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	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01382	4.3
60.01702	0.6
61.01813	0.7
61.98831	100.0
69.99137	2.0
71.01389	0.4
76.01089	0.4
112.93749	0.5
143.04616	0.7
149.04318	0.3
154.02957	0.4
163.94606	0.4
174.28056	0.4
183.24582	0.4
199.85153	0.4
228.76643	0.5
249.23828	0.4
272.08966	0.6
347.70630	0.4
434.20166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
58.00586	1.7
59.01381	100.0
61.98825	1.5
66.15440	1.4
66.34953	1.7
69.70332	1.9
69.70661	10.6
71.01386	14.0
72.99323	2.3
73.02941	2.0
77.38542	1.7
77.45204	1.3
79.95756	5.5
80.96515	5.5
83.01400	1.9
85.02937	2.6
89.02444	11.6
95.01402	1.9
96.00910	2.9
96.96886	1.3
98.02460	2.9
98.19931	2.3
99.92612	1.9
101.02463	10.9
104.89019	1.7
113.02437	6.4
113.03593	2.0
115.92095	5.5
116.92870	15.0
117.13390	1.5
117.92891	1.7
119.03516	5.1
130.08752	7.3
161.04468	1.9
179.05637	2.4
186.95602	2.9
187.11003	1.8
227.07182	2.9
229.77762	1.6
253.05383	1.9
267.19714	1.8
271.06235	3.9
398.14032	10.5
415.16025	2.0
433.04797	2.1
433.11810	2.9
433.20847	74.5
434.21130	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	433.2359
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
54.58027	0.2
62.21014	0.2
62.96407	0.4
67.25735	0.2
68.31004	0.2
69.77419	0.2
70.64316	0.2
70.93740	0.5
70.94096	0.2
78.95903	55.5
93.96370	0.2
96.96965	6.5
123.93599	0.2
150.98026	2.0
152.99585	100.0
153.99915	1.5
165.65761	0.2
171.00626	4.2
177.18987	0.2
266.12512	0.2
279.23334	1.1
433.23541	7.5
434.23843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15518	0.3
52.68439	0.3
58.92684	0.4
63.90434	0.3
69.97535	0.7
69.97946	1.1
72.17451	0.3
78.95902	73.9
93.71243	0.3
96.96962	6.6
150.98006	1.8
152.99585	100.0
153.99911	2.5
171.00630	2.8
200.25844	0.3
240.06363	0.4
279.23306	1.8
280.23486	0.4
433.23569	13.5
434.24063	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	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
58.00570	0.7
59.01381	29.7
61.98815	1.6
64.95232	1.3
65.00313	3.8
67.01849	0.5
68.99812	0.7
69.03448	0.7
69.78565	3.2
70.99605	0.9
71.01398	6.3
73.01173	9.2
73.02936	0.7
75.00880	0.7
79.01890	1.2
79.65987	0.5
79.95737	11.0
80.96509	2.6
81.03454	3.8
83.01382	4.1
85.02929	2.2
87.00874	0.9
87.04508	0.7
89.02450	3.7
93.03452	5.4
95.01379	1.7
95.04995	0.9
97.02524	0.5
97.02961	4.7
99.00871	0.8
99.04508	2.4
101.02455	4.1
105.03423	1.8
107.01407	5.1
109.02895	0.7
111.00900	0.6
111.04489	0.9
113.02431	3.1
115.03998	0.9
119.03516	1.5
119.05029	37.5
120.05336	1.9
120.99604	0.6
121.02959	6.9
123.00862	2.3
123.04504	1.8
125.02449	15.2
125.87654	0.5
134.99458	1.4
135.04509	0.8
136.01633	0.6
136.95558	2.4
137.01051	2.8
137.02458	4.2
143.05014	2.5
145.02943	3.0
149.02458	5.6
151.00377	11.2
152.00677	0.7
153.01936	0.7
155.03529	1.1
159.06534	0.6
161.04591	1.2
161.06041	1.4
163.00371	5.0
163.03981	1.1
164.01132	1.1
164.04625	0.5
165.01945	10.5
167.03511	3.5
177.01927	2.0
179.03442	1.6
181.01543	0.6
185.06062	1.4
185.94807	3.2
186.95493	1.0
187.04034	3.3
191.03557	1.6
193.01421	25.4
193.03197	1.2
194.01723	1.6
199.07576	0.9
200.95392	1.6
203.07050	0.8
205.01399	1.6
207.02936	1.7
211.06128	1.1
219.02898	2.3
223.02499	3.6
225.14984	1.0
227.07111	1.6
229.04979	1.1
241.08617	1.3
263.02216	0.6
269.08170	1.1
271.06125	8.8
271.15405	0.9
283.06055	1.9
285.04660	0.6
313.07169	100.0
314.07535	11.1
325.07281	1.5
329.88367	0.6
343.08203	27.2
344.08539	2.3
355.08075	1.8
415.10403	2.1
416.10641	0.8
432.97910	4.3
433.11392	17.9
433.20477	7.8
434.11752	3.2
434.21350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15044	0.9
55.01860	1.2
57.03453	1.2
59.01382	100.0
60.01718	4.1
61.98835	93.7
65.00327	1.5
67.19797	1.0
68.99811	1.2
69.34698	5.9
69.35112	2.9
71.01387	11.4
73.01169	4.4
73.02956	4.7
79.95741	7.4
80.96525	2.2
83.01392	4.7
85.02954	8.4
87.00884	1.1
88.98811	2.4
89.00607	1.4
89.02444	2.8
93.03458	2.2
95.01385	1.6
96.02146	0.9
99.00907	1.3
101.02453	7.6
106.98048	1.0
107.01373	3.0
107.43546	0.9
111.00860	1.0
113.02444	8.9
115.00381	1.4
119.03523	1.4
119.05053	6.4
121.06596	2.9
142.63176	0.9
151.00363	10.5
152.96848	9.2
161.04581	2.1
165.12875	1.3
173.00916	1.3
174.01663	3.5
175.02470	2.3
188.66005	1.1
197.11876	1.5
207.13875	1.7
209.11839	1.9
215.05826	1.3
247.02666	1.5
251.13010	1.8
269.13940	15.5
270.14270	7.8
271.06128	15.9
311.15112	1.5
355.91537	1.1
371.20901	7.8
372.21082	3.3
389.21820	7.0
390.22360	2.7
431.22882	1.3
432.21585	0.9
432.97427	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	432.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.7
60.01709	0.5
61.98829	100.0
69.52317	3.2
71.01395	1.5
75.00862	0.8
79.95740	0.5
87.29851	0.5
98.20571	1.2
105.30878	0.5
110.45014	0.5
163.67180	0.5
224.94536	0.6
373.77988	0.5
433.24640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16345	0.8
56.53345	0.7
57.03431	1.2
59.01383	100.0
60.01714	8.0
60.02002	1.1
61.01810	1.0
61.98832	93.1
70.00240	3.1
71.01381	4.3
73.01174	3.4
73.02958	1.6
79.62199	0.8
79.95726	0.9
83.01385	1.2
85.02958	1.5
87.00890	0.9
88.98830	0.9
89.02439	5.1
90.74792	0.9
98.10700	0.7
98.19920	0.9
101.02449	2.7
113.02456	2.1
119.03505	2.1
120.44251	0.7
128.91145	0.7
131.03552	0.8
136.45023	0.7
136.95607	1.1
140.61942	0.8
151.00388	1.0
152.93094	0.7
161.04514	1.1
175.02467	0.7
194.60826	0.8
195.95955	0.8
221.85654	0.7
243.02995	1.6
255.02985	2.8
271.02475	5.6
300.02731	8.0
301.03604	8.8
373.22375	1.6
433.07690	4.4
433.24719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30466	0.6
57.03415	0.7
58.95873	0.7
59.01379	39.8
60.01710	3.0
61.01814	1.1
61.98832	100.0
71.01389	3.9
72.99344	0.6
73.02972	1.0
80.91705	0.7
85.02962	1.9
89.02473	2.0
98.20633	1.5
101.02448	2.1
113.02457	1.4
119.03519	1.0
136.39214	0.7
152.96867	0.8
157.79810	0.7
161.04541	1.8
372.21582	0.7
433.19974	0.9
433.25095	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	433.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18388	3.6
53.93743	3.2
59.01382	100.0
60.53654	3.5
61.98816	17.3
66.56423	3.5
71.01393	6.9
73.01166	8.0
77.64292	4.0
78.95876	5.4
82.05447	3.7
82.61649	3.1
83.01407	4.4
83.75195	3.8
85.02955	4.5
95.91686	13.8
99.00881	8.0
106.51495	3.6
107.92706	3.5
112.98823	43.4
127.02216	11.5
129.00142	6.2
142.99873	16.7
145.01488	3.7
151.36334	3.5
152.99614	10.0
158.99361	9.2
173.00926	71.8
174.01620	6.3
234.72362	3.9
246.46968	3.5
247.02788	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	433.114
Annotation	Hemiphloin
Peak:m/z	Relative Intensity
57.03434	2.1
58.00570	0.7
59.01381	29.7
61.98815	1.6
64.95232	1.3
65.00313	3.8
67.01849	0.5
68.99812	0.7
69.03448	0.7
69.78565	3.2
70.99605	0.9
71.01398	6.3
73.01173	9.2
73.02936	0.7
75.00880	0.7
79.01890	1.2
79.65987	0.5
79.95737	11.0
80.96509	2.6
81.03454	3.8
83.01382	4.1
85.02929	2.2
87.00874	0.9
87.04508	0.7
89.02450	3.7
93.03452	5.4
95.01379	1.7
95.04995	0.9
97.02524	0.5
97.02961	4.7
99.00871	0.8
99.04508	2.4
101.02455	4.1
105.03423	1.8
107.01407	5.1
109.02895	0.7
111.00900	0.6
111.04489	0.9
113.02431	3.1
115.03998	0.9
119.03516	1.5
119.05029	37.5
120.05336	1.9
120.99604	0.6
121.02959	6.9
123.00862	2.3
123.04504	1.8
125.02449	15.2
125.87654	0.5
134.99458	1.4
135.04509	0.8
136.01633	0.6
136.95558	2.4
137.01051	2.8
137.02458	4.2
143.05014	2.5
145.02943	3.0
149.02458	5.6
151.00377	11.2
152.00677	0.7
153.01936	0.7
155.03529	1.1
159.06534	0.6
161.04591	1.2
161.06041	1.4
163.00371	5.0
163.03981	1.1
164.01132	1.1
164.04625	0.5
165.01945	10.5
167.03511	3.5
177.01927	2.0
179.03442	1.6
181.01543	0.6
185.06062	1.4
185.94807	3.2
186.95493	1.0
187.04034	3.3
191.03557	1.6
193.01421	25.4
193.03197	1.2
194.01723	1.6
199.07576	0.9
200.95392	1.6
203.07050	0.8
205.01399	1.6
207.02936	1.7
211.06128	1.1
219.02898	2.3
223.02499	3.6
225.14984	1.0
227.07111	1.6
229.04979	1.1
241.08617	1.3
263.02216	0.6
269.08170	1.1
271.06125	8.8
271.15405	0.9
283.06055	1.9
285.04660	0.6
313.07169	100.0
314.07535	11.1
325.07281	1.5
329.88367	0.6
343.08203	27.2
344.08539	2.3
355.08075	1.8
415.10403	2.1
416.10641	0.8
432.97910	4.3
433.11392	17.9
433.20477	7.8
434.11752	3.2
434.21350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
60.90499	0.3
61.29498	0.4
62.53539	0.3
67.98932	0.3
70.93654	0.8
70.93992	0.4
78.95905	60.0
85.49290	0.4
96.96970	6.3
150.98007	1.5
152.99590	100.0
153.99968	2.1
171.00635	3.8
201.21567	0.4
221.00302	0.4
276.99881	0.3
277.21710	0.9
296.79419	0.4
431.22003	7.0
432.22272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41803	0.4
56.79968	0.4
58.33367	0.4
59.01381	100.0
60.01725	1.6
61.98828	4.6
64.34818	0.4
71.01386	3.1
85.02955	0.5
89.02440	5.0
101.02437	2.1
101.79040	0.5
106.23334	0.5
113.02471	1.8
119.03511	2.1
133.03006	1.1
140.46721	0.5
143.03485	0.7
161.04576	0.8
179.05624	0.9
200.34509	0.4
219.37575	0.5
284.03323	0.9
285.04089	1.3
297.04022	2.7
298.04941	1.9
299.05615	0.9
311.05682	0.7
327.05051	5.5
328.05548	0.5
339.05188	0.7
357.06104	4.3
358.06714	0.6
413.08716	0.9
431.09885	5.0
432.10480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25748	0.5
59.01381	100.0
60.01724	1.1
61.98832	4.0
69.33984	3.8
69.34405	0.9
70.59436	0.6
71.01380	5.4
73.02950	1.7
83.01392	0.5
85.02985	1.8
89.02427	2.4
99.00853	0.7
101.02454	2.9
113.02454	2.4
117.78463	0.5
119.03542	1.7
131.29517	0.5
143.03488	0.5
156.70331	0.5
161.04546	2.6
165.12845	1.8
191.14426	0.7
207.13962	1.7
209.15514	1.2
212.81361	0.4
217.12691	0.4
269.13928	6.7
270.14261	0.5
272.11926	0.5
280.75671	0.5
285.04129	0.7
371.20853	2.1
374.97363	0.5
431.09872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
56.60662	0.7
57.03466	1.2
59.01381	100.0
60.01725	1.3
61.98833	10.7
71.01387	14.0
71.61395	0.6
73.02950	14.4
79.95763	0.6
82.29401	0.5
83.01391	4.9
85.02972	2.9
87.00880	1.2
88.98809	3.1
89.02446	4.5
99.00848	0.6
101.02438	14.9
101.03075	1.0
111.08199	0.9
113.02466	6.4
119.03520	1.3
120.99702	0.5
121.03013	0.8
131.03525	1.7
143.03523	1.6
149.04550	1.6
153.09207	4.6
155.03468	0.6
159.03032	0.8
159.04544	0.7
161.04555	6.1
176.04868	0.7
189.05609	0.7
209.15431	4.1
227.16557	1.0
269.35266	0.5
281.04276	0.7
298.31754	0.6
311.09290	1.5
315.30798	0.5
325.07416	0.8
355.12039	1.8
371.20691	3.9
372.21255	1.2
389.21915	1.6
431.22922	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30497	0.4
58.00578	0.5
59.01380	100.0
60.01723	1.3
61.98825	0.5
69.26701	5.0
71.01389	3.7
77.69831	0.4
85.02963	0.6
89.02439	5.5
101.02458	1.4
113.02460	1.4
119.03511	2.1
179.05615	0.8
236.00830	0.5
243.17618	0.4
274.81757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
58.78717	0.3
59.01380	100.0
59.35023	0.2
60.01719	1.2
61.98835	0.7
69.44786	0.3
69.61109	2.1
71.01379	4.6
72.92150	0.3
72.99307	0.5
73.02955	0.7
74.81583	0.3
83.01382	0.3
85.02951	1.6
88.98814	0.6
89.02443	3.2
95.01412	0.3
95.55546	0.3
99.00879	0.3
101.02454	3.1
110.31434	0.3
113.02438	1.9
119.03526	1.4
143.03566	0.4
159.03032	0.4
161.04552	1.5
179.05637	0.8
309.75919	0.3
371.20456	0.4
385.43143	0.3
389.20444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
60.99308	1.7
61.98819	1.9
70.53246	1.3
70.53580	1.1
71.30132	0.6
72.00906	11.6
72.46513	0.6
75.02747	1.6
77.02319	2.2
87.00880	1.6
87.05619	0.8
88.98262	0.6
88.98808	10.9
89.02412	1.5
91.05541	0.6
95.10342	0.6
96.00890	0.6
103.05561	0.6
104.03583	0.8
109.92494	0.7
128.03566	1.4
134.04744	2.9
147.04523	36.0
148.04866	2.3
152.62498	0.6
154.48662	0.6
160.97151	0.6
164.07166	100.0
165.07513	7.4
184.07381	0.7
199.07231	0.8
229.87650	0.6
400.15100	0.7
403.76007	0.6
413.16794	1.0
431.11234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2146
Annotation	Asp-Leu-Val-Ser
Peak:m/z	Relative Intensity
55.02509	2.3
57.25463	2.2
59.01384	10.0
61.98830	4.9
66.03495	2.2
71.01395	6.8
71.60193	2.9
73.04058	2.0
74.02477	9.0
81.02225	3.0
82.03004	5.3
83.02510	17.4
84.00916	9.8
87.05641	3.0
88.04032	2.9
88.98804	6.1
89.02435	5.0
96.00918	18.6
98.02475	19.4
99.00904	3.1
101.02483	2.4
104.03571	4.2
108.02176	2.6
110.02469	9.8
111.76914	1.9
112.04055	8.1
113.03568	3.6
115.00406	4.7
115.08778	60.1
129.10326	8.1
130.07755	2.9
130.08746	60.1
131.04666	3.4
137.02481	3.0
138.09232	22.2
139.08743	4.2
141.10298	2.5
143.11913	2.8
151.08780	2.0
152.01157	4.2
152.07190	1.9
153.10352	2.8
154.01424	3.5
155.08263	7.9
164.09441	2.2
166.08731	5.8
169.09816	14.8
177.10271	2.9
179.11841	4.6
180.05452	4.5
181.09827	16.4
183.11436	2.7
187.10909	3.0
202.82310	3.0
205.09868	6.1
210.03680	2.4
216.31769	2.6
223.10890	10.5
241.12448	2.2
257.16266	6.3
267.09863	100.0
267.18240	8.8
268.10196	7.0
279.09857	6.5
285.19363	4.2
297.10938	56.3
298.11307	5.0
315.20142	2.7
316.18466	2.4
343.19904	5.9
352.18686	2.7
383.19370	31.5
384.19815	3.0
387.22729	5.4
395.19403	3.0
396.17892	13.9
413.20416	75.9
414.20755	11.4
431.11777	6.8
431.21155	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	431.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23798	1.0
59.01378	12.3
61.98832	33.3
67.62016	0.9
70.02981	2.6
70.53158	0.9
71.01395	5.2
71.15475	2.3
73.02934	2.3
73.04098	1.2
74.02465	3.6
75.64956	1.0
82.03001	2.3
82.06632	1.1
83.54144	1.0
84.08212	1.7
85.02959	1.4
87.05627	2.8
88.98814	4.1
89.02454	3.5
96.00914	24.2
98.02487	13.4
99.51314	0.9
101.02414	3.0
102.58264	0.9
109.04060	2.5
110.02480	21.2
111.02008	0.9
113.02443	1.6
113.03564	10.5
114.01929	1.4
115.08763	1.8
125.07174	3.0
127.05110	2.1
127.08789	1.0
128.03516	1.4
129.10368	7.3
130.08739	100.0
131.04630	6.9
131.09079	3.7
133.03049	1.1
134.03749	2.2
135.03133	0.9
141.06673	2.6
143.11935	2.0
149.06084	1.6
153.03055	2.8
155.08240	7.9
157.02945	0.9
166.00848	1.5
166.07477	5.4
167.08220	2.6
168.08936	5.0
169.09865	2.1
171.04092	1.3
177.10219	1.5
181.03346	2.2
181.13446	1.5
183.15019	18.4
185.16615	11.6
205.09760	1.2
209.12961	10.4
211.14494	4.9
229.15544	17.7
237.08643	1.7
242.18694	2.3
247.07190	1.9
251.09215	1.4
255.13437	1.2
316.18881	1.3
322.17685	5.1
344.09729	5.3
357.21423	4.3
366.16681	60.9
367.17032	7.6
378.12170	1.8
378.16653	19.7
379.16800	3.6
383.19260	10.6
387.22369	3.9
396.17709	66.9
397.18042	8.6
400.21283	1.1
413.20407	38.5
414.20828	5.5
431.20618	7.4
432.20032	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	430.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.4
58.00578	0.6
59.01379	14.7
61.98822	2.7
63.16846	0.3
69.74213	2.0
71.01385	8.4
72.99304	1.1
73.02945	1.4
73.04032	0.4
74.02486	0.7
82.02968	0.3
83.01376	0.6
85.02958	1.5
85.06947	0.3
87.00867	1.3
87.99552	0.3
88.04031	0.9
88.98784	1.5
89.02445	7.0
92.05060	50.7
93.04832	0.5
93.05391	2.2
95.01369	0.5
96.00934	0.8
99.00853	0.5
99.04507	0.8
99.92583	0.4
101.02452	7.2
101.07212	0.5
102.05644	0.5
109.01694	0.7
109.02950	0.4
113.02441	4.9
116.05024	1.0
119.03498	3.3
125.02448	0.8
127.05108	0.9
128.03537	2.6
129.03851	0.8
129.10320	0.5
130.08736	1.2
131.03578	0.9
136.04042	100.0
137.04401	4.7
141.23866	0.3
143.03500	1.0
143.04597	0.3
143.11880	0.8
144.04562	0.4
145.06142	0.5
148.04039	0.4
161.04500	1.7
172.04066	0.8
178.05153	0.9
179.05632	2.1
181.03308	0.4
190.05066	1.5
200.14047	0.5
208.06133	3.9
221.06508	0.5
271.94980	0.3
301.19727	0.4
341.10727	0.3
344.09811	0.7
349.99921	0.4
395.20313	0.4
412.22708	1.3
430.13489	6.2
430.23505	3.5
431.14212	0.7
431.23514	1.7
443.45761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.1
61.98831	41.0
62.89195	1.2
64.95251	4.6
67.73545	1.1
70.16309	4.7
70.16698	2.5
73.01174	5.1
78.95934	1.3
78.96828	1.3
79.95709	2.0
83.05030	2.9
87.00918	1.3
87.22822	1.2
88.98824	1.9
97.06528	1.3
99.00887	1.4
112.98802	1.8
125.02431	1.4
125.09776	1.9
132.97736	1.5
136.95601	1.6
142.99878	3.9
143.90173	1.6
144.99652	3.8
173.00934	5.5
174.01691	100.0
175.02028	3.5
187.09610	1.5
197.86282	1.5
242.22449	1.3
245.01222	5.1
276.58649	1.4
279.00076	10.1
321.07642	1.1
337.04584	1.2
343.48508	1.2
413.52682	1.2
435.98050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66351	2.4
59.01382	100.0
59.70993	2.4
61.98829	4.7
71.01376	26.2
73.02953	13.0
74.02479	2.9
74.08044	2.4
83.01397	8.4
85.02967	5.1
87.00877	4.5
88.98837	4.4
89.02443	15.5
101.02444	20.9
107.00548	3.1
113.02441	13.3
115.00378	4.2
119.03525	5.2
125.02442	7.7
130.08783	3.3
134.03769	12.7
143.03581	3.4
149.06085	15.3
161.04556	3.8
164.01791	3.5
165.08562	2.8
168.00621	6.1
175.02254	2.5
175.03990	2.7
202.95343	3.0
209.90501	2.6
265.94833	2.8
311.11371	16.5
329.12381	4.0
387.17758	2.5
431.11575	8.3
431.19135	5.7
431.24713	3.2
436.74756	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01709	1.1
60.47636	0.7
61.98840	2.3
63.65741	0.6
69.63445	4.6
71.01373	3.6
73.02959	1.0
85.02986	1.2
87.00881	0.9
87.05663	2.1
88.98801	4.4
89.02460	2.1
96.00932	1.4
98.20599	1.2
99.92596	2.0
101.02470	2.8
113.02504	1.3
114.41940	0.6
115.00413	0.7
115.08788	1.6
115.92096	1.9
125.81044	0.7
128.03532	1.1
129.10414	1.2
143.79091	0.7
144.07753	1.3
151.03975	0.9
151.08803	1.6
154.09843	0.8
161.02469	3.1
161.04622	1.5
165.53664	0.7
168.11436	2.2
176.04805	2.4
179.03497	4.6
182.08157	1.5
185.14503	0.7
191.07248	0.8
194.05881	6.5
205.99307	0.7
209.08200	18.1
210.08594	1.2
232.79338	0.7
239.15141	13.2
240.15428	1.3
253.16772	2.5
257.16177	13.6
271.17722	1.9
301.18811	4.1
304.28964	0.7
427.57483	0.7
431.21490	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63214	0.7
55.01869	1.0
57.03429	1.0
59.01382	100.0
60.01717	0.9
69.51093	4.5
71.01381	8.7
73.02961	1.8
74.92020	0.7
83.01402	0.8
85.02935	3.7
87.00900	1.8
89.02457	4.9
98.20617	1.5
101.02450	4.9
109.75221	0.7
113.02476	4.4
119.03485	1.6
161.04628	0.9
186.41432	0.7
207.13797	1.0
225.15031	3.8
267.28076	0.7
285.48175	0.9
350.99405	0.7
369.19165	13.5
370.19534	1.6
387.20209	14.0
388.20660	2.7
429.21585	1.7
446.88663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31518	0.6
53.72015	0.5
59.01381	100.0
60.01723	0.7
62.65508	0.5
69.56195	4.1
71.01380	1.0
73.02925	0.7
81.68784	0.5
98.19891	0.9
98.29900	0.6
101.02454	0.8
101.90646	0.6
103.40128	0.6
114.99508	0.5
146.39108	0.6
167.65306	0.6
190.67589	0.8
207.14018	1.2
231.42488	0.6
234.23482	0.6
358.60419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
58.00579	1.2
59.01381	100.0
60.01722	1.4
61.98832	6.7
64.75342	0.4
66.09587	0.4
69.52035	1.8
69.52455	1.5
71.01383	9.1
72.99313	1.5
83.01392	1.3
85.02962	1.2
87.00886	1.6
89.02444	11.9
95.01420	0.6
98.20599	0.8
101.02444	11.7
101.03072	0.6
107.37598	0.4
108.02203	0.5
113.02455	2.8
119.03502	7.5
119.04308	0.7
124.65902	0.4
131.03578	0.4
143.03532	0.5
160.03461	0.4
161.04611	1.6
165.12894	1.2
179.05617	3.5
207.13893	5.0
219.13927	0.9
221.15547	1.0
231.13950	0.6
249.15073	1.4
255.02974	0.8
279.77808	0.4
284.03360	0.6
426.43689	0.6
429.07901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2647
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
61.98827	2.4
71.05019	9.1
71.16210	1.7
71.16538	4.0
75.63409	1.9
83.05046	4.1
85.02911	2.1
97.06584	2.2
99.04500	4.8
107.04974	2.1
109.02957	7.6
111.04530	3.6
123.04498	2.3
125.06062	2.7
127.04007	7.6
149.02464	2.9
151.03998	5.7
152.04776	2.0
153.05603	2.3
164.04784	2.2
178.02718	2.5
182.54800	2.1
367.26450	2.3
368.43201	1.9
369.24295	6.2
370.24893	3.1
373.23865	6.0
383.26004	6.5
411.25409	28.2
412.25757	3.7
414.23831	2.2
429.26447	100.0
430.26779	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	54.8
60.01711	2.4
61.98832	85.8
69.37951	1.5
69.38354	5.9
71.01382	8.1
73.02955	1.5
78.95907	5.9
83.01405	1.1
85.02950	2.2
87.00887	2.8
88.98827	3.4
89.02449	3.2
93.03432	0.7
96.96947	1.8
98.84535	0.7
101.01870	0.7
101.02436	4.6
104.98418	1.8
107.05039	0.8
113.02444	2.6
118.27959	0.7
119.05029	100.0
120.05365	5.4
161.04596	1.5
161.09668	1.0
188.11633	1.0
206.12827	0.8
207.06625	2.3
208.06990	3.2
208.14417	0.7
223.13426	2.5
224.13666	4.1
267.12366	2.8
268.12653	5.2
269.13885	3.5
430.09222	1.3
430.18039	0.8
431.09460	1.2
431.19333	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81852	1.8
51.98073	2.1
58.02986	2.5
59.01379	13.7
60.34638	2.1
61.98526	2.3
61.98833	41.2
71.01382	16.5
71.60291	2.8
72.01685	2.0
73.02953	2.2
74.02471	2.3
82.02950	2.3
84.04557	4.9
85.02945	3.3
87.00877	56.1
87.05643	22.5
87.57139	2.8
88.04041	10.1
88.98774	2.5
89.02438	7.0
96.00900	2.1
99.00887	2.2
101.02426	7.8
102.05612	29.6
112.04083	2.1
113.02438	4.2
113.07240	5.0
115.00376	9.7
115.08757	4.5
116.07171	20.5
124.04020	7.2
125.03593	3.2
126.05582	4.2
128.03543	90.6
129.03903	2.7
129.06664	15.5
129.10338	4.4
131.04562	2.2
132.03021	4.9
134.03728	3.7
136.04079	2.3
140.08235	2.9
141.06685	2.3
143.11906	3.3
145.27928	2.2
145.29211	2.3
146.04613	24.0
151.08736	5.7
152.07217	2.2
155.08270	4.4
157.13455	6.3
158.09360	2.1
161.04558	2.5
168.11385	3.1
169.09834	5.2
176.01093	2.4
179.11937	2.2
186.12468	3.7
191.03552	2.5
193.05008	5.8
196.14540	4.4
199.07198	3.5
201.08815	4.3
201.12387	4.0
214.15544	10.0
226.15561	9.6
228.17113	5.2
271.86176	2.0
272.16190	4.4
283.17841	4.3
295.21457	3.5
300.15643	43.9
301.15930	3.3
314.17130	4.5
314.20813	4.5
343.20010	2.5
348.72513	2.0
385.20840	5.7
429.14996	3.8
429.19781	100.0
429.25330	5.9
430.19598	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.7
59.01379	100.0
60.01711	1.5
61.98824	7.2
63.94477	0.7
66.97218	0.6
67.32117	0.7
71.01379	9.0
72.99339	0.8
73.02945	1.0
77.46684	0.6
85.02953	2.6
87.00892	2.7
89.02445	13.7
95.01427	0.9
101.02454	6.9
102.22575	0.7
104.98385	25.0
106.97956	0.8
113.02472	5.2
119.03514	6.5
131.03453	0.7
137.09741	1.3
143.03511	0.7
161.04544	1.2
161.09746	0.7
179.05617	3.6
183.53481	0.6
187.11316	1.1
197.01347	1.5
205.12367	0.8
207.10239	0.8
223.13434	4.6
267.12457	4.3
268.13065	0.8
369.19452	1.0
387.20255	2.0
429.22067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97903	0.3
54.89929	0.4
59.01382	100.0
60.01721	1.4
69.83306	1.8
71.01382	3.8
73.02943	1.7
80.94601	0.3
83.01388	0.7
85.02973	1.7
87.00877	1.0
89.02453	1.3
90.18105	0.4
98.02489	0.4
99.00883	0.9
101.02444	2.6
113.02469	1.7
123.08179	0.5
141.05621	0.4
153.09273	0.9
161.04556	0.8
163.11371	0.5
175.02554	0.4
187.11304	0.6
189.12877	0.5
207.13927	1.4
223.13336	2.8
224.13582	0.4
248.56071	0.4
267.12399	1.8
369.19086	0.7
387.20236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55690	0.4
52.59537	0.4
59.01373	1.4
70.04053	2.0
71.01386	1.0
71.31882	0.4
87.00877	100.0
88.01228	1.6
89.02466	1.2
96.28623	0.4
101.02470	0.6
102.37634	0.4
114.15765	0.5
138.23396	0.4
143.25066	0.5
179.05594	1.4
209.12376	0.4
236.59476	0.4
341.10825	3.8
418.56378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75213	0.8
52.56199	0.7
55.01906	0.9
57.03455	1.7
59.01381	100.0
60.01720	1.4
61.98831	22.8
71.01386	10.6
73.01179	1.7
73.02947	3.1
79.95743	1.4
80.96509	1.0
83.01389	3.5
83.05034	1.1
85.02967	4.4
87.00876	17.4
89.02453	4.5
95.01376	1.2
96.96015	1.5
101.02466	7.1
103.05522	0.8
107.05067	1.0
112.98841	1.0
113.02444	7.0
116.29359	0.8
119.03522	1.6
119.05032	1.7
123.04577	1.1
127.87189	0.8
133.06625	4.1
142.64348	0.7
161.04559	2.9
163.07646	1.4
167.03572	1.1
173.00946	0.9
174.01672	2.0
175.02489	1.3
177.05605	4.1
183.08810	0.7
183.35367	0.8
187.11217	1.4
205.12341	1.3
207.06630	42.2
208.07002	3.8
223.13385	15.7
245.01318	1.4
249.07646	1.5
249.11452	0.8
261.68561	0.8
267.12399	6.3
341.10980	0.9
363.43790	0.8
369.14981	0.8
369.19180	1.4
387.20190	1.9
429.08008	0.7
429.17432	1.3
442.66794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03445	1.3
58.00591	1.8
59.01381	100.0
60.01716	1.8
61.98843	0.8
69.03463	1.1
70.74295	0.4
70.74630	0.7
71.01385	20.6
72.01726	0.4
72.99305	2.4
73.02950	13.3
81.03455	0.4
83.01383	2.9
85.02952	9.2
85.03444	0.6
86.00104	1.0
87.00883	5.6
87.04533	1.4
89.02447	15.7
90.02804	0.4
95.01401	1.1
97.02928	0.4
98.02474	0.4
98.19968	0.4
99.00892	1.7
101.02445	23.4
102.02805	0.6
103.04014	8.8
104.98368	0.3
113.02447	5.7
113.03665	0.4
114.44294	0.3
115.00370	0.3
115.04015	2.4
115.39266	0.3
119.03499	5.7
125.02474	1.2
127.04021	0.7
128.03560	1.2
130.08728	2.4
131.03500	3.9
131.04503	0.5
143.03505	4.8
143.28960	0.3
145.05086	2.0
151.11218	0.3
153.09026	0.3
161.04601	1.6
163.06122	14.3
164.06453	0.5
174.01750	0.5
175.02499	0.8
175.60936	0.4
179.05701	0.4
197.13008	0.5
205.07162	8.9
205.12363	0.6
207.13956	0.9
223.13518	1.1
225.14980	3.5
241.12027	0.8
242.12416	0.3
267.12454	0.9
283.12036	0.7
319.63834	0.3
369.19162	12.9
370.19678	1.2
387.20242	12.6
388.20453	1.8
394.19647	2.1
395.20398	0.4
402.77512	0.3
411.22684	0.6
415.03076	0.3
429.21213	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03445	1.3
58.00591	1.8
59.01381	100.0
60.01716	1.8
61.98843	0.8
69.03463	1.1
70.74295	0.4
70.74630	0.7
71.01385	20.6
72.01726	0.4
72.99305	2.4
73.02950	13.3
81.03455	0.4
83.01383	2.9
85.02952	9.2
85.03444	0.6
86.00104	1.0
87.00883	5.6
87.04533	1.4
89.02447	15.7
90.02804	0.4
95.01401	1.1
97.02928	0.4
98.02474	0.4
98.19968	0.4
99.00892	1.7
101.02445	23.4
102.02805	0.6
103.04014	8.8
104.98368	0.3
113.02447	5.7
113.03665	0.4
114.44294	0.3
115.00370	0.3
115.04015	2.4
115.39266	0.3
119.03499	5.7
125.02474	1.2
127.04021	0.7
128.03560	1.2
130.08728	2.4
131.03500	3.9
131.04503	0.5
143.03505	4.8
143.28960	0.3
145.05086	2.0
151.11218	0.3
153.09026	0.3
161.04601	1.6
163.06122	14.3
164.06453	0.5
174.01750	0.5
175.02499	0.8
175.60936	0.4
179.05701	0.4
197.13008	0.5
205.07162	8.9
205.12363	0.6
207.13956	0.9
223.13518	1.1
225.14980	3.5
241.12027	0.8
242.12416	0.3
267.12454	0.9
283.12036	0.7
319.63834	0.3
369.19162	12.9
370.19678	1.2
387.20242	12.6
388.20453	1.8
394.19647	2.1
395.20398	0.4
402.77512	0.3
411.22684	0.6
415.03076	0.3
429.21213	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	429.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03451	3.3
58.00595	0.9
59.01381	100.0
60.01706	1.4
61.98838	2.3
63.94466	2.6
63.96240	0.4
64.95251	2.0
69.03455	1.0
69.71259	2.6
70.99606	0.9
71.01385	19.7
71.05060	0.5
72.99318	0.9
73.01169	3.7
73.02947	6.2
74.46887	0.4
75.00863	1.2
75.77605	0.4
78.95904	0.5
83.01379	5.7
83.05015	1.3
85.02953	5.6
87.00882	3.4
87.04515	3.3
89.02448	14.7
89.02997	0.8
95.01400	1.5
98.19708	0.4
99.00896	1.1
99.04530	0.6
99.21018	0.4
101.02448	9.1
104.98388	82.1
105.98772	1.3
106.97977	1.2
107.05000	1.0
113.02457	9.5
115.04026	0.8
119.03500	4.9
121.02902	0.6
125.06065	0.8
129.28946	0.5
131.03496	1.5
143.03471	1.6
149.04616	0.5
151.00301	0.6
159.06612	1.0
161.04538	1.8
161.09683	0.9
161.13330	1.6
163.11276	1.0
179.05679	2.4
185.04587	0.7
187.11243	2.1
197.01334	13.3
205.12326	3.0
207.10280	4.8
208.10698	0.5
218.25278	0.5
223.13400	20.8
224.13637	2.3
227.03394	0.8
249.11325	3.5
255.02919	2.2
256.03387	0.8
267.12372	16.6
268.12607	1.2
271.02423	1.3
272.02942	0.6
283.02441	0.5
284.03204	1.1
285.04099	0.5
291.12262	0.4
300.02603	1.8
301.03125	1.1
309.13382	1.6
334.56110	0.5
340.56897	0.7
369.15314	1.2
369.19162	1.1
386.06488	0.4
387.20096	1.7
399.93903	0.4
429.02158	0.4
429.07968	1.1
429.17429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.2
59.01378	81.2
60.01720	0.9
61.98834	8.2
63.94464	2.6
64.95245	2.3
70.87737	0.6
70.99612	1.1
71.01383	10.1
72.99306	1.0
73.01157	1.5
73.02953	2.9
74.32320	0.6
75.00879	0.7
78.95904	5.4
79.95781	0.6
81.03432	0.7
83.01378	4.3
83.04997	0.9
85.02949	2.4
87.00873	5.0
89.02441	6.4
93.03506	0.7
95.01389	1.3
96.96952	1.7
97.06563	0.8
99.00851	1.1
99.04494	1.3
101.02435	6.4
104.98382	100.0
105.98724	1.3
107.05032	1.0
109.02953	0.8
113.02442	4.6
115.03991	0.8
119.03495	1.9
119.05009	1.2
125.02438	0.8
133.02956	1.7
134.03760	0.8
151.00346	2.7
161.02409	1.2
161.04628	1.2
161.09581	0.6
161.13301	0.7
163.00349	0.8
163.04088	0.7
163.11269	1.1
179.05562	1.0
187.06128	0.9
187.11273	1.8
196.99474	1.2
197.01312	15.8
198.01591	0.7
199.04149	0.8
205.12300	2.1
207.06696	3.2
207.10237	2.7
207.13916	1.9
223.13382	11.4
224.13792	1.1
227.03494	5.4
229.12262	0.8
249.11273	1.9
255.02974	10.1
256.03546	0.9
267.12375	24.3
268.12604	1.6
271.02567	0.9
283.02460	2.0
284.03287	14.7
285.04007	6.9
291.12390	0.8
297.04004	4.6
298.04755	6.9
299.05502	2.8
300.02536	1.3
301.03412	1.1
309.13489	2.3
324.02847	0.8
325.03580	2.0
326.04086	1.2
327.05069	9.0
328.05508	1.4
335.41495	0.6
337.03885	1.0
340.57089	0.8
343.04608	2.8
369.15509	1.6
382.04233	0.6
411.07281	3.2
429.08289	13.8
429.17386	1.0
430.08826	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31807	0.2
59.01378	1.5
69.47958	1.0
69.48376	1.0
71.01381	1.0
73.60752	0.2
78.14526	0.3
87.00876	100.0
87.38274	0.3
88.01220	2.0
89.02429	1.3
98.20636	0.3
101.02431	0.5
113.02459	0.4
119.03486	0.6
119.88879	0.3
124.60878	0.2
153.30052	0.3
171.41701	0.3
179.05608	0.7
226.87263	0.3
231.31918	0.3
233.07925	0.3
274.42633	0.3
341.10861	4.3
342.11047	0.5
429.12509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43894	0.6
57.03452	0.9
58.35678	0.7
59.01381	76.9
59.74153	0.7
60.01708	3.6
61.98832	100.0
62.83622	0.8
71.01380	8.7
71.60918	1.1
72.99323	0.8
73.02954	1.2
74.02501	0.7
83.01400	1.2
85.02961	2.4
87.00903	2.3
89.02457	4.5
95.01409	0.6
99.00926	1.1
101.02437	3.8
113.02440	3.5
119.03525	1.3
128.03552	0.9
130.08800	2.5
152.08412	2.4
153.09212	5.0
154.09587	3.0
157.12355	3.0
167.03557	0.8
190.01579	1.6
199.18243	0.7
203.12901	8.6
204.13341	0.9
204.76508	0.7
205.12402	1.2
206.12706	2.3
215.49403	0.7
223.13434	0.9
228.86566	0.7
306.07996	0.7
365.18164	32.1
366.18442	4.7
368.18155	2.1
369.18787	0.9
371.46677	0.7
380.23831	0.8
387.20337	1.0
411.22687	1.1
428.25052	1.2
429.23361	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	428.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63655	0.7
58.02975	2.6
59.01385	16.6
60.96721	0.6
61.98832	100.0
70.03004	0.7
71.01374	5.8
72.00915	1.4
72.99309	0.8
73.02953	1.7
74.02479	6.3
74.99146	0.7
79.93964	13.3
80.11669	0.7
82.03015	1.5
85.02968	1.7
86.02464	4.2
87.00871	4.9
87.05651	2.1
88.04060	2.7
89.02460	3.5
96.00933	1.5
97.04039	0.8
98.02504	1.5
99.05623	4.0
100.00425	1.1
101.02429	3.6
101.07227	1.0
102.05613	1.3
109.04075	0.8
113.02434	1.4
113.03609	0.8
115.00394	1.6
116.07192	0.9
119.03497	1.5
125.03600	1.0
127.05142	2.6
127.08746	1.0
128.03546	21.7
130.08751	1.9
135.05609	1.3
141.06726	1.5
142.06642	1.0
143.03517	0.7
143.04614	22.5
145.06142	1.9
146.04608	3.2
153.06696	1.1
155.08307	1.3
157.12387	3.1
160.00764	2.7
167.04700	1.2
171.07816	4.3
173.01071	0.8
174.01688	1.2
179.04564	5.8
185.05687	2.2
197.05757	1.1
199.07234	2.2
203.12892	9.6
210.08899	4.4
217.08400	1.2
218.05489	0.7
244.09462	2.6
254.07829	7.7
272.08871	24.1
273.09338	3.3
288.06677	2.2
305.08646	2.7
306.07632	22.1
307.08051	1.6
314.20706	0.8
328.10034	1.3
346.10715	7.0
365.18130	29.2
366.11905	1.3
366.18460	4.2
385.24988	0.8
394.19794	1.3
396.12225	0.7
411.22598	1.5
428.06171	3.4
428.25427	1.5
429.23584	5.6
439.25351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	3.2
59.01385	12.8
60.05637	0.7
61.98831	100.0
65.24199	0.7
71.01372	6.9
72.00921	2.6
73.01182	1.5
73.04074	1.1
74.02470	11.7
75.02751	0.8
79.93964	26.3
83.01382	0.8
85.02925	1.3
86.02480	8.1
87.00888	4.4
87.05650	3.5
88.04054	4.8
89.01968	0.6
89.02422	4.0
96.00906	1.3
97.04073	1.3
98.02480	0.8
99.00888	0.9
99.05647	8.2
100.00417	1.3
100.19517	0.7
101.02453	3.8
101.07223	1.6
102.05622	1.0
109.02946	1.2
109.07775	0.9
113.02457	1.6
113.07220	0.8
114.05645	0.8
115.00423	1.1
115.05105	0.7
119.03522	1.2
124.04043	0.9
125.03596	0.8
127.05154	3.3
127.08829	0.8
128.03543	36.0
129.10384	1.5
130.05122	0.9
130.08708	3.7
131.04584	1.2
135.05647	1.4
141.06712	1.6
142.06586	4.3
143.04623	36.2
144.04953	1.3
145.06175	3.8
146.04604	3.4
149.02417	1.5
152.01170	1.1
153.06717	2.0
155.08218	1.5
157.12320	1.8
159.50575	0.7
160.00764	4.9
163.04037	0.7
164.04761	0.8
166.08675	0.8
166.09875	1.7
167.03458	1.4
167.04684	1.8
167.08286	1.2
171.07764	7.4
174.01678	0.9
177.03346	1.8
179.04597	7.2
181.06209	1.5
185.05649	5.0
186.05664	1.2
197.05759	1.0
199.07266	3.8
201.05368	0.8
203.12881	4.9
204.06764	1.6
208.03691	1.1
210.08902	7.4
217.08292	1.0
218.05412	0.9
223.06146	2.0
224.06430	1.5
244.09421	3.0
254.07809	12.8
255.08141	1.6
272.08871	38.4
273.09418	3.3
281.11401	1.3
288.06662	2.8
305.08759	5.4
306.07657	39.5
307.07919	3.2
328.09775	1.0
334.20132	0.8
346.10779	12.9
347.11124	1.7
365.18161	20.9
366.12027	8.2
366.18738	1.2
378.07965	0.9
379.10718	1.5
394.19885	3.7
411.22488	2.6
428.05981	5.0
428.11139	0.9
428.19788	0.9
428.25351	3.3
429.23367	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	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67960	1.6
54.99628	1.7
59.01380	100.0
59.09110	1.9
61.98804	2.3
70.01526	8.5
79.95744	3.5
94.02051	1.7
103.45453	2.0
106.46729	1.7
106.99987	2.3
174.51770	2.1
202.00203	2.1
276.95984	1.8
293.21194	3.9
419.74805	2.0
422.67810	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94972	0.9
58.49403	1.0
59.01381	100.0
60.01723	2.0
61.98818	2.4
63.63510	1.0
70.67242	2.9
78.95914	2.1
79.95728	1.4
80.16796	1.0
80.47521	1.1
91.04057	1.8
98.20329	1.4
125.76925	1.2
128.66891	1.0
227.33990	1.1
235.17096	1.6
275.20294	2.6
293.21207	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.74226	1.3
60.74527	1.3
61.98817	3.2
69.49963	4.5
69.50392	5.8
91.04047	1.5
92.50645	1.4
98.20103	5.3
98.20674	1.4
273.17984	1.4
275.20190	2.8
293.21243	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	427.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23711	12.8
59.01370	40.8
61.98837	37.1
69.59591	11.2
69.59953	100.0
79.95736	20.7
98.20598	32.3
99.92612	21.1
118.97177	14.1
120.04630	16.1
130.52464	16.0
131.31725	13.4
135.60323	18.2
159.59767	14.9
202.00600	14.9
231.45847	15.4
379.26633	17.6
428.21213	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	428.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51542	1.1
53.40671	1.2
59.01376	11.9
61.98835	5.2
63.94447	2.6
63.96228	4.0
64.95242	1.7
70.42102	4.2
70.99608	32.0
71.01386	1.9
73.01170	83.4
74.01518	2.1
76.97038	2.3
79.93965	12.5
79.95737	4.4
81.47352	1.2
87.00878	2.2
94.96313	28.6
104.98386	100.0
105.98771	1.3
134.99437	21.7
137.00966	8.7
137.03075	7.9
152.05392	56.3
152.06625	2.9
153.05623	1.3
168.98203	19.2
183.14627	1.1
184.02559	16.0
228.07326	1.2
270.10959	1.2
427.75845	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	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09055	1.0
55.01879	0.9
57.03444	1.6
59.01382	100.0
59.74614	0.9
61.98822	2.0
69.55278	4.9
71.01386	17.5
73.02953	14.9
76.59815	1.0
83.01395	3.7
85.02946	4.6
87.00851	1.0
89.02448	4.6
92.32295	1.0
95.01423	1.1
97.02955	3.0
99.00883	1.9
101.02435	12.6
113.02452	7.4
113.06140	1.5
119.03507	1.8
123.08137	1.4
125.06065	1.5
136.05309	1.6
138.06876	7.3
139.07626	3.3
140.97746	1.0
143.03476	1.2
151.07646	7.1
152.08423	18.2
153.09224	53.4
154.09505	3.2
157.78519	1.0
161.04547	3.6
165.09055	1.2
167.03510	1.1
174.01700	2.6
175.02528	1.6
190.09958	1.1
205.12314	19.7
205.95154	1.1
223.13458	6.3
337.56866	0.9
367.17682	4.8
427.19614	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03449	1.8
58.00612	1.4
59.01381	100.0
60.01712	1.3
61.98798	0.6
69.03455	1.5
70.73632	0.5
70.73959	0.9
71.01386	36.2
72.99329	1.4
73.01175	0.7
73.02949	43.1
74.03303	0.7
75.00874	0.7
77.71917	0.5
81.03477	0.9
83.01393	13.2
85.02956	7.3
87.00897	1.9
89.02447	14.3
95.01404	1.6
97.02953	1.2
99.00893	1.0
99.04509	0.5
101.02444	35.6
101.58692	0.4
102.02818	1.1
104.37769	0.5
106.13966	0.5
110.02557	0.7
113.02453	15.8
114.05598	0.9
119.03518	6.0
123.08187	2.0
125.02445	1.5
125.91935	0.5
128.03552	0.8
131.03531	3.0
132.28818	0.5
135.08221	1.1
143.03505	3.2
143.04576	1.1
147.08211	1.8
149.04565	2.7
153.09213	8.8
153.10428	0.6
154.09634	0.7
155.03537	1.1
160.01675	0.6
161.04564	10.7
162.04948	0.6
163.11206	0.5
165.09238	1.1
167.62212	0.4
177.12785	0.5
179.05647	2.7
187.11320	1.6
190.09953	0.6
203.05571	0.7
203.10828	0.7
205.12338	11.9
205.14247	0.6
206.12746	0.9
221.06798	0.7
223.13332	3.5
272.08749	0.9
289.46750	0.5
300.02713	0.5
306.07632	0.8
323.87238	0.5
367.17630	3.9
385.18564	7.0
386.19119	0.7
427.19772	4.5
451.54346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.62556	3.8
61.98819	9.7
70.16772	15.5
71.01357	5.4
73.01152	8.4
74.41200	3.9
78.95882	5.5
78.96803	4.5
79.95749	6.1
85.02961	6.1
89.37585	3.6
99.00877	7.0
104.98357	13.4
112.98846	23.9
142.99840	17.9
173.00929	54.1
174.01662	3.8
217.01666	13.6
247.02821	9.8
337.35333	4.4
396.53381	4.3
427.25003	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	427.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68403	1.5
53.72009	1.5
55.01876	3.5
57.03444	2.4
58.00587	1.6
58.02988	1.5
59.01383	39.3
61.98829	15.5
67.73963	1.4
69.03464	2.2
69.74521	2.8
69.74937	6.1
71.01385	44.3
72.01719	1.8
72.99314	4.3
73.02940	6.2
74.02469	1.6
75.00880	34.0
79.93954	2.0
83.01391	31.8
85.02956	10.1
87.00874	20.6
88.00408	23.2
88.04045	1.8
89.02453	20.2
95.01405	3.5
96.00934	3.9
97.02959	3.6
99.00862	3.1
101.02453	22.8
108.02180	7.3
109.02946	1.7
110.00082	1.7
111.00880	3.1
113.02451	10.8
114.05620	4.4
115.00349	2.4
119.01387	1.6
119.03503	6.1
119.05035	22.8
121.90881	1.7
123.04579	7.6
124.01656	2.1
125.02409	3.5
128.03516	3.5
129.01958	18.6
130.08762	2.3
131.03551	2.2
132.02139	3.9
134.03735	7.6
135.04515	4.0
137.02426	2.3
140.72737	1.5
141.01949	2.5
143.03569	1.8
143.04672	2.6
145.02945	3.3
147.00891	2.2
147.04530	4.0
148.05321	56.7
149.02484	11.6
149.06114	12.1
150.05563	1.4
159.03026	1.6
159.04494	6.2
160.01669	18.6
160.05293	6.1
161.02437	3.3
161.04662	2.9
161.07274	3.6
162.03249	1.5
163.04018	36.5
163.06268	3.0
163.07658	63.0
164.04797	10.0
164.07939	4.4
173.02406	3.6
174.03212	3.5
175.00430	8.9
175.04012	34.5
175.07504	1.6
176.04836	8.0
177.05576	4.4
178.06369	14.1
179.07082	5.5
187.04013	6.1
188.04791	43.7
189.01964	1.6
189.05328	5.4
190.02727	25.7
191.03282	3.5
191.07108	5.2
193.05058	4.2
193.08679	5.4
196.65031	1.7
203.03455	2.9
203.07126	15.8
204.04224	5.6
205.05043	41.2
205.12323	1.7
206.05817	16.0
207.06255	1.3
219.05110	6.0
219.06906	2.2
221.08192	58.9
222.08527	4.7
223.06145	19.0
223.09756	1.8
232.03670	8.9
235.06134	3.1
235.11899	4.1
246.05305	1.6
247.06134	34.1
248.06508	3.0
261.07797	1.8
264.06409	3.6
265.07190	13.0
266.74695	1.5
267.08737	2.8
272.08780	2.7
291.88177	1.4
295.12979	4.5
303.07236	36.6
303.10504	2.9
304.07367	1.5
306.07831	2.8
337.09360	3.9
381.17761	4.9
383.13446	37.2
384.13983	4.6
415.71078	1.5
427.12473	100.0
427.21606	2.6
428.12762	16.2
428.25058	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	427.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80125	0.5
57.01495	0.5
59.01402	0.9
61.98813	1.2
62.21760	0.4
66.08871	0.5
66.14928	0.5
69.67597	1.8
69.68024	1.8
71.01363	0.5
73.01176	100.0
74.01144	0.7
74.01512	1.9
78.48347	0.6
78.95913	0.7
87.00871	1.0
134.04736	0.8
143.04643	0.6
160.04382	21.6
161.04724	1.0
177.03380	2.0
221.08331	1.1
231.64684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
57.03452	2.1
59.01382	68.5
59.68192	1.4
60.32005	1.4
61.98835	14.0
62.47066	1.4
69.26449	16.6
69.32072	1.5
71.01376	30.9
72.99313	3.2
73.02944	14.8
75.00885	4.0
83.01407	9.8
85.02950	18.7
87.00878	5.1
89.02444	6.7
90.79356	1.6
99.00883	7.2
101.02442	35.9
108.02158	4.4
113.02458	14.7
119.03503	2.0
123.04564	2.2
125.02411	3.2
127.05183	2.2
128.03528	3.4
145.03017	2.8
148.05310	4.0
149.06091	4.4
159.02992	2.9
160.01683	2.1
161.04541	12.9
163.03979	2.7
163.06279	1.7
163.07611	3.7
177.03368	3.1
188.04825	11.9
203.07106	11.3
206.05856	9.4
221.08192	24.0
221.10310	81.9
222.08644	2.0
222.10670	4.4
312.19247	1.6
313.47885	1.6
353.86929	1.6
367.16061	100.0
368.16388	10.3
428.25275	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	426.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	6.6
59.01381	4.5
61.98834	28.9
62.97233	1.2
64.95262	6.8
70.03001	2.8
71.01382	3.8
71.60698	1.9
72.00913	10.2
73.01191	1.9
74.02477	18.9
75.73538	1.2
78.95903	2.3
82.02986	2.4
84.04581	1.6
85.02959	2.1
86.02484	20.7
86.06115	1.4
87.00887	1.4
87.05641	2.5
88.04034	7.0
89.00677	2.5
89.02461	1.9
96.96015	2.2
97.04079	1.9
98.02482	1.5
99.05656	14.5
99.92597	1.2
100.00406	5.6
101.02445	2.0
101.07216	2.0
102.05611	2.1
109.04066	2.5
112.04015	1.8
113.02457	1.9
114.19711	1.2
115.05148	2.5
119.05058	3.5
120.97083	1.7
120.97887	22.2
120.98683	2.5
124.04018	2.2
125.03558	3.7
127.05151	5.2
127.08784	4.9
128.03540	81.4
129.03906	1.8
130.05148	3.1
130.08765	1.8
135.05655	2.7
137.07176	2.0
143.04630	61.9
144.04984	2.1
145.06223	6.9
146.04561	6.8
153.06694	4.8
155.08263	3.8
157.06149	2.4
163.04057	2.5
167.04681	2.5
167.08215	3.0
171.04102	2.3
171.07767	31.4
172.08189	1.8
179.04625	13.6
181.06192	4.3
185.05690	12.6
192.07816	1.8
197.05722	2.1
199.07214	16.3
201.05177	4.2
203.06671	1.7
210.08826	12.4
217.08356	6.9
218.05466	3.1
244.09344	18.1
254.07828	32.2
272.08871	100.0
273.09357	11.2
305.08643	16.6
306.08972	1.8
312.15704	2.6
376.06738	1.7
394.07257	10.2
395.07770	1.9
397.51413	1.4
426.09976	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	426.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	8.5
59.01374	13.7
61.98832	41.3
64.95254	11.0
68.95651	1.9
70.02966	3.0
70.99626	1.9
71.01376	14.1
71.60868	2.2
72.00910	9.7
72.99323	3.8
73.02936	2.0
73.51939	1.9
74.02479	21.6
75.00865	8.3
77.85636	1.7
78.95892	4.8
79.31639	1.9
85.02947	6.3
86.02487	20.7
87.00867	4.2
87.05645	2.7
88.04039	5.0
89.00658	3.7
89.02475	3.5
93.03496	1.9
96.00903	1.9
97.04097	2.0
99.05638	17.6
100.00404	5.8
101.02427	6.3
109.04089	3.1
112.04034	4.0
113.02448	4.9
113.03535	2.1
115.00343	1.9
119.04997	2.9
120.97882	30.9
123.05566	2.7
125.03558	2.7
127.05130	6.4
127.08770	5.0
128.03543	76.7
130.05072	3.6
131.12878	1.9
132.02127	3.5
134.03728	3.9
134.04681	2.5
135.04572	2.1
135.05618	3.1
141.06731	3.6
143.03525	3.9
143.04619	69.7
143.05734	3.7
144.04982	2.8
145.06149	6.7
146.04626	10.3
153.06718	4.5
155.08221	3.7
157.01247	1.9
160.01703	16.0
163.07704	2.4
166.09824	2.9
167.08119	2.1
171.07762	25.0
175.02579	2.6
175.03986	19.3
179.04634	12.6
181.06177	5.4
183.04128	2.1
185.05658	9.4
193.05023	4.4
199.07263	12.2
200.07417	2.0
201.05147	3.9
210.08836	19.3
211.09138	2.5
217.08408	4.7
218.05435	2.4
235.04599	3.5
244.09392	12.9
254.07831	35.2
255.08035	3.5
272.08865	100.0
273.09216	8.9
305.08707	10.8
306.08209	2.9
313.18826	2.3
345.44296	1.9
346.08923	1.8
376.06427	2.5
394.07498	10.8
395.07684	2.1
427.11652	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	426.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92147	1.3
58.02972	9.6
59.01377	1.6
63.94487	1.3
71.01345	1.6
72.00893	3.0
73.01177	6.1
74.02471	30.3
78.96808	10.6
82.02985	1.5
85.04088	1.7
86.02495	12.2
87.05621	5.3
88.04042	1.8
89.25529	1.2
90.00220	1.6
97.04057	3.4
98.20608	3.7
99.05636	24.3
101.07208	3.4
102.05597	3.0
104.98390	12.2
109.04034	3.9
109.07706	1.5
111.05627	1.8
112.04038	3.4
113.03566	2.2
114.03814	1.8
123.05615	1.8
124.04077	1.8
125.03560	2.7
127.05119	4.7
128.03540	78.9
129.03893	2.5
135.05611	4.6
137.07179	2.2
141.06720	3.9
143.04617	100.0
144.04971	3.0
145.06207	4.3
146.02856	1.3
146.04614	12.3
153.06680	5.7
155.08205	1.5
160.00745	11.0
166.09816	3.7
167.04570	4.2
167.08269	3.9
171.07753	4.2
176.55896	1.3
177.03372	3.9
179.04601	20.5
181.06163	3.8
184.10873	1.6
185.05637	4.7
192.07692	1.3
197.05650	3.4
199.07085	1.8
210.08826	21.9
228.09875	2.9
254.07803	34.3
255.08200	1.5
264.37466	1.4
272.08868	62.9
273.09198	5.5
288.06534	12.2
306.07639	43.9
307.07867	3.6
360.06570	1.6
378.07831	6.4
408.07013	1.8
426.08286	20.8
427.08456	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	84.6
61.98832	28.6
71.01357	16.1
71.61497	24.1
74.02486	23.3
78.95938	18.3
79.95745	35.1
86.02457	24.4
89.02473	14.5
94.40205	11.7
95.21094	13.7
99.05659	19.6
101.02426	16.0
114.65909	12.8
128.03528	100.0
143.04604	92.3
171.07848	15.4
174.01634	18.8
181.16708	12.4
254.07756	23.8
272.08868	73.0
304.06024	15.7
306.07748	79.8
348.74176	12.9
378.08115	17.1
423.18216	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73697	0.9
54.03739	1.1
57.03449	100.0
58.03787	2.3
59.01380	78.3
67.13663	1.2
69.32875	3.2
69.33300	7.7
71.01387	8.3
73.02942	2.5
74.02480	2.2
74.41855	1.1
81.03475	2.5
82.50063	1.1
83.01372	1.5
85.02954	4.1
95.82327	1.3
99.00894	1.9
99.04523	80.7
100.04852	1.8
101.02445	22.9
101.24537	1.0
102.96843	1.8
113.02441	3.4
117.19675	1.1
125.02450	29.0
126.02827	1.2
128.03542	3.5
143.03487	2.4
143.04634	2.9
161.04509	3.2
219.03752	1.1
272.08893	3.0
279.14523	11.3
306.07486	1.2
321.15253	1.1
407.50092	1.1
423.18430	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18606	0.4
65.11686	0.3
70.18604	1.6
76.88896	0.4
78.95904	11.8
110.98537	9.2
137.00082	0.4
152.99553	0.9
162.31766	0.4
167.01147	10.4
177.48352	0.4
185.02191	2.4
197.82703	0.4
255.23302	100.0
256.23639	11.8
290.66199	0.4
423.25183	18.4
424.25525	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	424.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33306	1.4
56.32888	1.3
59.01375	4.1
60.57060	1.3
61.98830	11.3
63.96241	7.0
68.29395	1.5
70.99604	23.6
71.62173	2.8
73.01173	100.0
75.00734	1.9
76.97033	2.9
79.95727	5.8
80.96533	1.6
89.00677	2.9
112.98824	2.9
125.03071	7.6
126.03437	2.7
127.02589	1.6
137.03033	4.3
152.05396	23.0
158.13197	1.6
163.02591	9.2
174.01662	3.0
225.06969	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	424.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
62.96394	0.3
64.95251	0.5
69.11760	0.3
70.74078	0.9
78.95908	18.1
122.00146	0.7
140.01170	4.3
152.99580	1.3
165.23000	0.3
167.06535	0.3
196.03793	8.7
214.04836	1.6
227.20171	100.0
228.20480	8.6
229.14511	0.7
255.25822	0.3
272.18875	0.4
424.24701	19.9
425.25143	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	425.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43753	1.2
59.01360	1.9
61.98828	1.4
67.05540	2.5
71.05026	11.0
71.17164	2.3
78.95903	17.7
79.95734	1.0
81.03458	1.1
96.96967	2.8
99.92645	1.1
114.09232	2.5
130.08742	18.8
152.99596	37.7
153.98004	0.9
171.00620	2.1
180.90631	1.0
186.15004	6.1
190.96121	1.1
230.13966	100.0
231.14368	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	423.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
59.01392	10.4
59.69407	1.8
61.98836	11.0
66.91515	1.7
66.94036	1.7
71.01385	11.4
71.60187	2.3
71.60554	2.2
72.99308	2.2
73.01967	1.9
73.02947	1.7
74.00684	2.9
78.95918	5.0
79.95749	1.9
80.91692	8.6
82.73270	1.9
83.01369	2.4
85.02954	3.5
85.04079	17.8
86.02480	6.3
87.00870	3.9
89.02449	5.8
96.00968	1.9
96.96947	5.7
98.54086	2.3
99.00890	15.6
99.92566	3.6
100.00419	4.3
101.02430	4.1
102.00214	11.9
111.00865	5.4
112.98814	56.5
113.02477	1.9
115.00351	3.0
115.92061	3.6
116.92883	1.8
119.03518	2.4
119.05040	1.9
129.01868	2.1
135.04515	3.3
138.89876	1.9
142.99870	32.9
143.48709	1.9
145.01419	4.3
163.04008	3.0
168.99596	2.8
173.00912	66.7
174.01649	11.1
175.01833	100.0
176.02139	3.5
181.05025	8.5
243.03636	2.5
245.01176	2.9
247.02806	7.4
261.00757	2.7
280.71494	2.3
341.10843	3.4
350.95105	1.9
361.05899	2.8
386.35577	1.5
388.11163	2.1
423.05707	27.5
424.06427	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	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	12.0
59.01381	100.0
61.98837	21.8
66.25859	10.0
69.30527	55.0
69.30962	61.0
71.01384	35.8
72.99311	19.8
75.00887	73.4
85.02989	16.9
87.00871	18.1
89.02442	34.2
96.95992	15.3
98.20595	20.5
99.00911	19.9
101.02414	24.7
115.00404	13.6
120.01232	18.8
125.02396	12.8
125.99477	11.2
135.02992	86.1
149.02380	14.4
159.02910	17.1
175.02412	23.1
190.02655	38.1
205.05064	53.2
210.02277	15.6
211.02751	13.2
270.04361	14.6
271.04956	13.2
332.04312	37.4
333.04727	20.9
371.24863	13.4
385.11349	18.1
423.18137	99.7
423.26071	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65019	49.6
58.86872	52.6
59.01384	88.7
79.37667	39.9
89.02461	58.9
101.02468	63.7
129.07011	44.9
152.58125	52.5
229.15553	44.8
284.82907	51.1
423.18100	100.0
424.18439	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43708	17.3
59.01380	41.3
69.80798	100.0
87.34946	18.9
129.77103	19.3
394.22330	21.0
423.17838	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81224	0.6
57.24145	0.6
57.97561	0.9
59.01374	2.3
60.97524	2.1
61.98837	1.6
63.96240	9.8
70.77152	0.6
70.90939	0.9
70.91267	1.2
70.99608	28.9
71.01392	0.8
71.81282	0.7
73.01172	100.0
74.01527	1.4
76.97028	4.8
78.98584	5.5
79.95734	5.8
80.96554	1.5
81.61794	0.7
89.00670	15.1
89.02433	0.9
91.46461	0.6
96.99900	0.7
99.00857	1.0
112.98844	1.0
125.03077	2.4
127.02238	0.7
129.03831	0.9
137.03046	7.2
142.99945	1.4
146.08191	0.7
152.05397	63.7
153.05663	2.7
156.99130	0.8
161.00978	5.5
173.00943	1.6
174.01741	4.9
197.84296	0.8
225.06851	0.8
282.07370	0.6
289.90045	0.7
290.68564	0.6
297.46033	0.7
417.80292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97549	1.2
59.01379	1.9
60.97530	2.2
61.98819	2.2
63.96240	11.3
65.60544	1.1
70.99612	24.5
71.17599	1.3
73.01173	100.0
74.01508	1.2
76.97038	5.9
78.68056	1.0
78.95915	3.2
78.98581	5.4
79.95751	5.2
89.00668	17.1
90.37963	1.0
96.96972	4.6
111.61516	1.1
123.79594	1.0
127.02209	1.3
137.03043	6.2
142.99899	1.5
152.05397	56.7
153.05746	2.0
161.01003	5.6
174.01721	4.1
175.02574	1.2
445.57251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45621	3.1
52.12855	2.6
54.52781	2.6
58.72035	2.9
59.01379	26.5
61.98829	19.2
71.01387	22.8
72.99282	2.8
73.01171	5.9
74.02489	5.3
78.95920	5.1
80.91679	6.8
83.01409	4.1
85.02952	5.0
85.04085	17.9
86.02473	6.5
89.02441	9.5
90.41693	2.5
96.96934	3.6
98.20654	6.3
99.00893	20.0
99.92591	8.3
100.00409	6.9
101.02455	4.7
102.00198	17.1
109.02961	3.1
111.00860	5.2
112.98808	67.2
113.02441	4.9
115.00375	4.0
115.92085	35.0
116.92847	7.1
128.03537	8.5
129.03871	3.5
131.12302	2.7
131.74168	2.6
142.99873	47.4
145.01424	4.9
146.04623	4.7
168.99644	4.6
173.00926	89.9
174.01651	9.1
175.01825	100.0
176.02136	3.1
247.02815	7.8
248.03645	3.1
286.04639	2.7
341.10956	5.2
361.06046	13.6
362.06250	3.8
423.05530	9.1
423.15070	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	421.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
61.98832	100.0
70.02832	0.9
70.29404	1.8
70.29808	2.8
71.01385	3.7
79.95733	1.0
85.02956	1.5
92.26987	0.8
113.02482	1.9
216.33347	1.2
277.21814	7.2
287.25690	0.9
305.93558	1.1
312.44907	1.0
362.23557	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	421.9714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12304	0.8
59.01394	1.7
61.98831	100.0
63.94462	1.7
69.67123	5.2
72.59917	0.9
73.01183	0.9
78.95905	0.7
78.96809	2.0
79.95737	1.0
87.48759	0.7
88.41055	0.7
93.33645	0.9
93.53804	0.8
96.86323	0.9
96.96043	1.2
98.37029	0.8
142.91209	3.4
152.05383	0.8
174.01677	3.6
385.75027	0.8
423.20343	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	422.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.2
57.97553	4.2
59.01384	30.1
60.97512	1.9
61.56653	1.6
61.98833	20.5
64.96129	1.7
70.02972	2.9
70.99608	11.4
71.01388	18.4
71.05018	3.6
71.60576	2.3
72.99305	9.2
73.01166	2.1
73.02933	1.9
75.00880	49.8
79.95732	4.9
81.03455	1.6
82.02937	1.9
84.04566	1.9
85.02918	2.1
87.00883	7.0
89.00681	15.5
89.02453	16.8
94.02994	8.0
96.00923	2.2
97.02936	1.9
99.00892	26.3
99.04513	4.5
101.02456	9.5
108.04563	2.6
110.00693	6.2
111.01072	1.8
112.00401	2.7
113.00672	4.5
113.02442	4.9
114.03822	6.9
115.00374	9.9
115.92072	1.8
116.92870	5.2
117.01961	2.4
117.92879	5.9
119.03533	3.1
120.01258	7.0
121.03017	1.8
122.06180	2.6
124.02300	2.3
124.04015	6.0
125.00682	1.9
125.02428	3.2
126.03851	3.5
127.05189	2.1
128.03520	2.3
129.00145	2.8
130.08736	6.7
135.03006	100.0
136.04065	12.9
138.03798	3.4
139.01027	2.0
140.01736	2.3
141.00102	3.6
142.99864	7.4
145.02960	5.3
149.02397	2.6
150.01924	1.9
150.05573	4.3
152.01768	12.0
153.02548	9.3
154.03313	8.5
156.04919	2.3
159.03006	9.7
161.04535	1.9
164.04768	2.9
166.03300	6.7
168.01291	3.6
170.02835	16.3
173.00853	3.1
174.01648	3.7
175.00409	2.9
175.02484	25.6
176.03477	2.2
180.01259	26.3
180.02869	2.7
182.02776	9.2
184.04346	2.7
190.02721	9.4
194.02824	1.9
196.00754	8.5
197.01500	2.0
197.13170	1.9
198.02211	2.5
205.05064	15.9
206.05315	4.8
210.02296	31.6
211.03099	15.1
212.00293	1.7
223.06143	7.1
223.32138	1.7
224.00111	2.4
224.06552	2.1
225.11105	2.2
228.03358	8.6
232.13454	1.6
239.48746	1.8
240.04042	1.8
241.04977	1.8
243.12393	2.8
251.67659	1.9
254.01254	9.3
254.06674	2.0
257.08133	2.6
270.04437	12.0
271.05219	9.8
272.02341	8.1
283.06113	3.6
288.05499	21.4
289.05716	2.7
291.10001	1.9
301.07153	4.0
314.03461	6.5
332.04480	59.7
333.04770	6.9
385.11377	3.5
386.11765	4.7
404.18219	6.9
422.05240	2.8
422.16071	4.0
422.19620	5.3
423.18433	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56954	2.3
59.01380	94.7
61.98825	4.4
71.61332	2.3
71.61694	2.0
73.01170	100.0
73.64336	1.8
79.95733	6.0
80.96519	5.1
101.00629	2.5
108.97684	2.2
164.14784	1.9
323.78436	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	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50477	5.8
57.03436	10.4
59.01379	57.2
61.50325	6.3
61.98811	17.9
69.68481	25.4
71.01377	18.5
73.02953	8.3
77.04652	5.4
79.95721	6.8
80.91689	6.0
89.02406	7.2
94.11376	7.3
99.04527	11.1
101.02433	6.8
113.02476	6.3
114.72247	6.2
115.76128	5.4
128.42551	5.8
130.03336	7.9
153.58731	6.1
168.59349	6.6
174.01697	18.4
179.61563	6.4
183.97037	6.2
281.15881	6.9
346.55383	5.5
421.16321	100.0
421.21210	3.7
421.24875	7.0
422.16626	8.0
427.28903	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	421.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	5.5
57.03695	1.0
58.02987	2.2
59.01379	15.6
61.98829	9.4
70.02969	9.1
71.01385	4.1
71.05025	12.2
72.00906	1.2
73.02942	0.9
73.04078	1.5
74.02491	2.8
79.71822	1.1
79.95718	1.0
85.02957	2.3
87.05649	7.7
89.02447	3.4
99.04524	7.6
101.02448	3.2
113.02444	1.9
115.05164	1.2
116.07175	2.7
116.80345	1.1
117.86921	1.1
124.04058	1.2
125.02472	1.9
129.05640	1.4
129.08080	1.1
130.03316	10.3
130.08723	2.5
146.08232	83.5
147.06015	2.6
147.08589	2.6
149.02454	2.5
161.04509	1.1
164.04716	1.6
167.57454	1.0
175.00369	4.4
181.57260	0.9
190.02708	15.5
191.03203	1.3
205.05063	21.9
206.05383	1.3
217.11917	18.6
218.12164	1.6
223.06012	5.1
247.06084	2.1
265.07172	1.1
277.12268	100.0
278.12582	9.6
377.18201	7.3
378.18484	1.0
385.11307	8.4
386.11938	1.0
404.18457	2.1
421.16260	1.6
421.21185	2.0
422.19241	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	421.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21922	0.8
57.02801	1.0
59.01381	100.0
60.01710	1.2
61.98816	2.0
63.05436	1.0
71.01385	3.1
71.16798	1.2
79.95756	1.1
81.97039	1.0
85.02952	1.5
89.02418	1.6
96.96065	1.1
98.20009	1.2
101.02456	3.2
113.02445	5.2
119.03509	1.3
147.77290	0.9
161.04552	1.9
199.17033	72.8
200.17358	5.7
213.18593	1.9
241.18126	1.9
314.46545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.9557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	15.4
59.97374	2.0
60.20050	2.3
61.98832	100.0
66.94823	2.9
70.72536	4.7
71.01389	2.1
84.89394	2.8
95.59998	2.2
98.92007	3.3
112.93608	3.1
116.80900	2.1
125.03017	9.6
126.03325	2.4
127.02599	3.9
173.00940	3.8
211.06631	3.2
217.01833	3.1
255.05672	4.2
258.45859	2.7
330.31900	2.4
359.28354	2.2
377.34778	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	420.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18283	1.7
59.01386	11.2
61.98835	100.0
64.25889	2.3
69.52570	7.7
69.52998	6.7
71.01374	3.1
79.95719	3.5
85.02979	3.2
89.02440	2.4
96.96022	5.3
98.20689	3.4
99.94975	2.0
101.02415	3.0
104.98376	2.5
113.02493	3.0
139.75545	1.8
201.80707	2.0
223.13356	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	420.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89497	0.8
53.30520	0.7
61.62621	0.8
63.96249	0.9
70.47937	2.8
70.99605	16.1
74.00716	1.2
76.97030	1.4
86.99082	0.8
89.00671	100.0
90.01033	1.0
96.96980	1.8
98.20671	0.9
110.02441	1.1
121.93035	0.7
122.00181	0.7
134.99976	3.9
136.37436	0.7
160.13649	0.9
165.25372	0.8
176.03860	41.1
177.02232	1.8
177.04143	1.7
178.21713	0.7
243.06221	3.6
243.68671	0.8
292.35959	0.8
325.57535	0.8
350.55209	0.8
442.61752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72338	0.3
57.03447	0.6
59.01380	4.9
59.85762	0.3
61.98832	100.0
69.80036	1.9
71.01388	1.6
73.02949	0.6
79.95747	0.6
85.02953	0.6
89.02439	0.9
99.04526	0.8
101.02453	1.0
113.02424	0.8
116.07227	0.4
125.02470	0.6
147.42627	0.3
161.12109	0.3
320.97766	0.4
377.18021	1.7
420.09406	0.6
420.22577	0.8
421.16064	0.6
421.20749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	11.8
59.01376	2.3
61.98830	3.4
64.95252	0.8
70.45568	1.7
71.01386	0.8
72.00909	5.5
73.01173	3.9
73.04071	9.2
74.02477	1.2
80.96541	0.7
82.06619	0.8
83.01400	0.7
83.02514	0.6
83.05050	0.6
83.05569	0.5
85.02941	0.8
91.05523	4.3
94.96341	0.7
97.04070	1.3
98.02492	4.9
100.87775	0.6
101.02415	0.6
104.98392	1.1
108.08190	1.7
109.12630	0.6
112.07669	0.9
115.05145	4.6
117.03478	1.5
117.14127	0.5
118.06638	1.1
119.05006	1.1
126.09206	0.8
129.10353	15.8
139.08736	0.7
141.10306	2.0
142.99944	1.3
143.04626	1.1
143.11884	1.1
145.02937	2.9
147.04533	17.4
148.04895	0.6
151.08752	2.0
152.07170	8.7
153.05379	0.7
153.07487	0.6
155.08192	1.7
164.07169	43.1
165.07542	2.6
168.11421	14.6
169.09813	2.2
169.11861	0.7
177.03401	4.1
186.12479	32.1
187.12776	1.7
196.09781	1.4
210.12483	22.9
211.10861	4.0
211.12650	1.0
213.09210	0.9
214.09550	1.3
227.03532	1.9
228.13493	3.2
233.16611	10.5
234.16924	1.1
242.12027	0.6
255.03015	2.5
256.03525	0.6
259.14349	0.5
268.57834	0.5
277.15585	4.9
278.15796	0.6
284.03305	2.0
290.18741	10.1
291.19324	1.0
332.19757	5.2
376.18765	100.0
377.19125	13.4
377.23630	1.1
398.09222	2.0
398.59772	1.2
402.20279	1.2
420.13840	2.6
420.21399	16.0
421.21732	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	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58794	2.0
59.01380	100.0
61.98828	9.1
62.30370	1.9
69.34126	19.3
71.01378	25.2
79.95736	3.2
85.02932	4.3
87.00877	2.5
89.02439	28.9
101.01871	2.1
101.02435	14.4
102.60046	2.0
113.02443	8.9
119.03472	11.5
136.97324	3.0
143.03528	2.8
155.10779	7.2
161.04562	4.6
179.05623	4.6
179.10751	32.4
181.01308	2.3
195.67159	2.1
197.11856	15.3
199.42667	2.0
209.70462	1.9
303.16129	2.2
419.21472	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2288
Annotation	Staphylionoside I
Peak:m/z	Relative Intensity
51.55812	0.7
55.01863	0.8
57.03445	11.1
58.00582	2.2
59.01381	79.0
60.01694	1.2
61.98822	1.7
67.87523	0.6
69.78174	3.9
71.01383	34.9
72.01695	0.7
72.99287	2.4
73.02921	1.1
79.95680	0.8
83.01400	1.6
83.05038	1.0
85.02952	5.2
85.06595	1.0
87.00864	1.0
89.02444	31.7
95.01391	1.7
96.96008	1.1
97.02927	0.7
99.00843	0.8
101.02444	16.7
113.02454	8.7
115.04004	9.4
119.03510	13.3
131.03526	1.0
143.03481	1.5
149.04565	0.9
151.40038	0.7
161.04564	1.1
167.14412	4.2
171.00870	0.6
173.00896	1.5
177.16534	0.9
179.05591	3.0
179.14407	0.8
195.17543	1.6
216.16148	0.6
221.15379	3.2
239.16519	100.0
240.16864	8.5
257.17554	1.4
267.91284	0.6
418.66980	0.8
419.22858	52.7
420.23233	8.6
429.72940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01381	100.0
60.01707	1.6
60.54202	0.4
61.98846	3.1
64.58418	0.5
64.70255	0.5
69.67020	1.4
69.67435	1.6
71.01385	9.8
72.99280	0.8
73.02958	2.0
83.01389	0.7
85.02956	3.0
87.00878	0.8
89.02453	9.3
99.00902	1.1
99.04515	0.5
101.02453	7.5
111.73696	0.7
113.02460	5.3
119.03484	3.6
136.31395	0.5
136.97163	0.5
143.03569	1.0
161.04570	9.2
178.92918	0.5
179.05606	1.6
319.12177	0.5
323.79523	0.5
331.69971	0.5
359.17105	17.0
360.17624	2.3
419.19177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	2.3
59.01381	34.5
61.98831	100.0
67.73062	1.0
68.05044	1.1
69.63309	1.1
69.90902	4.7
71.01401	7.5
73.23214	1.2
79.95766	1.5
83.70296	1.2
85.02955	2.3
89.02460	3.3
101.02444	3.3
107.61733	1.2
113.02428	2.3
118.08114	1.1
119.03477	1.4
122.36098	1.4
132.61334	1.1
161.04550	4.2
161.76860	1.1
165.01949	1.8
175.03873	1.3
241.07364	2.5
268.50128	1.4
299.10321	1.2
323.44205	1.2
359.16971	5.6
419.15128	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	419.1346
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
50.62059	0.3
55.01867	0.6
57.03452	1.0
59.01377	5.0
61.98817	1.0
69.50242	1.4
69.50677	1.4
70.70192	0.4
71.01383	4.7
73.02948	1.4
73.43963	0.4
79.95731	0.4
81.03456	0.8
83.01402	1.0
85.02939	2.6
87.79691	0.3
89.02448	1.9
93.03456	3.9
93.92574	0.4
95.01389	0.6
99.00891	1.2
101.02443	2.9
101.57044	0.3
106.04250	9.5
107.05038	24.8
108.02180	3.3
108.05373	1.2
109.02954	0.4
111.04518	0.5
113.02440	1.7
119.03508	0.7
119.05030	1.8
120.27483	0.3
121.02934	3.4
138.03252	0.9
150.03236	0.7
161.10754	0.4
171.08136	0.8
171.94356	0.4
182.02264	0.8
205.03557	0.4
211.07628	10.5
212.07954	1.3
213.09207	66.5
214.09549	6.6
248.79358	0.4
257.08197	8.2
258.08575	1.0
299.09332	0.6
419.13470	100.0
420.13797	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	419.156
Annotation	Lamioside
Peak:m/z	Relative Intensity
51.24225	2.6
55.01863	3.0
55.68381	2.6
57.03441	4.1
58.00591	3.7
59.01381	100.0
60.11355	2.6
61.98838	15.9
71.01385	28.2
72.99316	3.8
73.02955	5.0
73.70629	2.7
77.23796	2.5
78.95911	3.0
80.96520	3.5
85.02952	9.2
87.00898	6.5
89.02445	30.8
96.96024	3.0
97.28272	2.6
101.02435	21.6
106.52336	2.6
113.02437	16.9
117.44490	2.7
119.03512	13.1
133.10269	3.9
135.04521	3.6
135.38432	2.8
137.02428	3.1
143.04657	2.8
149.02419	2.7
160.01646	4.9
161.04578	7.3
164.04778	5.1
175.03983	5.0
177.09123	3.8
178.26878	2.6
179.05733	5.6
179.07060	15.9
182.05782	6.0
197.08150	13.2
204.52092	2.5
213.11307	3.8
239.09277	11.8
257.10352	13.9
359.13394	7.9
382.31741	2.8
419.19547	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16669	0.5
55.01870	0.9
57.03449	1.5
59.01382	39.4
61.98833	100.0
71.01386	24.7
72.01708	0.7
72.99310	1.2
73.02950	7.1
73.04076	0.8
75.00896	1.8
79.95752	0.6
80.96550	0.5
83.00980	0.5
83.01382	3.0
85.02958	10.9
85.03451	0.8
87.00903	1.4
87.05659	0.8
88.55152	0.4
89.02447	3.2
90.61160	0.4
90.77995	0.4
95.01413	1.8
97.02229	0.4
97.02957	1.5
97.04189	0.5
98.20609	2.1
99.00883	3.7
101.02449	14.9
111.08175	1.5
113.02454	10.8
115.05174	1.1
119.03493	0.9
121.02953	3.4
125.02473	0.6
130.08745	2.2
135.04581	0.8
139.07663	14.9
139.08710	1.0
140.08014	0.7
143.03537	1.9
143.11937	0.5
157.13449	0.6
159.03018	3.6
160.01672	0.9
161.04567	32.0
162.04951	0.8
175.02512	0.8
175.04036	1.3
193.05026	0.5
193.12383	0.7
195.06734	0.8
195.10248	2.6
201.12450	0.5
205.03436	0.7
237.11433	0.8
357.15442	8.5
357.19098	0.6
358.16196	1.5
387.18588	0.8
387.22781	0.5
417.17569	3.3
417.22232	0.6
417.23761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21822	1.3
59.01379	100.0
59.58982	1.4
61.98819	3.5
64.23785	1.7
70.36271	1.5
70.93500	4.0
73.01164	10.9
76.73896	1.4
83.05032	1.6
99.64335	1.6
104.98387	1.6
105.03802	3.1
111.08126	1.6
111.11984	1.7
120.83533	1.6
125.09687	4.0
135.04515	7.7
173.08176	2.8
183.13933	2.1
187.09772	3.3
307.95172	1.6
418.62289	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	418.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39144	0.7
58.97380	0.7
59.01384	1.6
61.98831	100.0
64.95258	1.4
70.45690	0.8
71.61249	1.2
79.95757	0.9
96.96004	1.1
138.97200	1.0
153.71767	0.8
167.69646	0.7
269.02634	2.1
377.42984	0.8
385.09012	0.7
399.25729	0.7
412.35873	0.8
430.15201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
61.98830	100.0
67.46097	0.9
69.28117	3.0
69.28544	5.3
71.01388	2.0
76.96333	0.8
80.70314	0.9
85.02962	1.2
101.02415	1.8
113.02432	0.9
134.76524	0.8
136.79233	0.8
149.92220	0.9
161.04520	1.1
175.03951	0.9
184.11151	0.9
293.28217	0.7
329.56161	0.9
342.98904	0.9
364.20258	0.8
367.57343	0.8
370.21210	0.9
408.71066	0.9
418.18317	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	417.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66026	5.9
54.47576	5.0
58.02958	5.2
58.26868	5.5
59.01383	100.0
61.98830	11.3
64.95247	24.8
71.01389	58.5
71.61154	5.7
72.00865	4.8
72.99301	7.1
73.01198	8.6
73.02949	9.4
74.02470	10.5
75.00867	13.8
78.96819	17.1
79.73933	4.6
79.95744	6.9
83.05125	5.4
85.02956	32.7
86.02474	9.0
87.00886	5.4
87.04560	5.9
89.02450	44.0
99.05633	14.2
101.00694	16.6
101.02470	36.0
110.94032	21.2
113.02436	21.5
119.03506	16.9
128.03560	38.0
129.03839	7.6
142.99944	5.3
143.04591	43.2
161.04510	10.6
166.32300	5.4
173.50581	4.9
174.01660	28.3
207.98500	6.4
210.08646	6.2
217.01755	65.5
227.08315	9.9
239.04558	6.3
255.07799	5.5
267.07715	7.6
272.08856	15.1
273.08990	5.7
279.00281	12.1
306.07742	26.8
307.07944	8.7
341.11041	7.3
373.14017	12.7
375.20477	6.5
417.12878	44.9
417.25058	12.5
418.13135	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25145	0.9
52.16539	0.9
52.79174	0.8
55.01874	1.3
57.03445	1.7
59.01381	100.0
61.98832	23.8
64.95233	1.2
71.01382	26.6
71.60863	1.5
73.02947	7.3
75.00870	2.4
75.45996	0.8
78.98587	2.1
79.95743	4.1
83.01385	3.8
85.02950	11.3
87.00854	2.0
87.04521	1.0
87.20187	0.7
89.02435	4.6
91.12482	0.8
93.05261	1.0
95.01376	2.5
99.00874	4.0
101.02452	15.4
107.01531	0.8
108.51240	0.9
113.02452	11.0
116.07183	1.0
125.02434	1.4
128.03519	2.0
133.02986	0.8
134.03720	4.0
143.03511	1.4
149.02386	0.9
152.96896	2.3
159.03004	2.6
161.04562	34.1
162.04868	1.3
164.04764	2.1
165.09174	3.9
193.05070	2.1
195.10104	1.0
205.03452	1.1
223.05991	1.0
289.12195	1.0
297.04239	1.0
299.05695	1.0
327.05255	2.6
357.06003	3.4
357.15601	15.4
358.15802	3.0
373.13052	1.0
417.08182	1.9
417.17175	1.8
417.21805	1.5
418.16681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.9812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.11099	3.1
61.98826	4.4
63.94469	17.7
64.95248	47.7
65.26762	3.1
70.03733	18.0
70.99611	5.1
71.95644	3.5
73.01180	12.1
78.96812	13.4
85.02965	6.4
95.91677	6.5
96.92461	63.3
99.00917	5.8
101.00677	22.7
107.09129	3.6
110.94031	48.4
111.00806	4.0
112.98815	22.7
120.90763	3.3
121.02959	14.2
125.03037	26.5
142.91214	10.9
142.99867	12.6
165.01897	6.7
167.04337	3.2
173.00928	52.0
174.01634	8.1
198.64909	3.5
217.01753	54.6
218.02072	3.6
245.01248	20.0
247.02792	39.7
255.05661	8.0
282.93338	3.2
310.97107	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	417.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.5
60.01687	2.4
61.98826	10.5
71.01377	4.4
73.02929	3.1
75.00899	4.5
81.18125	2.5
83.01405	3.1
89.00669	2.5
89.02436	2.7
101.02439	4.8
119.05021	18.5
121.02954	100.0
122.03317	5.5
151.00377	2.7
163.04036	14.7
171.10193	2.4
209.04436	14.7
245.01245	2.6
249.04338	5.5
251.58028	2.7
277.03711	4.2
285.07611	8.4
329.06696	10.3
417.08295	58.7
418.08664	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	78.9
61.98837	41.6
64.95251	55.9
71.01392	19.9
71.61374	9.7
75.00874	21.7
78.96807	52.8
85.02946	8.2
88.00936	8.4
88.77103	7.4
89.02439	14.4
92.54494	7.1
101.02450	16.2
110.94022	100.0
128.03525	13.1
146.08072	6.4
156.80244	8.3
157.92628	6.6
174.01711	8.0
256.86432	7.2
306.07596	10.4
306.24268	7.6
328.99548	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	416.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90072	4.0
55.01884	5.0
59.01379	87.5
61.98822	19.3
69.03452	18.4
71.01382	49.2
71.05630	4.5
72.99304	14.2
73.02945	7.8
75.00874	14.8
81.97293	4.1
83.01388	12.7
85.02948	19.7
87.00874	43.0
89.02436	14.0
94.06670	4.7
96.95985	5.9
99.00879	45.3
101.02470	8.1
103.01955	3.9
108.02144	5.8
108.08206	10.5
111.00883	12.7
113.02459	13.3
113.99564	31.7
115.00376	72.4
117.01952	15.5
119.05020	5.0
120.08195	17.2
129.01921	13.7
130.08722	5.2
134.09718	11.7
135.03021	10.7
138.01970	59.0
139.00356	8.9
146.09767	7.0
147.03014	8.1
148.07706	11.8
155.71452	4.0
156.00612	18.1
157.01465	20.3
160.07669	38.2
161.04510	9.8
162.09239	29.5
164.10811	10.3
165.80804	4.4
174.01695	35.8
174.09262	9.1
175.02489	83.2
176.10750	29.7
178.08698	8.3
188.10864	4.8
190.08723	100.0
191.09094	7.4
192.06647	17.5
192.10254	19.6
204.10356	8.8
208.09798	49.2
214.76160	4.8
216.10271	6.6
218.08205	8.9
220.09729	4.5
228.10239	6.8
234.07674	16.6
236.09247	14.7
246.11481	7.1
248.09273	35.7
290.10382	10.6
292.08237	16.9
308.11319	17.7
330.07993	9.2
334.09363	10.7
352.10376	49.4
353.10776	7.4
416.20370	4.0
416.71237	4.9
417.17868	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	416.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53112	1.0
56.32113	0.8
59.01373	7.5
61.98832	3.6
70.99615	9.5
75.00857	1.8
85.89639	0.8
89.00668	24.7
93.03443	6.5
93.03965	1.1
98.19856	2.4
101.02436	1.5
106.04232	12.0
107.85895	0.8
108.02190	8.5
117.40159	0.8
118.06596	2.8
119.05036	6.2
121.02968	0.8
128.03539	1.3
132.08197	10.2
138.03195	2.6
144.08167	5.1
145.08423	0.8
152.91696	0.9
158.06088	4.4
160.07748	1.0
164.07220	1.6
176.07158	2.4
195.94646	0.9
208.07693	2.6
209.08173	1.0
212.38785	1.0
222.09203	1.6
236.10786	14.0
237.11111	1.2
238.12354	57.5
239.12683	7.8
252.10408	1.3
257.12927	0.9
275.14151	0.9
282.11346	100.0
283.11707	11.0
306.07660	2.0
311.10312	2.4
381.23062	0.9
416.11630	2.9
417.53619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47612	0.3
55.01879	0.4
57.03451	0.6
58.00600	0.9
59.01382	100.0
60.01712	1.4
61.98835	0.7
64.19343	0.2
67.10446	0.3
69.03482	0.3
71.01386	17.5
71.05042	0.3
71.10590	0.6
72.01755	0.3
72.99317	1.4
73.02950	3.7
75.00867	0.5
83.01398	2.0
84.74075	0.2
85.02956	5.9
85.03445	0.4
87.00887	0.9
89.02448	13.2
95.00879	0.3
95.01388	1.5
97.02944	0.3
99.00894	1.0
101.02450	12.6
105.01954	0.3
112.40609	0.2
113.02452	8.1
114.02747	0.4
119.03510	5.1
119.04315	0.5
119.81338	0.3
125.02426	0.5
129.01947	0.3
129.47038	0.3
129.71251	0.3
131.03560	0.6
137.09726	0.7
141.01030	0.3
143.03531	1.0
159.02982	0.6
161.04567	4.6
165.48921	0.3
177.32132	0.3
179.05634	0.8
211.17105	1.5
261.10440	0.3
291.02930	0.3
355.21268	2.7
373.22308	25.6
374.22647	3.0
415.23334	2.9
416.23706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99490	5.2
59.01382	100.0
69.40225	51.3
93.03420	5.2
101.26751	6.1
140.40997	5.7
166.28001	5.8
189.52094	6.3
233.53174	6.0
415.15585	8.1
416.16159	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	416.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.4
61.98830	100.0
64.95251	3.6
66.94847	4.8
70.16784	1.9
70.35620	6.3
73.01187	3.0
85.02949	2.2
92.59232	2.0
101.00704	2.5
106.98748	2.2
125.09712	2.5
152.10632	2.1
171.10298	5.2
181.85019	2.1
217.01733	4.5
218.02075	8.5
219.01357	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	416.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
61.98833	100.0
69.72788	0.6
69.73200	2.0
71.01427	0.5
73.01185	2.2
77.46638	0.4
78.95921	0.5
79.66471	0.5
136.95602	1.1
153.54958	0.4
160.90234	0.5
181.68959	0.5
196.49123	0.4
224.50665	0.5
254.47214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.2
61.98830	100.0
69.50286	3.4
69.50706	0.9
71.01395	2.8
73.02953	0.6
85.02989	0.8
89.02422	1.0
95.93464	0.5
101.02444	2.1
104.38533	0.5
113.02454	0.9
138.98935	2.3
227.08270	0.9
241.09770	0.7
267.07977	0.6
281.09326	0.9
287.10315	1.0
309.08920	1.8
341.11398	1.8
415.19791	2.2
416.19901	2.6
417.13138	3.7
417.20090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66154	0.9
51.35798	0.8
52.98502	0.9
53.87672	0.7
59.01360	1.2
66.18148	0.7
70.84980	1.6
70.85317	1.6
74.99086	6.5
77.00663	75.6
78.00970	1.0
87.45432	1.0
104.01817	0.8
147.08112	1.5
149.09747	1.2
152.34267	0.9
156.09283	0.8
161.09685	1.6
163.11252	1.5
187.11273	1.9
235.74403	0.9
280.14755	1.2
309.22156	2.4
309.47989	0.8
337.21719	100.0
338.22012	16.2
415.23099	14.0
416.23483	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.8
57.03450	5.8
58.00599	3.3
59.01379	47.9
60.01693	0.6
61.98826	1.2
66.67201	0.4
68.99823	0.8
69.03455	2.9
69.48234	3.1
70.02938	0.4
71.01384	87.0
72.01719	1.5
72.99318	4.0
73.02949	38.3
73.37978	0.4
74.03284	0.5
75.00856	1.9
81.03457	1.2
83.01388	25.5
83.02473	0.8
83.05011	0.5
84.00912	0.7
84.01709	0.7
84.02167	0.9
85.02953	46.0
86.00103	1.3
86.03294	1.4
87.00882	3.7
88.04048	0.5
89.02447	9.4
93.03474	0.5
95.01392	6.9
96.00958	0.5
97.02962	4.3
98.02485	1.2
99.00883	13.4
99.04527	0.9
101.02444	81.3
102.02790	1.9
103.04008	6.4
107.05021	0.8
109.02982	0.8
111.00879	1.1
113.02451	31.0
114.02761	0.7
115.04025	1.2
119.03490	2.7
125.02456	7.2
127.04027	1.5
128.03587	0.6
129.01973	1.6
129.10365	4.0
130.08760	4.2
131.03482	0.9
131.05032	0.5
137.02484	0.5
138.09222	0.8
143.03493	6.2
145.05112	2.1
152.01155	0.8
159.02991	7.6
161.04555	58.6
162.04921	2.3
163.06100	3.2
169.09846	0.6
205.03502	2.2
205.07166	0.5
207.10327	0.5
216.63997	0.5
229.07172	2.7
241.12120	0.5
247.08211	3.9
251.09035	0.6
253.10934	0.7
267.09851	8.0
269.10291	100.0
270.10632	8.6
307.10159	0.6
313.09454	0.5
371.22891	1.0
380.18234	1.1
397.20905	5.5
415.16141	33.7
415.21716	1.9
416.16461	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	415.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99091	1.0
54.25954	1.0
59.01387	15.8
61.98832	11.2
69.03445	1.9
70.02976	5.9
71.01388	11.7
71.02465	0.9
71.05031	1.0
72.00891	2.7
72.99284	1.2
73.02936	2.2
74.02476	57.4
75.00863	1.3
81.02212	1.7
82.02967	2.7
83.01371	1.9
85.02934	3.1
87.00882	8.9
87.05637	6.8
88.04053	2.2
89.02415	3.6
94.06627	1.2
95.02505	2.5
96.00915	27.5
97.02927	1.1
98.02476	16.0
99.00864	2.4
101.02429	3.4
107.07691	1.0
108.02181	14.3
109.01732	7.6
109.02953	10.0
110.02451	3.3
111.00906	4.8
111.01968	2.1
112.02782	5.0
113.02393	3.6
113.03577	12.4
114.01948	1.9
115.00361	13.5
116.07148	1.2
117.01960	1.3
120.08163	1.2
121.02969	5.1
123.04462	1.9
125.02427	1.8
127.05133	13.9
128.03526	1.8
129.10333	6.2
130.08743	12.2
131.04610	9.4
134.03857	1.1
138.05603	1.1
138.09221	3.8
139.00320	2.8
139.08760	6.8
140.07155	4.7
141.10281	1.4
143.11917	11.2
145.06172	1.6
148.07671	1.4
149.09680	3.5
152.01143	18.1
152.07173	1.0
153.01953	14.4
153.10312	1.4
155.08295	2.3
157.01402	2.9
160.07661	2.4
161.04570	1.4
162.09192	3.2
165.10329	2.0
166.07472	1.4
166.08733	10.0
167.03528	7.9
168.04234	3.9
168.09042	2.9
169.05046	1.9
169.09848	6.9
174.01643	3.9
175.02507	18.4
176.10759	3.3
183.11325	2.4
183.14986	1.3
184.07185	1.0
185.09392	1.0
186.12468	4.9
187.10889	13.9
190.08740	5.4
192.06627	2.1
193.05016	2.7
193.08661	2.5
195.15056	1.1
209.09230	3.9
210.07700	2.5
213.08791	1.5
221.16554	1.4
225.16083	12.1
227.14032	7.6
236.09143	1.5
256.20209	3.8
267.09744	2.6
267.18347	1.2
281.19904	1.9
285.19519	1.0
289.61127	1.0
292.20221	1.5
299.20786	1.4
299.44086	1.0
300.19220	3.0
304.61703	2.2
305.11713	2.0
308.11380	1.7
322.07300	1.1
336.19348	7.2
340.25299	1.0
352.10324	4.0
357.08090	1.3
369.67148	3.8
370.17252	1.4
371.22641	2.0
380.18262	100.0
381.18494	13.6
397.20871	23.1
398.19733	3.7
415.12518	18.0
415.21848	35.6
416.12253	1.8
416.21899	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	415.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
57.03432	2.7
57.62775	1.9
58.00583	5.8
59.01378	96.7
60.01713	2.2
68.99820	1.6
69.03447	2.3
71.01381	70.9
71.93915	1.4
72.99304	7.6
73.01231	1.4
73.02944	10.0
81.03462	2.4
83.01390	5.7
85.02959	16.0
86.41179	1.6
87.00880	13.0
87.04491	1.7
89.02446	94.1
90.81050	1.4
95.01407	4.0
97.02928	9.7
98.20750	2.4
99.00864	4.4
101.02444	69.5
102.02788	1.6
103.62015	1.6
109.30724	1.5
113.02441	23.6
115.04031	1.6
119.03491	25.6
121.02955	2.3
125.02447	11.0
131.03464	4.0
143.03488	10.5
149.04564	2.3
161.04547	10.9
173.00938	3.4
179.05611	27.3
185.04453	1.9
189.48332	1.5
217.07434	1.6
221.06656	6.5
230.33777	2.6
235.08162	10.9
253.09207	7.1
263.07675	5.2
287.07547	1.9
305.08673	2.3
415.14545	100.0
416.14981	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	415.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90015	0.9
55.01869	2.7
57.03453	2.1
58.00601	4.5
59.01381	100.0
59.48828	1.0
59.70070	0.9
60.01696	1.0
66.51760	1.0
69.03442	3.3
71.01384	83.0
72.01720	1.0
72.99306	7.9
73.02947	9.7
75.00856	2.0
76.49991	0.9
81.03455	3.7
83.01379	8.0
85.02956	17.0
87.00874	15.3
89.02446	96.3
90.02789	1.6
91.04006	1.1
95.01373	4.2
97.02950	9.5
99.00876	4.9
99.04565	1.3
101.02445	68.9
102.02024	1.0
102.02752	1.7
103.00354	1.5
113.02447	27.9
119.03506	29.7
125.02449	15.5
131.03490	3.7
138.74251	1.2
139.03951	1.0
141.01871	1.4
143.03500	12.0
149.04521	3.8
161.04547	12.6
167.03424	1.1
179.04094	1.5
179.05611	26.7
180.05893	1.5
180.33023	1.0
185.04567	1.0
221.06674	7.0
235.08223	13.5
236.08672	1.2
253.09256	9.9
263.07700	5.4
287.07785	2.0
305.08740	1.8
376.41113	1.1
381.58945	0.9
415.14545	92.9
416.14948	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	414.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	24.3
60.01733	2.3
61.98830	100.0
65.94047	3.7
66.94805	2.5
70.84907	5.3
71.01392	2.3
79.95744	2.5
90.00847	2.3
101.00652	5.5
106.97958	4.9
120.01208	3.4
121.02940	7.3
139.00591	12.6
140.00897	4.3
141.00182	2.8
143.04652	3.3
144.66420	2.4
154.04730	2.6
257.85382	2.4
349.72641	2.4
357.06165	5.3
375.71243	2.2
402.43326	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	414.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70493	6.6
59.01380	85.9
60.01711	8.6
61.98829	100.0
63.94420	6.6
64.95247	8.1
66.94816	14.1
71.01385	9.2
71.61418	7.9
77.19741	4.3
79.95745	6.9
90.80194	5.6
104.98379	6.9
106.97975	13.5
121.02944	99.6
137.01031	6.2
139.00612	31.7
140.00914	11.6
164.16942	4.7
176.11917	5.8
181.06564	12.7
199.97006	6.6
225.05617	5.7
279.40158	5.0
288.72653	5.3
313.07043	7.4
357.06158	76.8
415.06573	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	414.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66268	0.5
59.01381	8.2
61.98834	100.0
71.01374	1.3
71.17106	1.2
73.02966	0.7
74.02497	0.6
79.95723	0.7
85.78311	0.5
85.95380	0.5
87.00880	3.7
88.00417	1.1
88.04051	2.3
89.00700	0.4
89.02444	3.9
101.02460	0.6
106.34642	0.4
120.97953	0.5
143.04677	1.0
165.37944	0.5
177.03410	2.5
211.13551	0.8
372.26831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41351	0.8
59.01385	7.4
59.09475	0.9
59.87428	0.9
61.98837	4.9
71.01380	6.1
71.11492	1.8
72.99310	5.2
73.02943	2.3
78.95898	2.1
79.38364	1.1
82.93285	0.9
87.00864	4.2
89.00652	6.7
89.02437	3.6
96.00926	1.2
96.96010	1.9
96.96941	1.6
98.02505	1.1
101.02422	3.2
113.02437	2.5
119.03480	1.5
128.03532	3.0
130.08743	100.0
131.08202	1.8
131.09068	4.6
133.05028	0.9
143.03481	1.2
143.04514	1.3
145.89699	0.9
161.02534	1.0
172.75648	0.9
173.10484	1.2
176.03804	2.4
179.05589	1.0
179.07077	1.9
180.06595	3.3
188.07762	2.2
196.24641	1.0
203.74864	0.9
207.08606	1.1
214.05602	1.0
253.07088	2.8
272.09814	3.1
299.14566	2.4
301.16220	3.7
414.24561	56.5
415.14291	3.8
415.24796	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	5.6
59.01381	100.0
63.88147	2.5
69.66759	15.1
69.67165	6.5
146.13362	2.9
168.56863	2.8
184.00529	2.8
270.33597	4.4
365.41293	2.9
437.32162	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83464	3.2
59.01092	6.4
59.01382	100.0
61.77414	3.6
66.73467	4.1
70.74031	11.5
81.94279	3.2
82.53519	3.3
120.92128	4.0
140.27357	3.8
265.25037	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	413.9991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68206	3.6
59.01392	20.1
60.01700	5.3
61.98834	100.0
64.95258	3.6
65.36905	3.1
70.43616	7.9
73.01166	5.0
91.65747	3.7
98.19987	4.7
135.71376	3.5
170.39963	3.2
174.01683	22.1
175.01956	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	414.0171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60856	0.9
59.98106	0.8
60.80096	0.8
61.98833	100.0
69.41013	5.1
69.41421	2.0
74.12289	0.8
79.44708	0.7
100.58114	0.9
102.40661	0.7
128.03569	1.2
136.97386	3.8
180.71814	0.9
285.18201	0.8
315.94870	0.8
345.77158	0.8
349.98047	0.7
414.22296	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	414.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63448	2.1
54.18774	1.8
55.87323	2.7
57.61703	1.8
59.01089	3.4
59.01378	51.8
60.01687	2.3
61.98834	100.0
63.99235	2.5
70.76829	3.3
70.77172	3.3
71.01376	4.2
73.01157	3.9
79.95760	2.9
89.02448	2.5
101.02412	2.6
103.35559	2.5
106.97903	2.2
168.86203	2.6
174.21939	2.2
217.01738	2.9
218.02036	3.9
220.02052	1.9
249.07532	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50273	1.0
59.01384	100.0
60.01726	1.2
63.39767	1.0
70.37887	1.7
71.01411	4.6
73.02956	1.3
77.22906	0.9
83.01410	1.1
85.02965	1.6
89.02463	1.1
101.02412	2.4
113.02446	2.8
161.04491	1.5
207.88168	0.9
353.19727	1.2
371.20685	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	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.1
59.01379	100.0
60.01722	1.6
71.01381	7.6
73.02959	2.4
76.91209	0.5
79.41827	0.5
83.01402	1.8
85.02948	4.8
87.08907	0.5
89.02466	2.0
95.01405	0.5
99.00889	0.9
101.02448	6.7
111.84620	0.5
113.02441	3.6
133.43411	0.4
157.43427	0.5
161.04556	3.2
209.15550	1.3
229.61586	0.5
353.19797	1.9
371.20670	11.2
372.21274	1.6
413.21872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01720	1.4
61.98837	3.0
67.51117	0.5
69.59797	3.2
71.01395	3.1
71.01766	0.4
73.02972	0.9
79.95741	0.5
85.02968	1.5
87.00887	0.5
89.02442	0.8
98.19855	0.6
99.00860	0.6
101.02460	1.9
113.02482	1.6
130.08780	0.6
141.47279	0.4
143.04637	0.8
156.84619	0.5
161.04584	0.8
255.03117	0.8
271.02631	0.9
300.02826	1.9
336.32394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2697
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
51.86287	0.9
55.01876	1.2
59.01380	1.4
72.58974	1.0
79.01893	2.6
80.85340	1.2
85.06585	6.3
97.02965	1.6
107.05040	1.2
109.06615	8.7
111.04518	5.8
121.46776	1.0
135.04543	3.7
142.94832	1.3
152.04755	1.1
153.05579	22.9
166.04448	0.9
179.03510	3.0
180.04198	2.5
194.05858	1.9
195.02872	1.0
325.66022	1.1
367.63605	1.1
369.28003	12.5
370.28528	1.6
413.26981	100.0
414.27292	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58864	0.6
54.29811	0.7
54.65617	0.6
59.01381	100.0
60.01719	1.3
61.98837	8.4
69.26494	0.5
70.85901	0.6
71.01383	1.7
72.99270	0.7
73.01178	0.7
73.02959	1.7
74.02457	1.0
74.54317	0.6
79.95741	3.9
80.96516	1.0
81.95344	0.9
82.08353	0.6
85.02937	0.9
87.00846	1.5
89.02465	1.5
91.87380	0.7
97.70539	0.6
98.19913	1.5
101.02450	2.4
113.02470	2.5
113.55379	0.7
128.03490	0.8
140.62872	0.8
143.04617	1.2
161.04559	0.7
214.71443	0.6
255.03067	0.9
267.11676	0.7
300.02917	1.3
306.07947	0.8
307.07971	1.3
310.10995	2.7
325.06802	0.7
370.13046	1.9
413.22513	0.9
414.11993	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	413.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53939	1.6
57.03437	1.9
59.01382	8.2
61.98817	5.9
69.49704	8.4
69.50102	4.0
71.01365	2.8
79.23878	1.6
80.02676	3.4
83.01395	9.7
85.02957	8.3
97.02927	2.5
102.91264	1.5
108.02177	95.8
109.02480	2.9
110.18387	1.5
110.89378	1.8
111.00132	3.5
111.00874	33.9
123.04526	100.0
124.04888	4.6
131.08237	5.9
132.08636	1.6
133.06573	4.3
133.75789	1.7
143.23257	1.7
167.03494	65.3
181.05009	2.0
218.90005	1.6
219.53659	1.9
238.72552	1.9
244.95009	1.7
412.32266	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03185	6.2
57.03452	100.0
59.01381	96.0
59.32533	3.4
65.74509	3.0
69.54506	6.3
69.54906	21.6
71.01382	11.4
73.02930	3.8
85.02952	5.0
89.00610	3.3
95.66993	3.2
99.04521	90.2
101.02444	25.0
105.83051	3.1
113.02438	7.7
125.02449	33.0
135.94504	2.9
160.01614	5.9
175.03963	6.0
195.51634	3.4
264.91895	3.4
269.10284	12.3
284.03012	4.5
313.51575	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	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01722	1.7
60.89825	0.5
61.98829	9.2
65.70686	0.6
68.78108	0.6
69.60962	2.8
69.61375	1.2
70.60826	0.6
71.01383	4.5
73.02956	1.5
73.04081	2.5
78.65332	0.5
79.95745	1.2
80.96535	0.6
83.01373	0.8
85.02965	1.7
86.21917	0.6
89.01940	0.6
89.02447	3.4
89.85310	0.5
95.01432	0.7
101.02454	2.8
109.02959	0.6
113.02457	2.6
119.03510	0.9
126.09283	1.1
129.10368	9.7
130.08749	16.3
139.08771	1.2
141.10374	0.9
143.11897	11.5
152.07211	2.0
153.65079	0.5
154.40976	0.6
161.04565	0.8
169.09868	1.9
175.01767	0.6
175.04007	0.7
187.10876	2.9
194.52599	0.6
199.18187	1.2
199.25273	0.6
210.91154	0.7
225.16069	1.0
255.02975	1.6
256.20300	6.3
267.62976	0.6
284.03275	1.2
361.73895	0.6
369.28763	1.8
413.10043	0.9
413.23468	1.2
413.27716	33.3
414.08786	1.0
414.28064	3.6
421.51865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36458	2.0
53.19307	1.9
54.16952	1.7
56.97293	1.7
57.03442	2.7
58.02989	3.0
59.01382	100.0
61.98835	19.9
63.96233	7.3
64.97027	5.6
66.94840	2.7
71.01373	12.3
73.01199	2.1
73.02953	4.3
73.04083	2.5
74.02472	3.1
75.02743	4.7
79.95737	2.4
83.01387	4.0
85.02941	8.1
86.02492	4.0
87.05615	1.9
87.31710	1.9
89.00682	2.2
89.02441	2.0
95.93449	11.9
98.65576	2.0
99.00875	8.3
99.05662	3.3
101.02441	5.4
111.00904	3.2
112.98830	15.5
113.02459	19.3
116.11417	1.7
127.05133	2.7
128.03532	10.7
129.10362	13.7
130.08737	21.0
138.95154	2.3
138.98947	33.3
139.08846	2.1
142.99876	8.9
143.03656	1.8
143.04604	10.3
143.11903	13.6
145.01448	2.3
161.04536	2.4
169.09824	2.8
171.07790	2.9
173.00937	21.2
174.01656	4.5
179.04605	2.9
187.10866	4.4
199.13298	3.4
210.08966	2.4
217.01790	2.1
223.13356	3.7
229.52319	2.0
243.32280	2.1
245.01311	3.1
247.02788	8.2
256.20242	6.0
267.12439	2.0
272.08878	7.8
272.11533	1.9
306.07733	5.9
308.07635	2.1
369.28555	3.7
378.07788	4.2
380.07666	6.6
395.54575	1.9
401.31860	2.1
413.27933	42.8
414.28021	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	412.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	5.8
63.94452	10.6
63.96246	17.0
64.95210	3.1
71.60918	4.6
71.61312	3.0
73.01182	3.5
76.97028	5.7
78.96817	30.6
79.93950	4.9
79.95748	16.0
94.96321	18.1
103.97619	3.9
104.58179	2.6
104.97678	5.5
104.98386	100.0
105.98737	2.6
118.94621	2.9
137.03009	8.3
150.75609	2.6
152.05406	39.9
157.17950	2.6
207.61533	3.4
378.00769	2.9
407.17923	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	412.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21638	0.5
59.01381	4.8
59.28941	0.5
61.98831	100.0
69.27958	2.8
69.28378	1.5
71.01386	0.6
73.01176	1.0
74.02463	0.9
79.95707	0.6
86.99112	1.2
91.11091	0.4
93.38052	0.4
98.22030	0.4
99.05628	0.5
101.00658	5.5
101.02423	0.6
104.98375	1.1
119.91149	0.4
128.03542	1.4
132.97881	31.6
137.77460	0.4
143.04617	2.3
173.21574	0.5
175.02586	0.6
177.03419	1.7
212.80844	0.4
216.71172	0.5
225.13216	0.5
226.09773	0.5
234.52132	0.5
251.12991	0.5
305.17252	0.4
306.07736	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	412.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.4
61.98831	100.0
64.15325	0.3
64.51175	0.3
69.10399	0.3
69.38461	2.6
71.01402	0.4
73.01176	0.3
74.02479	0.6
98.20799	0.4
99.05687	0.5
101.02457	0.6
104.98405	0.7
123.70098	0.3
128.03572	0.9
132.97934	0.3
136.18344	0.3
143.04613	2.0
160.00751	0.6
210.08887	0.3
228.46243	0.3
254.07915	0.3
272.08972	1.0
306.07626	2.7
307.07852	0.3
414.88629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	68.0
60.01702	1.2
61.98824	2.2
63.12278	1.0
63.94476	2.0
64.95248	29.0
70.67036	3.2
70.99619	3.5
72.97530	1.4
73.01175	5.1
75.02736	7.9
80.89288	1.0
85.02516	1.2
85.02922	6.5
85.67372	1.1
94.64195	1.1
96.45577	1.1
101.00665	19.2
104.98388	5.0
106.48069	1.1
106.99935	7.2
115.12981	1.2
117.00207	1.6
126.98635	1.1
138.97156	7.3
142.98172	1.3
144.99669	4.3
156.99619	1.7
174.01698	6.0
217.01744	100.0
218.02048	5.2
245.01184	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76054	2.9
54.13817	2.9
54.97094	3.2
59.01093	6.2
59.01378	100.0
69.59938	13.5
69.60365	11.3
109.51477	3.7
124.20850	3.2
161.94211	3.2
210.79733	3.1
220.42525	2.9
224.51932	3.8
252.68712	2.9
300.37061	3.5
323.64072	3.3
416.59744	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18840	2.5
59.01382	100.0
60.01716	2.6
65.96606	2.4
69.56210	13.7
69.56628	4.7
91.11077	2.2
105.56754	2.7
151.41348	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52805	0.5
54.11548	0.6
55.01870	0.6
58.00594	0.7
58.02970	1.8
59.01380	100.0
60.01714	1.2
61.98829	1.7
64.95250	4.0
65.89080	0.6
69.38890	3.6
69.39292	1.2
71.01387	15.2
71.01765	1.0
72.00906	0.7
72.99339	0.8
73.01180	0.8
73.02951	13.9
74.02482	3.9
74.03310	0.6
79.95738	10.2
80.96517	1.5
83.01397	3.6
85.02942	3.0
86.02487	2.1
87.00852	0.8
89.02453	6.1
95.01409	0.9
99.05665	2.5
101.02446	14.9
101.03082	1.1
104.98397	1.2
113.02448	8.2
119.03519	2.3
127.05143	0.8
128.03545	11.2
128.04420	0.9
131.03528	1.5
135.05658	0.8
136.95605	3.1
137.09731	4.8
143.03558	0.9
143.04613	13.2
144.04918	0.8
145.06219	1.3
146.04620	0.9
151.75963	0.5
153.06717	0.6
160.00711	1.4
161.04581	2.3
167.04633	0.9
171.07803	2.3
171.68938	0.5
179.04680	1.8
189.12885	1.2
199.07242	1.2
201.05185	0.6
210.08910	3.1
231.13908	0.8
252.40321	0.6
254.07721	3.6
268.57715	0.6
272.08850	9.8
272.11472	0.7
288.06607	1.1
306.07645	11.2
306.10947	1.0
307.08145	0.8
346.10965	1.8
346.95908	1.5
378.07932	9.1
379.08252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77161	0.5
58.02966	2.1
59.01383	4.2
60.97533	0.5
61.36720	0.6
61.98828	1.8
64.95261	0.5
66.03485	0.8
66.91100	0.4
67.01917	0.8
67.03011	1.5
69.25800	2.6
69.26222	2.6
71.01373	2.2
74.02475	35.6
80.05062	1.1
81.02983	0.6
82.02993	6.9
82.06625	0.7
83.01396	0.6
85.02950	1.5
85.04047	0.5
86.02486	0.8
87.00870	0.7
89.00668	5.1
96.00920	0.6
96.04556	1.0
97.04065	1.0
98.02480	0.5
99.05666	0.7
100.07698	0.9
101.02465	1.1
105.00166	1.6
107.02498	1.9
109.04079	9.0
110.02460	0.9
112.02805	4.3
112.04043	2.3
113.02425	0.6
119.05029	2.6
122.06089	0.6
124.16273	0.5
125.03589	1.6
126.09219	1.5
127.05140	65.7
128.03537	6.5
128.05452	2.1
129.03870	0.8
129.10362	1.2
130.08760	2.9
136.11360	1.4
140.07185	6.8
141.06689	3.8
143.04604	2.8
143.11909	14.4
144.12184	0.8
149.36655	0.5
152.05376	0.9
153.00462	0.8
153.10365	3.0
160.00699	0.7
169.09811	3.4
179.01985	0.5
179.11896	1.8
180.10289	5.3
187.10857	10.4
195.11392	3.0
195.15080	0.7
197.12938	1.5
205.12276	0.9
208.13385	0.7
221.16626	2.0
222.12451	3.4
223.10854	4.6
225.16078	0.9
240.13547	2.2
241.11940	0.9
254.07774	0.7
254.15045	2.1
256.20297	7.3
260.55280	0.6
265.15585	2.3
272.08862	1.2
273.09277	0.8
292.20303	5.9
292.33267	0.5
293.20764	1.1
304.06140	1.5
305.06479	1.5
306.07834	0.9
332.39481	0.6
336.19357	1.3
342.06525	0.7
367.23477	7.0
368.23898	1.2
411.22479	100.0
412.22784	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	411.079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
63.24802	3.6
63.94458	15.1
64.95253	18.5
70.63315	8.8
70.63686	9.4
71.01380	8.5
73.01176	16.2
74.02477	6.0
79.95750	25.4
80.96489	4.6
83.01389	4.6
85.98802	4.9
87.00853	5.3
99.05630	4.7
104.98380	91.1
112.93742	5.9
115.00383	5.7
121.49712	4.1
128.03520	18.5
136.95618	4.6
137.01003	55.7
141.00122	8.1
142.99890	5.0
143.04613	23.3
143.90166	17.5
160.00722	9.3
161.00975	8.2
173.00964	4.8
174.01701	20.9
175.02473	10.3
179.04590	6.5
263.03687	4.7
272.08932	14.8
291.03265	12.5
306.07626	42.2
321.04440	9.8
337.03824	5.0
378.08136	5.4
406.84744	5.7
411.07565	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41288	9.0
55.91062	8.7
59.01377	44.6
61.98834	100.0
63.96224	11.5
71.01376	41.1
71.59733	14.1
72.99321	14.6
73.01179	17.8
74.02470	10.2
75.00862	8.3
77.13697	9.6
78.95903	35.4
87.00895	64.3
89.02450	38.3
96.96951	30.2
101.02448	18.4
109.65021	8.9
113.02454	16.1
115.26891	9.5
119.03459	14.5
120.40083	9.0
122.03732	17.8
128.03529	34.9
133.05063	9.5
136.97359	28.2
143.04590	35.5
145.02950	31.4
149.02403	11.3
161.02614	10.3
161.04478	16.8
171.07646	9.6
177.05710	12.7
179.03728	12.3
179.05742	11.1
222.03853	34.7
246.28412	9.9
248.23595	11.1
249.02487	16.1
254.08020	13.5
272.08987	45.3
346.10776	16.3
351.05634	38.9
352.06143	11.0
357.12021	12.8
412.08691	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	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23851	0.7
55.01879	1.1
57.03450	1.3
57.95190	0.6
58.00579	0.7
59.01380	100.0
60.01718	1.8
69.03458	1.0
69.41640	5.9
71.01382	21.3
72.01747	0.7
72.99304	1.0
73.02948	27.2
75.00909	0.7
79.95755	4.3
80.96515	0.7
83.01385	8.3
85.02937	3.9
87.00893	0.9
89.02438	9.0
94.96465	0.6
95.01371	0.7
101.02444	24.1
102.02821	0.8
113.02457	12.3
119.03536	2.1
121.06627	0.9
125.02486	1.3
131.03526	1.9
137.09726	8.1
143.03525	1.6
149.04576	1.2
161.04500	3.8
164.04617	0.7
174.01692	0.9
175.27547	0.8
189.12903	1.5
199.60280	0.7
244.57001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93221	1.8
58.02984	8.9
59.01382	92.8
60.99285	2.3
61.98842	10.1
63.96223	2.5
64.02592	1.7
64.94928	2.5
64.95248	27.8
71.01385	16.2
71.61156	2.7
72.00910	4.6
73.01182	3.0
73.02943	5.3
74.02473	24.7
79.95735	24.1
80.96519	3.1
82.02992	2.6
83.01403	3.3
85.02940	5.4
86.02483	15.6
86.56671	1.9
87.00872	8.4
87.05625	5.9
88.04060	3.4
88.98795	13.0
89.02448	5.6
90.00156	3.5
95.01398	1.9
98.15320	1.9
99.05652	17.6
100.00382	3.0
101.02419	11.5
101.07198	3.0
104.98376	6.9
109.04032	3.5
109.07741	2.7
113.02435	8.6
119.03484	3.1
123.05563	2.5
125.03574	2.7
127.05151	5.8
127.08748	4.2
128.03543	79.0
129.03896	2.3
135.04504	15.2
135.05521	4.0
136.95607	15.9
141.06679	6.7
143.04631	93.5
145.06169	6.8
146.04594	8.3
153.06694	4.1
160.00725	16.8
161.04565	3.6
166.09846	2.5
167.04581	7.1
167.08157	2.3
171.07767	12.2
177.03378	6.3
179.03214	14.3
179.04823	17.9
185.05630	6.6
189.12762	3.0
199.07239	3.4
210.08873	13.8
228.09912	4.3
231.13980	2.1
242.07755	2.2
243.35588	2.1
244.09314	3.6
249.05583	3.3
254.07851	19.5
272.08871	72.1
273.09317	7.3
278.19583	1.9
288.06558	8.2
306.07663	100.0
307.07928	5.6
346.10797	10.7
346.95755	2.2
378.08002	54.9
379.08270	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	411.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07565	0.4
58.02992	0.5
59.01379	2.5
61.25341	0.4
61.78242	0.4
61.98825	1.5
64.46350	0.4
64.95241	1.3
71.01403	2.1
72.00903	0.4
73.02948	0.6
74.02492	1.0
78.16875	0.4
78.95908	0.6
81.37397	0.4
85.02946	0.9
86.02477	0.7
87.00872	9.8
87.01361	0.7
89.02436	0.7
93.95841	0.4
99.02734	1.5
101.02457	0.8
101.04312	0.9
102.98577	0.6
110.22118	0.4
113.02415	0.7
127.02236	100.0
128.02551	4.2
128.03540	2.6
136.95570	0.9
143.04613	2.4
145.06169	0.4
160.00737	0.5
161.00993	14.3
162.01344	0.9
171.07829	0.5
215.12947	1.7
231.01556	2.0
249.06139	8.8
250.06564	0.6
254.07910	0.8
272.08951	3.0
283.04932	0.7
306.07761	2.2
376.10571	0.4
378.07901	2.2
411.07758	7.2
411.12665	0.9
412.08353	0.6
412.16571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	10.4
59.01372	7.9
61.98832	4.4
63.94450	5.7
64.95241	38.7
67.78551	2.8
68.21182	2.9
69.83267	16.3
71.01375	8.0
72.00903	8.0
74.02476	31.0
81.69348	2.5
82.02973	3.7
84.04460	2.6
86.02471	17.1
86.15594	2.9
87.04474	2.8
87.05651	3.1
89.00664	4.5
89.44337	2.5
98.19808	2.8
99.05660	24.7
99.18273	2.2
100.00410	3.2
101.02422	2.8
101.07214	2.7
104.98378	7.2
113.03525	2.8
125.03658	3.5
127.05142	7.4
127.08717	3.4
128.03545	90.1
135.05659	4.3
136.95569	28.0
141.06726	4.6
143.03529	5.1
143.04628	100.0
144.04977	2.8
145.06194	9.2
146.04558	10.8
153.06647	6.5
160.00731	16.1
167.04529	6.5
167.08232	3.1
171.07698	19.9
177.03407	8.4
179.02037	8.1
179.04634	17.4
181.06174	3.2
184.10928	3.6
185.05663	7.5
192.07771	3.4
199.07246	5.1
201.05215	3.7
210.08835	19.7
217.08266	3.4
228.09946	4.1
242.07950	4.7
249.05502	5.3
254.07860	26.6
262.08633	3.2
272.08878	100.0
273.09262	10.2
288.06528	6.4
306.07663	92.7
307.07938	5.5
346.10657	15.7
378.07977	84.0
379.08389	6.2
411.20233	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	411.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93221	1.8
58.02984	8.9
59.01382	92.8
60.99285	2.3
61.98842	10.1
63.96223	2.5
64.02592	1.7
64.94928	2.5
64.95248	27.8
71.01385	16.2
71.61156	2.7
72.00910	4.6
73.01182	3.0
73.02943	5.3
74.02473	24.7
79.95735	24.1
80.96519	3.1
82.02992	2.6
83.01403	3.3
85.02940	5.4
86.02483	15.6
86.56671	1.9
87.00872	8.4
87.05625	5.9
88.04060	3.4
88.98795	13.0
89.02448	5.6
90.00156	3.5
95.01398	1.9
98.15320	1.9
99.05652	17.6
100.00382	3.0
101.02419	11.5
101.07198	3.0
104.98376	6.9
109.04032	3.5
109.07741	2.7
113.02435	8.6
119.03484	3.1
123.05563	2.5
125.03574	2.7
127.05151	5.8
127.08748	4.2
128.03543	79.0
129.03896	2.3
135.04504	15.2
135.05521	4.0
136.95607	15.9
141.06679	6.7
143.04631	93.5
145.06169	6.8
146.04594	8.3
153.06694	4.1
160.00725	16.8
161.04565	3.6
166.09846	2.5
167.04581	7.1
167.08157	2.3
171.07767	12.2
177.03378	6.3
179.03214	14.3
179.04823	17.9
185.05630	6.6
189.12762	3.0
199.07239	3.4
210.08873	13.8
228.09912	4.3
231.13980	2.1
242.07755	2.2
243.35588	2.1
244.09314	3.6
249.05583	3.3
254.07851	19.5
272.08871	72.1
273.09317	7.3
278.19583	1.9
288.06558	8.2
306.07663	100.0
307.07928	5.6
346.10797	10.7
346.95755	2.2
378.08002	54.9
379.08270	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	411.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	3.6
58.05404	1.4
58.73738	1.5
59.01377	4.4
61.98823	2.8
63.56724	1.3
64.95255	16.8
69.29289	4.4
69.29713	10.8
71.01395	2.4
72.00885	2.4
73.01190	1.7
74.02473	13.5
81.64395	1.4
86.02487	6.4
87.00900	9.2
87.05642	1.8
88.04014	2.8
93.03490	3.4
99.05648	10.3
100.00401	2.7
101.02435	2.7
101.07227	1.9
104.98402	5.1
127.02237	100.0
127.05113	2.3
127.08850	1.6
128.02562	5.1
128.03526	38.2
128.04431	2.9
130.08734	1.9
133.53816	1.3
135.06705	1.4
136.95570	12.2
141.06662	1.6
143.04630	46.5
145.06200	5.2
146.04581	2.8
153.06763	2.7
155.08218	1.7
160.00737	5.9
161.01048	13.6
171.07802	7.3
177.03326	3.0
179.04593	7.4
185.05652	3.4
199.07230	3.1
201.07542	1.4
205.99310	1.3
210.08859	9.7
217.08295	1.8
231.01402	2.9
249.06030	12.0
254.07863	11.8
272.08871	44.2
273.09198	4.1
288.06586	5.0
296.62033	1.6
305.08524	1.7
306.07626	38.5
307.07977	3.9
346.10776	10.6
378.07962	43.6
379.08145	5.5
411.07895	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	7.3
59.01372	6.2
61.98822	6.3
63.76115	1.5
64.95246	26.1
69.38972	13.5
69.93428	1.4
71.01381	4.7
72.00903	5.5
73.01186	2.9
73.02951	2.7
74.02468	18.7
82.02972	2.4
86.02484	11.9
87.00878	7.5
87.05634	4.5
88.04033	3.2
89.02430	2.4
96.96016	3.6
98.02528	1.6
99.05644	15.6
100.00411	2.0
101.07247	3.0
104.98360	7.3
109.04066	2.9
111.05695	1.6
112.04043	2.7
124.04015	2.1
125.03516	2.2
127.02240	100.0
127.05174	2.7
128.02621	4.3
128.03535	62.9
129.03906	1.8
135.05647	3.6
136.95605	17.5
137.07288	2.0
141.06712	2.0
143.04626	63.4
144.04826	1.9
145.06183	6.2
146.04579	6.1
153.06677	3.9
155.08253	3.3
160.00725	13.2
161.00996	14.4
161.04507	1.9
166.09845	2.7
167.04631	5.2
171.07738	10.8
177.03363	3.6
179.04593	13.0
181.06195	4.0
185.05652	5.9
187.11278	2.6
197.05641	3.0
199.07219	3.5
207.95088	1.6
210.08757	12.5
215.04918	2.0
217.06525	1.8
228.09851	3.3
231.04227	1.8
244.09337	4.0
249.06020	11.8
254.07779	16.0
272.08862	57.5
273.09286	5.6
288.06708	6.6
306.07629	62.3
307.07941	6.4
332.51413	1.5
346.10788	10.7
351.20135	2.0
360.85666	1.6
378.08005	56.1
379.08279	4.6
402.02011	2.0
411.07840	9.7
411.12720	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	411.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88244	1.8
59.01378	60.3
61.98825	7.3
62.36404	1.8
63.94465	2.8
64.95235	8.7
69.42042	15.8
71.01365	5.1
73.01176	21.9
78.95880	9.8
79.95731	2.1
87.04512	2.3
95.91686	2.3
96.95982	4.1
98.20626	4.8
98.50883	2.0
99.95824	1.8
104.98392	11.0
112.98801	3.2
128.03548	6.1
136.95576	5.8
137.00922	2.9
142.99886	8.7
143.04634	6.4
155.08257	2.4
161.01036	2.2
173.00844	5.3
174.01698	100.0
175.01996	3.7
245.01288	5.6
254.07631	2.9
272.08853	3.5
273.46225	2.3
278.99969	8.0
306.07642	9.7
341.87402	2.2
366.04163	2.1
378.08066	2.4
422.73019	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	411.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97198	7.0
58.23112	7.5
59.01378	90.9
61.98840	41.8
63.96240	27.7
64.95234	11.5
70.44187	26.4
71.01385	13.2
73.01169	56.3
73.02944	8.9
74.02483	10.3
79.95747	53.6
80.06637	7.0
80.96518	15.6
85.02925	9.8
89.02450	7.5
95.93449	24.2
98.19873	8.4
99.00889	12.9
99.04533	72.1
101.02462	13.7
105.00138	41.4
109.33862	8.5
112.98804	21.6
119.66435	7.6
122.00311	7.6
128.03531	14.0
136.97359	100.0
142.99857	17.8
143.04593	11.7
173.00909	31.9
265.15555	9.2
272.08755	11.5
306.07672	15.3
328.55014	7.7
346.95752	11.9
411.20691	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	410.106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19796	1.8
55.13033	1.9
58.02975	11.7
59.01385	12.8
61.98829	8.2
63.94462	4.7
64.95243	4.6
65.45651	1.8
66.03484	2.2
69.32410	16.8
71.01388	5.2
72.00901	2.8
73.01182	13.8
74.00708	12.3
74.02477	21.6
78.95930	2.9
82.03001	9.0
84.04567	2.0
85.02946	1.9
85.04075	3.2
86.02467	12.0
87.05664	4.8
88.04041	4.8
89.00666	2.4
90.37938	1.9
90.71473	2.2
94.57030	1.8
97.04057	10.2
99.05650	18.8
100.00405	20.1
101.02442	3.8
101.07175	2.0
102.00203	2.5
102.05610	3.4
105.99682	7.4
107.06152	3.1
109.04068	4.4
113.02460	2.8
113.03556	2.1
127.02197	3.0
127.05143	5.5
128.03539	100.0
129.03859	2.6
135.05663	7.0
137.01031	2.7
141.06720	3.3
143.04625	83.3
144.04976	2.3
145.06184	2.7
146.04639	9.6
151.05138	3.3
152.05399	18.4
153.06720	7.1
160.00752	3.8
166.09863	3.3
167.08240	2.3
169.06151	17.2
175.01779	11.9
179.04645	20.8
184.02582	4.7
185.03912	8.3
185.05676	3.4
197.05678	7.6
197.07527	2.3
203.04958	7.7
210.08826	22.3
226.08336	2.2
228.22563	2.1
254.07828	35.3
255.08255	2.8
272.08862	63.9
273.09207	4.6
286.04993	8.7
304.06076	30.7
305.06332	2.7
351.20239	2.1
410.10529	17.5
411.26642	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	410.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	5.7
59.01385	14.0
61.98833	100.0
64.95249	19.6
68.17599	2.8
69.14323	2.5
69.53181	7.3
69.53587	12.3
71.01379	4.1
72.00944	4.0
72.50785	2.3
74.02488	15.1
79.95749	5.1
81.30154	2.4
86.02483	11.6
87.05650	4.7
88.04060	4.6
94.42471	2.4
99.05618	14.1
101.02438	3.1
104.98391	7.5
112.04089	2.6
127.05110	3.4
128.03542	58.7
135.05641	4.9
136.95589	19.8
137.07181	3.4
143.04623	61.7
145.06165	5.2
146.04597	6.1
146.89641	2.5
153.06749	3.6
160.00725	10.4
163.40253	2.6
167.04616	4.5
171.07739	10.9
173.00844	3.1
179.04619	12.3
181.06157	2.9
197.05740	2.7
199.07155	4.2
210.08812	10.5
220.31668	2.8
244.09320	4.5
254.07895	18.7
272.08881	59.9
306.07632	58.5
346.10669	17.0
378.07935	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	6.1
61.98831	100.0
64.95234	1.3
65.23327	1.4
69.42548	9.9
70.99609	12.9
71.01381	3.2
73.01184	2.3
78.95892	2.2
79.95753	2.8
89.02469	1.5
95.42889	1.3
99.00867	2.1
100.05691	1.1
104.98392	2.2
112.98794	6.1
128.03523	1.4
142.99817	2.3
163.02597	2.0
173.00917	8.0
174.01437	2.9
175.02460	2.9
213.14912	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	410.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	5.4
59.01374	9.6
59.79024	1.7
61.98843	4.0
63.94467	8.5
64.95246	1.9
69.66627	10.0
71.01379	6.4
73.01147	3.7
73.02934	4.1
74.00688	7.9
74.02472	25.6
74.65446	1.5
76.95273	1.9
79.95731	2.0
82.02990	9.4
83.01376	2.7
83.05017	2.1
84.04552	2.2
85.02959	3.5
85.04068	5.5
86.02487	9.0
87.05647	4.4
89.02456	2.4
97.04076	17.1
99.00896	2.1
99.05647	13.6
100.00401	17.2
101.02451	6.9
102.00201	9.7
104.75861	1.8
104.98376	14.6
105.99696	20.9
107.06186	2.1
109.04069	5.6
112.04044	2.9
113.02489	2.7
113.03568	3.7
114.00198	9.2
116.01730	2.2
123.05644	1.9
125.03569	3.7
127.05163	16.8
127.74664	1.6
128.03546	100.0
129.03897	2.1
131.02861	2.9
133.56866	1.7
135.05640	6.0
136.95673	1.8
137.07211	1.8
140.07225	1.9
141.03055	4.8
141.06696	2.4
143.04622	51.8
143.11957	2.6
145.06171	2.9
146.04593	5.1
146.98183	4.4
151.05086	3.5
153.06664	10.2
160.00752	8.3
161.04518	2.7
166.09886	2.2
169.06190	16.1
175.01810	24.1
176.00125	2.0
179.04646	14.8
182.09352	3.2
184.10886	3.0
185.03877	4.8
187.10840	2.8
197.05687	11.5
203.04927	7.8
208.07272	2.4
210.08884	9.8
226.08386	8.2
228.03441	2.2
228.09871	6.0
252.06218	3.1
254.07838	15.1
263.14954	4.7
264.15253	7.3
272.08856	48.3
273.09109	3.6
282.08380	1.9
286.04977	12.9
303.77417	2.1
304.06076	95.4
305.06335	6.9
306.07645	4.6
337.04062	23.7
338.04321	2.6
410.04944	3.0
410.21002	4.6
410.26538	6.1
411.22458	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	69.8
59.01382	100.0
60.01717	1.8
61.98824	2.0
68.71857	1.2
70.34740	3.2
71.01382	19.4
73.02956	3.7
78.46137	1.3
81.03476	3.7
83.01407	3.0
85.02953	7.9
87.00863	1.9
89.02451	8.3
95.01386	1.3
98.19814	1.4
99.00881	3.1
99.04524	72.7
100.04858	2.3
101.02449	28.6
103.07677	1.3
113.02481	9.4
119.03547	2.3
125.02457	35.4
127.60206	1.3
129.79466	1.2
131.92979	1.2
135.98395	1.5
143.03532	2.2
161.04568	11.2
179.05655	2.5
197.16676	1.4
237.92235	1.3
247.11873	3.1
265.12918	29.2
266.13086	2.5
284.03220	2.3
285.04019	2.6
307.14020	6.7
324.80850	1.4
349.18723	3.0
393.45026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07052	0.4
55.78077	0.4
59.01382	1.8
70.79976	0.5
70.92565	1.0
71.01382	1.6
73.02954	2.7
78.95902	7.0
79.85404	0.4
92.17496	0.5
96.96941	0.5
103.04035	0.6
107.01839	0.5
112.92990	0.4
131.03520	4.2
136.11072	0.4
152.98352	0.5
152.99585	9.2
155.00047	0.6
171.00618	1.6
182.76550	0.5
216.22536	0.6
241.21800	0.7
277.21713	100.0
278.22049	12.7
291.35394	0.4
325.18311	1.1
409.25995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24628	0.9
59.01367	1.8
61.98830	100.0
71.61447	1.3
76.92536	1.0
78.95905	12.0
96.95996	1.8
103.66293	1.0
152.98528	1.2
152.99611	14.9
155.85960	1.0
239.20172	3.2
407.21823	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	409.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98030	1.3
57.03448	3.1
57.81118	1.2
59.01377	8.3
61.98833	12.5
68.99804	1.4
70.81735	2.9
71.01379	14.5
72.99297	1.5
73.01177	2.0
73.02952	2.4
78.95914	1.5
79.95748	2.4
80.96526	1.1
83.01396	4.1
83.82819	1.0
85.02953	3.2
86.99096	13.2
87.00882	3.4
93.03458	1.3
96.04567	1.2
97.75134	1.0
99.00879	18.3
101.02432	2.2
102.96842	7.4
111.00876	6.3
112.98811	83.2
113.02389	1.2
113.99134	1.6
115.00396	5.1
120.01091	1.0
121.80654	1.0
124.98790	2.8
127.02197	1.6
129.00172	2.4
129.01918	2.5
142.99863	45.2
144.00189	1.4
144.99541	3.9
145.01392	5.0
161.01036	3.9
168.99654	1.7
171.01202	1.4
173.00912	100.0
174.01645	11.7
175.02502	9.7
189.20183	1.0
229.01717	2.2
242.99651	2.7
247.02791	14.8
303.36032	1.0
317.01620	3.0
318.01474	1.2
332.25659	1.0
395.16574	1.1
409.09653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03449	99.2
58.03799	1.8
59.01381	100.0
60.01718	1.5
61.98833	5.5
69.15179	1.2
70.92366	3.3
71.01389	9.2
73.02925	3.8
75.00877	4.5
78.95913	7.9
79.95742	5.5
80.96520	5.7
81.03470	2.2
83.01402	3.6
85.02959	5.9
87.00886	12.6
89.00687	2.3
89.02464	2.6
95.96435	1.4
96.96018	2.8
99.00888	6.2
99.04524	96.9
100.04861	3.2
101.02442	26.2
111.00883	2.1
112.98823	7.2
113.02445	4.0
115.60065	1.2
125.02441	32.5
127.04007	6.2
142.99902	10.1
143.03514	3.1
145.05098	12.0
152.96907	2.9
156.00647	10.7
161.04549	2.1
173.00861	7.0
174.01701	9.4
227.96213	1.3
247.02797	2.0
263.14963	16.6
278.99957	1.6
302.06381	14.8
365.20761	1.5
407.18155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
57.03447	4.3
58.00608	1.4
59.01380	51.4
59.41300	0.5
60.01722	1.3
61.98841	1.6
69.03469	1.3
71.01385	49.5
71.60672	0.6
72.01752	0.9
72.99319	3.0
73.02950	22.6
75.00881	1.1
81.03474	0.9
82.03024	0.5
83.01394	15.2
85.02953	25.6
86.00100	0.9
86.04417	0.5
87.00866	3.0
87.04523	0.5
89.02448	7.7
95.01373	4.0
97.02970	1.9
97.06625	1.0
99.00886	9.0
99.01512	0.8
99.04536	0.8
99.08160	1.2
99.92580	8.0
100.92617	0.5
101.02444	52.7
102.02786	1.3
103.04058	2.1
111.00876	1.0
113.02451	20.1
114.02824	0.5
114.98548	0.5
115.92083	6.7
116.92868	4.7
119.03514	2.3
125.02466	2.2
127.04000	0.8
129.01952	1.3
143.03479	2.7
145.08722	1.3
148.07689	0.5
159.02989	4.0
161.04561	22.9
162.04927	0.9
163.06151	1.1
171.10335	0.7
205.03474	0.8
205.07117	0.5
229.01717	1.3
229.07365	0.6
231.07761	0.6
243.04221	0.7
243.12233	0.7
244.09831	0.7
244.12608	0.6
244.97592	1.0
245.12805	0.9
247.08304	0.7
257.05536	0.5
259.07242	2.6
261.13419	100.0
262.13818	8.1
271.07303	1.4
287.10336	3.7
291.09857	0.5
305.12424	1.4
313.08362	4.2
329.16119	0.6
331.09314	3.5
332.09436	0.9
345.10739	1.1
347.17023	0.9
350.49063	0.6
375.08414	0.8
389.17389	0.6
407.06662	3.0
407.11597	3.1
407.19138	47.6
407.26968	4.5
408.14682	0.4
408.19537	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	407.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35976	0.4
55.01870	0.7
57.03445	1.8
58.00589	4.2
59.01379	100.0
60.01717	1.3
61.98837	0.6
64.95299	0.4
66.65356	0.4
68.05971	0.4
68.99837	0.6
69.03452	2.2
71.01384	56.8
71.05061	0.4
71.61285	0.4
72.01729	1.0
72.99308	7.3
73.02948	34.1
74.03286	0.9
75.00874	1.5
79.93973	0.7
79.95742	1.2
81.03474	0.8
83.01399	4.3
85.02956	17.8
86.00086	2.6
87.00877	13.1
87.04514	4.9
89.02449	47.9
90.02793	1.2
95.01389	1.8
97.02949	1.8
99.00864	1.1
99.04528	1.1
101.02445	60.7
102.02787	1.2
103.04013	24.7
108.04601	0.4
109.02919	0.7
113.02452	10.5
115.04015	6.0
115.07635	0.7
119.03501	18.8
120.03780	0.6
125.02470	3.4
127.04057	2.5
131.03506	13.4
132.03711	0.5
133.05095	0.7
134.03708	0.4
143.03502	17.7
144.03795	0.4
145.05072	6.9
149.04550	0.9
161.02386	0.4
161.04562	2.3
163.06126	50.0
164.06461	2.3
171.10216	0.8
179.05637	4.3
183.13893	0.7
205.07170	33.5
206.07509	1.9
209.11806	0.6
227.12822	0.9
243.12404	0.5
245.14040	2.6
246.37248	0.5
261.13376	0.9
265.09286	2.0
285.03641	0.4
329.40179	0.4
347.16827	1.6
407.18982	10.8
407.26263	1.6
408.18948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.7
57.03450	60.6
59.01380	100.0
61.98829	17.9
64.95246	3.2
70.99597	1.9
71.01375	10.6
71.61382	2.1
73.01180	2.8
73.02935	4.1
75.00889	2.1
79.95741	20.4
80.96516	3.2
83.01395	2.0
85.02946	7.8
87.00877	4.4
87.16187	1.5
89.00706	2.0
89.02467	5.2
89.04630	1.7
91.54417	1.5
95.93482	1.8
96.96003	1.7
99.00890	4.2
99.04521	53.8
100.04903	1.8
101.02437	21.0
112.93723	8.4
112.98828	2.9
113.02451	5.7
117.03461	1.8
120.99624	1.7
121.03022	1.5
125.02430	21.0
133.02959	6.0
134.03651	2.0
135.03038	1.9
135.04449	2.2
137.02464	3.2
142.99915	4.1
145.02942	2.7
152.96875	3.9
161.02437	7.3
161.04541	2.7
173.00893	3.9
174.01622	1.8
177.53409	1.7
178.02596	1.9
179.03468	2.2
196.24611	1.4
227.03468	7.5
228.03822	4.9
255.02925	9.2
256.03333	8.7
257.03952	2.0
263.14975	10.2
265.09164	3.9
284.03268	10.5
285.03790	8.2
286.04028	1.8
305.15704	1.6
406.59094	15.4
407.09439	7.4
407.59665	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.5
61.98819	4.5
71.61954	3.8
80.96539	2.8
96.56630	2.3
96.96053	6.2
99.04517	100.0
100.04887	2.6
109.49304	2.2
112.98822	4.7
135.35207	2.2
143.04997	3.6
159.08162	3.7
171.08156	2.7
173.00801	3.1
195.08145	11.1
201.09256	6.7
213.09215	13.5
215.07118	3.0
217.05124	3.1
231.10114	3.6
245.08127	7.0
257.08243	3.2
275.09274	8.6
407.17206	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	407.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.7
59.01379	100.0
61.98837	19.2
67.86778	3.9
71.01373	15.7
71.38181	7.4
75.00885	6.1
79.95735	13.2
85.02956	4.2
87.00875	8.4
89.02442	6.3
101.02446	9.9
113.02419	11.1
115.03971	3.7
152.96883	6.8
161.02463	8.3
171.10281	11.0
192.27902	4.3
211.40562	4.6
229.58887	4.1
264.03854	4.0
285.03882	5.3
315.04855	6.6
389.25610	6.2
407.26563	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	407.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.7
59.01379	100.0
61.98837	19.2
67.86778	3.9
71.01373	15.7
71.38181	7.4
75.00885	6.1
79.95735	13.2
85.02956	4.2
87.00875	8.4
89.02442	6.3
101.02446	9.9
113.02419	11.1
115.03971	3.7
152.96883	6.8
161.02463	8.3
171.10281	11.0
192.27902	4.3
211.40562	4.6
229.58887	4.1
264.03854	4.0
285.03882	5.3
315.04855	6.6
389.25610	6.2
407.26563	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	407.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32206	1.6
54.97350	1.7
55.93559	1.8
57.03453	56.5
59.01379	100.0
60.01741	1.8
61.72809	2.0
61.98837	19.6
63.58945	1.9
63.91814	1.8
64.62720	2.2
70.74797	2.9
70.75139	3.6
71.01377	16.6
73.02942	3.5
75.00894	4.0
78.95921	2.0
81.03456	2.3
85.02942	10.7
87.00908	3.2
88.04047	4.5
89.02465	6.4
95.01392	1.7
96.96966	1.8
98.02508	1.8
99.00877	3.1
99.04521	61.7
99.05164	4.0
101.02438	20.2
101.06121	1.9
113.02455	9.5
119.03432	1.8
125.02448	20.1
127.05128	2.8
128.03513	4.9
141.06706	1.7
143.03534	2.1
148.66806	2.0
150.03197	2.6
151.00464	2.0
151.04053	3.4
161.04558	7.7
165.05637	2.5
179.05562	2.1
263.11328	4.1
305.12418	2.4
315.05066	2.8
347.17175	2.3
358.12396	1.8
362.66873	2.3
363.16550	2.6
389.14459	2.4
407.15308	5.2
407.19971	2.5
408.04691	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	407.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	1.5
59.01381	23.9
59.56771	1.3
61.98820	4.3
63.18430	1.5
65.99853	1.2
71.01391	7.0
72.82647	1.4
72.99348	1.4
73.02934	3.0
73.04065	1.8
77.50813	1.4
78.96826	1.7
82.02979	12.5
83.01415	1.5
85.02930	2.4
87.00877	3.0
89.02448	3.5
96.00916	5.6
98.02483	3.9
99.00877	1.4
99.04485	2.6
101.02435	4.2
109.01653	1.8
110.02492	2.0
113.02468	3.2
113.03590	1.7
119.03514	2.1
119.05034	3.8
122.06075	1.3
130.08734	11.3
136.04041	2.1
138.09270	2.3
160.07652	4.0
161.04625	1.8
162.05615	1.5
164.03534	7.4
172.07800	1.6
172.10922	3.6
174.05594	3.4
188.07202	3.9
189.03061	2.5
190.01366	1.6
191.04596	2.9
196.06166	1.8
202.08678	3.7
203.10851	1.8
205.09830	2.1
214.08908	1.4
215.04459	2.4
216.05067	2.7
216.06654	6.7
216.10303	2.3
217.02574	3.5
217.06081	8.3
218.06819	1.7
223.10959	2.8
228.06725	3.2
229.06027	7.3
230.03264	3.1
230.06914	3.6
231.07736	10.6
232.08482	3.2
233.09100	1.5
241.06163	2.2
242.03302	4.4
243.04118	22.4
243.07809	3.6
243.11465	1.4
244.04823	12.3
244.09912	11.0
245.09344	5.3
248.09218	2.8
249.05124	1.7
256.04932	4.9
257.05682	15.2
257.08456	1.9
257.09274	1.9
258.06485	7.1
259.07239	41.3
259.10794	7.8
260.07501	2.6
266.14960	1.6
267.09818	2.2
269.09409	3.6
271.07233	26.5
272.07797	4.3
275.13922	1.6
276.12408	2.3
285.05368	1.7
285.08801	5.1
287.10373	76.8
288.08600	5.7
288.10944	4.9
291.09903	9.4
292.10281	1.7
298.05490	1.2
303.06186	1.6
303.09802	2.2
313.08301	100.0
314.08682	12.2
319.13010	2.7
331.09354	55.4
332.09637	4.6
335.08881	2.3
340.35461	1.4
345.10745	7.3
347.17328	1.9
353.69705	1.3
357.07233	1.6
373.14044	20.3
375.08298	19.7
376.08908	3.0
389.10086	3.2
390.16641	8.8
399.66071	1.6
407.10953	57.5
407.19324	13.8
407.26495	1.9
408.11481	7.3
408.18744	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	407.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.9
61.98831	8.7
68.40292	2.6
71.61533	3.1
79.95755	6.4
80.96491	2.7
86.99115	3.6
95.91645	2.9
96.96014	20.8
102.64396	2.9
112.98820	2.6
125.46525	2.8
142.99866	4.7
158.99503	3.3
173.00906	8.9
174.01691	100.0
175.02036	3.6
199.34795	2.5
205.76727	2.7
214.60934	2.5
215.36620	2.6
245.01277	2.8
279.00027	20.0
335.50610	3.0
356.84186	2.6
378.96994	3.0
407.17523	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	407.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.9
60.03820	1.3
60.06678	1.3
61.98831	1.6
65.29762	1.4
65.99850	2.1
71.01385	7.4
71.02530	1.6
71.32082	3.3
72.99310	2.8
73.02963	2.8
73.04073	14.3
78.95934	1.9
82.02976	10.3
83.01414	2.2
85.02938	3.4
85.39410	1.2
87.04530	1.6
89.02453	6.9
91.05569	2.4
96.96026	1.6
99.04528	1.3
101.02460	7.0
103.05134	4.8
109.01707	5.1
113.02451	3.3
119.03502	2.9
120.99568	1.6
129.10434	1.6
133.76408	1.6
137.07217	1.5
147.04530	4.9
150.02272	2.6
154.09816	3.4
155.08311	2.7
160.07678	3.1
161.04628	2.6
164.03542	7.3
164.07126	11.5
172.10913	26.4
173.11264	1.4
174.01994	2.0
174.05598	2.3
174.09248	1.7
177.10324	8.0
179.08241	1.6
185.06126	1.5
188.07246	3.9
189.03049	2.1
191.04672	2.1
200.07198	1.8
202.08727	5.0
210.07825	3.3
211.11937	5.8
215.04601	2.5
215.08244	1.6
216.05249	4.6
216.06853	3.7
216.10152	2.1
217.02644	6.9
217.06122	8.1
221.09332	2.8
228.06595	2.9
229.06061	8.7
229.13086	6.2
230.03406	2.2
230.06763	3.9
231.07784	9.4
232.08334	3.6
236.04347	1.6
241.06197	3.8
242.03334	5.4
243.04068	21.6
243.07808	3.9
244.04855	8.7
244.09824	10.5
245.09344	6.4
248.09215	4.0
249.05199	2.2
256.04892	6.3
257.05637	18.1
257.08420	1.7
257.09320	1.7
258.06415	6.7
259.07220	40.3
259.10867	6.0
260.07391	3.4
269.09244	3.3
271.07220	25.3
272.07617	3.2
276.17078	3.4
285.05286	1.3
285.08835	5.4
287.10376	70.6
288.10718	7.9
291.09811	9.4
298.05682	1.8
302.05655	1.7
303.09683	2.6
313.08289	100.0
314.08640	10.6
331.09320	55.5
332.09738	6.6
333.19315	7.7
335.08545	2.5
345.10925	9.0
347.17178	2.3
357.07071	1.8
373.13788	2.2
375.08267	20.6
376.08911	2.3
377.18271	4.3
389.09979	4.8
389.18430	2.5
407.10938	60.8
407.19336	60.9
408.11142	7.2
408.19708	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	407.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88372	1.3
57.03449	3.4
59.01373	15.8
61.98817	5.9
62.68513	1.4
71.01391	12.8
73.01165	2.1
73.02951	2.8
78.16543	2.0
78.95896	4.9
79.95736	7.6
80.96523	4.9
83.01391	4.2
85.02956	4.8
86.99083	6.5
87.00868	2.3
89.00673	3.9
89.02466	1.6
98.19852	3.7
99.00886	21.3
101.02425	2.8
111.00884	8.8
112.98812	73.8
113.99164	2.1
115.00313	3.4
115.02134	1.9
124.98798	2.2
125.70951	1.6
129.01912	1.6
142.99875	45.9
145.01395	3.9
146.45609	1.6
173.00909	100.0
174.01637	12.6
227.03384	2.3
247.02809	21.3
250.58337	1.5
255.02812	3.3
284.03134	2.4
317.01477	4.0
407.02621	3.3
407.09567	1.6
407.26752	1.5
410.56787	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	406.048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63344	1.0
57.03453	3.0
59.01381	22.6
61.98830	100.0
63.99261	1.1
69.26901	7.5
69.27306	2.8
69.92710	0.8
71.01377	9.4
72.01734	0.9
72.99300	1.8
73.02920	1.2
75.00851	1.5
79.93980	1.1
85.02950	3.6
87.00873	1.9
88.04022	1.0
88.16870	1.0
88.64092	0.9
89.02436	8.2
94.08527	0.9
94.96294	2.9
99.04531	1.7
99.92626	1.4
101.02439	6.7
102.02808	1.0
105.04855	1.1
112.32822	0.9
113.02441	4.3
115.00325	1.2
119.03491	3.5
128.16306	1.1
131.03445	1.0
134.03725	1.8
136.01656	3.2
137.02431	1.2
149.02484	1.3
149.05995	1.5
150.03157	3.1
151.04008	6.8
161.04565	1.7
161.35185	0.9
165.05557	2.7
175.02444	1.2
179.05562	1.8
181.05064	1.1
183.10156	1.4
183.24559	0.9
196.18768	1.1
208.99562	1.0
221.61871	0.8
238.61661	1.0
294.91864	1.0
315.05215	1.4
347.17093	1.3
381.45499	1.1
405.21527	1.5
406.21432	2.4
407.13391	1.7
407.18732	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	406.048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63344	1.0
57.03453	3.0
59.01381	22.6
61.98830	100.0
63.99261	1.1
69.26901	7.5
69.27306	2.8
69.92710	0.8
71.01377	9.4
72.01734	0.9
72.99300	1.8
73.02920	1.2
75.00851	1.5
79.93980	1.1
85.02950	3.6
87.00873	1.9
88.04022	1.0
88.16870	1.0
88.64092	0.9
89.02436	8.2
94.08527	0.9
94.96294	2.9
99.04531	1.7
99.92626	1.4
101.02439	6.7
102.02808	1.0
105.04855	1.1
112.32822	0.9
113.02441	4.3
115.00325	1.2
119.03491	3.5
128.16306	1.1
131.03445	1.0
134.03725	1.8
136.01656	3.2
137.02431	1.2
149.02484	1.3
149.05995	1.5
150.03157	3.1
151.04008	6.8
161.04565	1.7
161.35185	0.9
165.05557	2.7
175.02444	1.2
179.05562	1.8
181.05064	1.1
183.10156	1.4
183.24559	0.9
196.18768	1.1
208.99562	1.0
221.61871	0.8
238.61661	1.0
294.91864	1.0
315.05215	1.4
347.17093	1.3
381.45499	1.1
405.21527	1.5
406.21432	2.4
407.13391	1.7
407.18732	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01878	2.4
57.03451	5.1
58.00592	5.6
59.01381	100.0
60.01722	2.1
60.97544	1.0
61.98834	18.7
71.01384	64.6
71.05032	6.9
72.01714	1.8
72.99310	6.4
73.02951	6.2
74.02469	2.7
78.91891	2.7
78.95901	1.6
83.01407	3.3
83.05057	1.3
85.02957	15.7
85.03436	1.1
87.00858	5.5
89.02448	72.1
94.97960	0.9
95.01417	3.6
95.05070	1.1
95.93460	1.0
97.02961	1.7
98.19861	2.6
99.00893	2.7
99.05658	2.1
101.01775	2.2
101.02448	42.5
102.02799	1.3
102.05626	1.3
111.08186	5.5
113.02452	27.2
114.02810	1.3
119.03502	32.8
123.08208	2.3
125.06129	3.1
128.03543	8.7
130.06207	1.5
130.08766	1.4
131.03525	2.7
141.09195	1.6
143.03488	5.4
143.04662	9.0
149.04564	3.5
149.09747	1.9
151.11292	1.2
153.09145	1.2
159.03026	1.8
161.04573	10.0
163.11343	1.4
166.92659	0.9
167.08258	1.1
167.10802	1.4
178.09982	1.2
179.05669	10.8
180.28709	1.0
181.12395	3.5
189.12869	2.6
192.56813	1.0
198.06931	1.4
203.56444	1.0
207.13896	29.1
210.08884	2.2
219.92007	1.2
225.11392	1.0
225.14938	14.5
226.15271	1.3
243.16008	9.9
254.07884	4.5
272.08789	4.8
307.08337	1.5
387.20337	13.2
388.20407	1.3
405.21356	53.5
406.16592	3.9
406.21704	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01876	2.0
55.84340	1.0
57.03445	11.6
58.00592	4.9
58.02987	0.8
59.01379	100.0
60.01712	1.0
61.98831	13.1
69.80989	2.2
69.81402	2.7
70.18179	0.7
71.01383	65.9
72.99313	5.0
73.02948	5.0
73.39434	0.7
74.02485	4.7
78.60307	0.8
80.75714	0.8
83.01398	5.1
83.05029	1.2
85.02958	15.1
86.99448	0.8
87.00887	3.7
89.02442	77.4
90.02776	1.5
95.01383	5.1
99.00887	1.7
99.05650	2.0
101.02444	42.4
102.02777	1.4
102.05621	2.7
113.02449	29.3
119.03498	36.0
123.08216	1.9
125.06075	2.7
128.03545	13.1
129.10361	2.9
130.08748	1.8
131.03470	4.2
133.06934	1.8
135.05696	1.2
143.03503	5.6
143.04640	8.4
146.04582	2.7
149.04568	2.0
149.09747	2.8
153.06744	0.9
159.03008	0.9
161.04536	15.2
161.47618	0.8
167.08257	1.1
167.10765	7.1
179.05682	11.1
210.08870	2.6
210.29549	0.8
219.84380	0.9
243.15961	11.6
254.07846	6.1
257.09396	0.9
272.08890	6.1
277.15549	1.5
307.08096	1.0
388.15671	1.3
405.21362	54.5
406.16183	6.0
406.21579	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	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01871	1.3
57.03443	1.2
58.00589	2.3
59.01380	51.2
60.01710	1.0
61.98829	11.4
64.95213	0.5
69.22490	0.4
69.98933	1.3
69.99331	0.9
71.01382	57.2
72.01716	1.3
72.99308	2.7
73.02942	1.6
78.95879	0.6
80.96519	0.5
83.01360	2.4
85.02952	6.9
87.00874	2.2
89.02445	32.5
94.60787	0.5
95.01388	1.8
98.00683	0.8
99.00895	0.9
101.02446	19.6
102.02796	0.7
110.94041	0.7
113.01694	0.8
113.02449	12.3
114.05036	0.5
119.02641	0.7
119.03506	13.3
119.29237	0.4
127.11290	1.1
129.83421	0.5
131.03493	1.4
139.11259	1.1
143.03514	1.2
149.04613	0.5
153.12825	3.2
154.13042	0.5
160.06502	0.5
161.04562	1.4
179.05717	3.0
181.12326	1.2
199.13417	5.5
200.13632	0.6
207.13841	0.9
225.15009	2.4
228.10228	0.5
243.15900	0.9
304.63303	0.5
365.26746	0.5
387.20279	2.4
391.92438	0.5
405.21283	100.0
406.21640	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
57.03445	20.7
57.25544	1.8
58.00584	2.4
59.01379	88.7
61.98830	84.3
63.96236	4.7
63.99250	2.6
71.01382	32.8
71.38351	1.8
72.00913	2.1
72.15910	1.9
72.99292	3.7
73.01156	5.2
73.02950	21.4
73.04070	2.3
75.00869	1.9
77.48438	2.1
79.93967	15.7
79.95737	32.8
80.96517	14.5
83.01391	6.4
85.02944	13.5
86.86703	2.1
87.00880	5.9
89.02446	17.9
95.01375	2.3
95.93472	3.0
96.96030	3.0
97.02962	3.5
99.00887	9.1
99.04534	11.8
101.02440	27.5
101.07224	2.7
109.06519	2.2
113.02457	14.5
115.00381	3.3
119.03500	6.4
120.97881	27.6
125.02462	7.0
125.09678	2.8
127.05128	6.9
128.03580	2.8
130.08737	18.7
132.04648	2.3
134.03729	4.5
139.07597	2.9
139.11284	10.6
145.06206	3.2
147.04549	6.2
149.06003	2.2
153.09268	3.3
154.98465	7.0
155.14404	2.2
161.04556	4.6
163.11223	3.8
164.07159	17.4
167.10823	2.3
175.02507	3.5
179.05592	3.3
180.10367	3.8
181.12349	13.2
183.10245	15.2
183.13809	2.9
193.04994	3.5
199.13379	43.2
199.18202	3.7
200.13783	4.8
201.11424	2.7
205.05222	2.2
207.10248	8.0
222.12415	5.0
225.05545	3.8
225.11299	17.6
231.12448	10.2
243.12350	100.0
243.16069	5.0
244.12622	5.6
255.02943	3.2
256.20218	3.1
271.02527	2.8
275.10300	2.6
285.07523	4.4
285.13464	11.1
314.98471	3.9
342.20212	2.6
345.15643	6.6
346.16507	3.8
361.18530	12.4
387.24030	3.7
388.18939	10.9
388.23288	2.4
405.16565	17.5
405.21234	10.6
405.25885	25.0
406.08942	3.7
406.19070	32.7
406.23880	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
51.53675	1.2
56.82450	1.0
57.03450	1.1
58.00578	2.4
59.01384	56.9
61.98834	51.8
64.95259	2.2
69.03445	1.4
71.01384	50.3
71.61725	1.6
72.01704	1.1
72.99309	4.8
73.01167	2.3
73.02951	2.8
78.95910	1.8
79.95730	3.0
80.96523	1.8
83.01405	2.1
85.02939	5.8
87.00865	2.9
89.02450	34.6
93.03448	3.7
95.01387	2.4
99.00865	1.4
101.02446	24.6
107.01405	1.5
113.00718	1.3
113.02444	12.7
115.03944	1.0
119.03509	17.7
125.02423	3.1
127.11310	1.4
131.03577	1.2
143.03525	1.2
149.04555	1.3
151.00325	3.0
152.96806	1.8
153.12880	6.5
159.01221	8.5
161.04628	2.6
164.07138	1.1
171.10144	1.1
174.01714	1.3
179.05597	4.5
199.13458	5.4
207.13589	1.1
225.14886	6.5
242.05801	1.7
243.06601	2.5
248.22900	1.0
387.19958	1.3
404.82159	1.0
405.21283	100.0
406.21625	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	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74036	4.2
57.03444	14.6
59.01382	67.5
61.98833	60.3
64.95258	5.8
71.01380	22.0
71.61259	6.5
79.93947	7.3
79.95743	100.0
80.96518	28.2
82.13718	3.7
83.01402	4.4
83.17486	4.0
84.75294	4.0
85.02940	15.3
87.00890	5.5
89.02462	8.2
89.17204	3.4
96.95996	5.3
99.04530	8.9
101.02450	14.8
108.34195	3.7
112.98914	5.1
113.02454	6.8
120.97903	9.5
121.31700	3.9
126.84515	4.2
142.99962	6.1
152.96837	21.8
154.98390	7.5
161.04533	5.7
179.01971	5.6
192.96649	4.1
211.05949	4.5
224.97270	6.0
226.98793	7.4
243.12366	4.9
290.36453	4.4
314.98492	16.4
315.99197	6.3
326.90433	4.2
388.37451	4.7
405.16409	4.4
405.25201	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	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03443	1.5
59.01381	27.7
59.93576	0.4
61.98832	3.2
69.55270	0.3
71.01382	3.4
71.99083	0.4
73.02946	2.4
79.06769	0.4
79.95747	0.9
83.01397	0.7
85.02955	1.7
89.02448	1.9
92.52381	0.4
99.00896	0.6
101.02440	2.2
113.02453	1.8
119.03506	0.9
129.05551	0.6
130.08736	0.7
139.11295	18.5
140.11629	1.1
161.04582	0.6
163.11281	1.2
165.09189	0.8
181.12340	10.2
182.12686	0.9
183.10269	24.1
184.10616	1.7
199.13409	8.5
200.13792	0.5
205.35530	0.4
207.10320	0.7
225.11293	7.2
226.11681	0.7
243.12366	100.0
244.12698	8.1
249.11462	1.0
255.03000	0.4
285.13464	3.1
361.18674	0.6
405.17422	5.9
406.18701	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	404.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44046	0.5
59.01380	6.3
61.98833	100.0
63.63041	0.6
64.83501	0.5
66.90435	0.6
69.91960	0.6
70.61827	0.6
70.62159	1.3
71.01383	5.7
72.99336	0.5
73.02963	0.7
73.04082	0.6
74.02491	0.6
78.95921	2.5
85.02957	1.7
87.00853	0.6
89.02457	4.4
94.06645	0.7
95.01422	0.5
95.15113	0.5
101.02460	3.3
101.57379	0.6
113.02454	2.0
117.03482	2.1
119.03519	1.6
121.05341	0.9
122.06104	4.7
128.03593	0.5
130.08714	0.6
133.02969	3.3
134.04816	0.8
135.04527	1.7
145.02945	6.4
153.04301	0.8
161.02444	21.9
162.02802	1.4
163.03998	0.9
179.03540	4.6
179.05637	0.8
201.27852	0.5
245.13023	2.5
288.27451	0.5
289.11835	2.8
299.87350	0.6
311.24277	0.6
311.70673	0.6
324.09573	0.9
333.11023	1.2
341.08765	8.5
342.09338	0.9
374.83267	0.6
404.22110	1.1
405.21771	0.7
406.66022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.34296	2.3
95.33816	0.2
120.52756	0.2
149.04483	0.3
188.77728	0.2
203.43480	0.2
214.80722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42724	1.3
59.01379	5.2
61.98833	100.0
69.46811	10.8
71.01389	2.7
73.01145	2.3
73.02937	6.6
74.74267	1.1
79.03000	1.5
79.95744	6.3
87.04507	4.7
89.00673	1.5
96.96001	2.6
97.24767	1.3
98.19795	2.7
101.02482	1.8
106.83602	1.2
144.39561	1.4
147.04807	1.6
152.96829	1.5
179.57585	1.3
296.08246	1.4
382.18600	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	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74036	4.2
57.03444	14.6
59.01382	67.5
61.98833	60.3
64.95258	5.8
71.01380	22.0
71.61259	6.5
79.93947	7.3
79.95743	100.0
80.96518	28.2
82.13718	3.7
83.01402	4.4
83.17486	4.0
84.75294	4.0
85.02940	15.3
87.00890	5.5
89.02462	8.2
89.17204	3.4
96.95996	5.3
99.04530	8.9
101.02450	14.8
108.34195	3.7
112.98914	5.1
113.02454	6.8
120.97903	9.5
121.31700	3.9
126.84515	4.2
142.99962	6.1
152.96837	21.8
154.98390	7.5
161.04533	5.7
179.01971	5.6
192.96649	4.1
211.05949	4.5
224.97270	6.0
226.98793	7.4
243.12366	4.9
290.36453	4.4
314.98492	16.4
315.99197	6.3
326.90433	4.2
388.37451	4.7
405.16409	4.4
405.25201	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	403.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.3
57.03210	1.3
57.03445	11.1
58.00595	3.3
59.01382	68.1
61.64349	1.0
61.98834	71.4
71.01387	100.0
71.05069	0.8
71.60746	1.5
72.01714	1.9
72.99296	5.1
73.01177	2.3
73.02950	20.9
75.00829	1.7
78.95904	1.5
79.95734	6.9
80.96514	4.4
81.03458	1.2
81.95338	1.7
83.01392	6.8
83.05042	2.0
85.02958	36.3
86.03271	1.4
87.00891	8.5
87.04518	4.8
89.00667	1.7
89.02450	49.7
90.02773	1.6
95.01390	6.7
95.05007	1.1
97.02953	2.4
97.06592	4.7
98.03757	1.5
99.00871	7.6
99.04502	5.7
101.02451	54.8
102.02805	2.0
104.98393	6.8
106.97968	7.8
107.05025	1.2
109.02947	3.0
113.02451	38.6
113.03241	2.1
114.02782	1.2
119.03510	23.4
119.08675	2.3
121.06580	1.3
123.08178	5.5
125.02455	1.9
125.06089	3.6
129.01933	1.3
135.08165	1.7
137.09691	3.0
138.06856	1.2
139.07692	1.4
141.09229	5.7
142.65913	1.0
143.03502	4.2
149.04564	1.4
149.06113	1.3
149.09717	4.0
151.07642	2.8
151.11275	2.2
153.09200	2.2
159.02989	5.5
159.06631	1.7
161.00627	1.2
161.04570	31.4
161.05972	1.4
161.09721	77.0
162.04933	1.7
162.10054	6.0
163.11241	3.0
164.07191	1.7
164.08418	9.4
165.09204	25.7
166.09666	1.7
168.07706	1.0
170.97758	2.3
175.02512	1.2
175.07635	9.5
177.12825	9.6
178.06367	1.9
178.09993	4.4
179.05618	1.3
179.10780	64.1
180.11169	4.8
181.08598	1.1
187.11287	4.2
187.94489	1.2
188.95319	1.0
189.09169	3.2
190.10023	7.3
191.10777	9.6
205.03558	1.2
205.12337	89.2
206.12669	9.4
208.11035	4.3
215.15523	1.1
221.11743	1.4
223.13402	99.6
224.13777	10.0
241.10738	2.2
328.69492	1.1
381.49240	1.1
385.18161	1.7
402.99988	3.3
403.15414	1.9
403.19934	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	403.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03449	29.7
58.00584	1.1
58.03786	0.7
59.01385	6.4
60.99275	0.4
61.98827	2.2
67.98764	0.3
69.03450	1.8
69.56362	2.4
71.01385	20.4
71.05013	0.8
71.50370	0.3
72.01739	0.5
72.02154	0.7
72.99326	0.3
73.02949	10.7
73.30636	0.3
81.03452	1.0
83.01387	2.1
83.05032	2.5
85.02956	8.0
85.06575	1.0
87.00883	1.1
88.57056	0.3
89.02441	1.5
95.01382	1.5
95.05032	1.1
97.02962	0.7
97.06581	1.4
98.03747	1.6
99.00898	2.0
99.04522	4.9
101.02450	11.0
101.06077	0.7
104.98407	0.6
106.97960	1.1
107.05027	0.4
109.02926	0.3
109.06590	1.5
110.53341	0.3
113.02454	8.1
113.06089	16.6
114.06477	0.7
119.03466	0.3
121.02954	1.8
121.06578	1.2
122.03759	0.4
123.07326	0.6
123.08165	5.6
125.06110	1.8
125.09700	1.0
129.01947	0.4
135.08177	2.7
137.06142	2.0
137.09727	15.2
138.10091	0.8
139.07643	2.1
141.09225	8.8
142.09560	0.6
143.03508	0.7
147.08188	2.0
149.06068	1.2
149.09723	1.7
150.06799	0.7
151.07646	1.8
151.11324	3.2
153.09218	14.8
154.09537	0.7
159.03030	1.8
161.04565	8.1
161.05913	0.5
161.09727	2.8
161.13332	0.5
162.04961	0.6
163.10011	0.6
163.11292	8.4
164.11656	0.6
165.09207	19.8
166.09509	1.5
167.07054	0.4
170.97675	0.4
171.08157	1.1
175.07629	5.6
175.11215	0.8
176.08307	1.0
177.09216	0.4
177.12856	7.9
178.09990	0.8
178.13179	0.5
179.10756	3.0
181.12297	1.2
185.09760	0.6
187.11281	14.0
188.11603	1.1
189.09193	1.9
190.10019	3.5
191.10414	0.4
193.12349	4.5
194.12694	0.5
195.13914	1.8
197.11839	0.4
205.12329	39.8
206.12697	4.0
208.11040	4.9
223.13391	100.0
224.13730	10.1
241.14427	2.8
285.42599	0.4
395.56012	0.4
403.19690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
57.03444	8.5
58.00611	4.9
59.01379	100.0
60.01702	1.8
61.98830	74.0
69.03461	2.4
69.45229	1.0
71.01382	91.9
72.01714	2.6
72.99303	8.5
73.02954	12.1
73.04057	2.0
74.02467	2.6
75.00864	3.2
78.95897	2.9
79.95720	1.3
83.01385	10.3
83.05031	2.6
84.02141	1.1
85.02953	30.0
86.02460	1.1
86.03264	1.5
87.00877	21.4
87.04523	1.1
89.02445	82.8
90.02766	1.8
90.91891	0.9
95.01387	6.0
95.04987	1.3
97.02942	1.8
97.06561	2.9
99.00858	5.9
99.04555	1.3
99.05630	2.3
101.02446	58.0
102.02777	1.4
102.36810	0.9
103.05147	2.5
110.02446	1.4
111.00861	1.5
113.02448	33.1
113.06079	2.3
114.02785	2.5
119.03504	28.4
120.01247	1.8
123.08146	2.4
125.02414	1.6
125.06078	1.2
125.07069	1.2
127.05137	3.0
127.07641	1.4
128.03522	5.7
129.01927	2.6
130.08733	8.0
131.03506	3.5
135.08232	1.1
137.09711	5.8
139.07600	1.4
141.06613	1.1
143.03477	4.9
143.04602	7.6
149.04494	2.6
149.09694	2.2
151.07664	1.7
151.11310	2.2
153.09213	3.4
153.12778	1.8
159.02959	4.0
161.04561	15.1
161.09711	7.1
163.11237	4.3
165.09180	5.5
175.02385	1.6
175.07492	1.2
177.03378	1.0
177.12805	2.9
178.08684	1.6
179.04341	1.0
179.05673	14.8
179.10742	5.5
181.06131	1.2
181.12299	1.6
185.16553	2.0
187.11272	2.6
190.09950	1.3
191.10703	1.6
193.12329	1.4
205.12338	14.7
206.12723	1.6
208.11095	1.3
211.13312	5.8
223.13394	21.8
224.13631	3.0
229.15536	2.2
241.14455	64.0
242.14893	4.9
242.18695	2.3
254.07771	1.9
272.08856	3.5
306.07654	5.9
313.16547	5.2
343.20239	1.1
355.19751	1.7
373.20749	6.1
386.13504	1.3
386.18576	1.3
403.19681	82.4
404.16049	1.1
404.20084	11.5
413.89578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
68.52906	25.1
84.85966	28.4
99.46336	25.0
107.91467	26.5
146.96585	30.5
411.78049	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56406	0.5
57.03443	0.8
59.01379	50.0
60.01715	0.7
61.67082	0.5
61.93145	0.6
61.98833	15.0
70.90282	1.1
71.01384	9.4
73.02959	0.8
82.87410	0.5
90.75708	0.6
95.65571	0.5
99.04504	1.1
115.00385	8.7
132.04582	1.1
133.01410	3.2
141.15303	0.6
148.05264	0.9
158.02473	1.0
160.03972	1.1
165.12901	1.0
173.62083	0.5
176.03542	1.3
190.05106	2.5
197.11884	0.7
207.13908	2.6
209.11807	4.5
211.12395	0.9
224.09586	1.1
225.14874	2.9
227.12874	28.6
228.13243	2.2
239.11928	3.6
241.10097	0.6
251.12909	1.4
253.06157	2.1
255.07767	0.6
267.07901	0.8
268.08542	1.3
269.13934	6.1
283.10916	7.2
287.14999	100.0
288.15314	10.1
309.08829	2.4
327.09888	7.9
328.10092	1.0
341.11862	0.6
359.12500	0.7
371.08762	4.0
382.13440	0.6
402.21735	0.6
403.11395	14.1
403.15710	0.5
403.23657	1.3
404.11716	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	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03442	4.5
58.00588	1.8
58.34631	0.6
59.01380	47.3
61.98830	84.8
62.85403	0.7
63.85085	0.7
68.99822	0.7
69.03466	1.7
71.01384	27.0
71.05009	2.4
72.34835	0.7
72.64034	0.7
72.99308	2.6
73.02945	8.0
74.02484	0.9
75.00856	1.5
78.95869	1.2
79.95737	1.4
83.01380	3.8
84.42809	0.6
85.02957	9.1
87.00857	2.5
87.04502	0.8
89.00663	1.4
89.02444	18.3
91.01870	0.9
92.19907	0.7
95.01388	2.4
97.06577	0.9
98.20643	2.8
99.00874	2.8
99.04506	1.0
101.01780	1.0
101.02442	20.6
107.05064	0.7
109.02959	1.9
109.06573	0.8
111.00860	0.8
112.48877	0.7
113.02441	9.7
115.00395	1.0
119.03486	7.3
123.04565	1.5
123.08157	5.1
125.02380	1.0
126.99741	0.9
131.03531	1.1
132.04495	0.9
136.01671	1.3
137.09738	1.4
141.09248	1.3
145.03062	1.0
148.05339	3.3
151.03998	2.0
151.07573	0.7
151.11308	0.9
153.09242	2.0
158.03720	1.9
159.03123	0.8
159.04529	2.1
161.04564	3.9
163.11292	2.1
165.09261	0.9
167.10782	1.1
168.05948	0.7
173.05984	1.7
176.03619	0.8
179.10814	0.8
179.14429	3.6
189.99358	1.5
190.05148	0.9
193.12312	0.9
197.11868	1.6
205.12315	3.0
215.11960	0.7
223.13373	21.1
224.09488	1.1
224.13632	1.5
226.07402	0.8
230.35133	0.8
239.11905	1.5
241.10777	1.6
241.14423	8.1
251.05598	1.1
253.06290	1.0
255.07797	0.7
255.11243	0.8
266.05844	0.8
267.06589	1.8
281.08145	1.7
282.08786	1.1
283.10843	4.9
285.08508	0.7
297.11282	1.9
306.07718	0.9
309.08682	0.9
327.09915	4.5
341.74142	0.7
359.17029	1.0
371.08905	5.8
385.18576	2.7
403.11154	5.0
403.19641	100.0
404.11798	1.1
404.19934	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	402.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18077	0.7
59.01378	5.6
61.98831	100.0
70.40526	3.1
71.01396	2.1
74.06472	0.7
79.93971	2.8
79.95714	1.1
83.01351	0.9
98.40340	0.7
101.02427	0.8
104.05048	0.7
115.00372	1.3
116.83493	0.9
122.99463	3.8
145.39787	0.8
147.03258	0.8
152.96913	1.4
154.99908	1.5
175.02507	1.2
190.05182	1.7
239.11978	2.1
283.10904	3.7
309.08917	1.4
327.09897	4.6
370.60535	0.9
371.08859	6.0
403.11682	1.9
403.19962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03450	7.5
59.01381	43.9
60.01716	1.0
61.98831	100.0
66.42057	0.6
69.27173	2.3
69.27596	4.9
71.01380	15.7
72.01719	0.9
72.22869	0.7
72.99339	1.0
73.02956	4.0
79.35598	0.7
79.93965	5.1
83.01398	3.1
83.05006	1.5
85.02955	5.7
87.00871	1.4
89.02446	8.3
95.01368	1.0
98.03824	0.8
99.04530	2.5
101.02444	9.7
102.02782	1.1
113.02468	4.6
113.06101	2.8
114.02797	1.3
115.25178	0.7
118.95051	0.7
119.03513	2.7
119.08685	1.4
121.02989	0.7
121.06555	1.1
122.99464	5.9
123.08154	1.3
128.74612	0.8
135.08138	1.3
137.09737	4.6
141.09193	1.2
151.11243	0.8
153.09206	2.6
161.04527	2.3
161.09688	2.1
163.11285	1.2
165.09206	3.0
175.07762	0.8
177.12862	3.1
178.13176	1.2
179.10823	2.8
181.08713	5.6
187.11226	1.5
193.12326	1.3
197.11829	24.5
205.12323	5.6
208.11066	1.2
221.11865	1.1
223.09799	2.6
223.13391	18.6
228.29765	0.8
229.19089	0.7
241.10811	48.7
283.11655	1.5
298.53403	0.7
347.99600	0.8
387.10950	1.2
401.18210	4.5
402.13693	1.3
402.18454	30.3
402.23804	1.4
403.11490	0.9
403.15720	2.2
403.19266	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	402.0535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32513	0.6
55.01904	0.6
57.03448	9.1
59.01382	37.9
60.01720	1.4
61.98833	100.0
66.69130	0.7
68.01653	0.7
69.53886	4.6
71.01384	14.4
72.01689	0.6
72.99308	0.8
73.02969	4.3
79.05500	0.7
79.93970	5.1
81.74270	0.6
83.01389	1.9
83.05064	1.0
84.01720	0.7
85.01662	0.7
85.02966	5.0
85.06518	0.8
87.00889	1.3
89.02462	6.2
95.01408	0.8
98.20575	1.4
99.00900	1.5
99.04538	2.2
101.02448	8.3
102.02784	1.3
105.12966	0.6
111.04578	0.7
113.02439	4.5
113.06099	3.1
119.03526	2.3
119.08683	1.0
121.03001	0.7
122.99441	5.9
123.08170	1.5
130.08748	1.0
135.08124	1.1
136.04112	0.6
137.09743	4.2
141.09230	2.0
151.11250	1.1
153.09203	3.8
159.03096	1.2
161.04567	2.7
161.09705	2.1
163.11336	1.9
165.09235	4.3
171.83298	0.8
175.07693	0.8
177.12836	2.1
179.10808	3.0
181.08719	5.1
187.11308	2.4
193.12280	1.1
197.11836	19.8
205.12335	7.8
222.12091	0.7
223.10083	3.5
223.13373	23.5
241.10818	43.8
248.12587	0.7
283.11749	1.0
387.11066	1.0
388.75250	0.8
401.18137	4.4
402.18494	23.0
402.23788	1.3
403.15399	1.2
403.19336	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	401.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55403	3.7
55.00322	4.0
57.57885	3.7
59.01375	22.9
59.77040	4.3
61.98831	100.0
71.61098	6.5
79.95734	6.0
80.96449	4.5
81.09052	4.1
83.62762	5.7
96.96033	6.1
97.06584	5.3
121.02974	25.6
122.03297	12.8
126.95187	11.2
142.99921	4.4
187.09753	4.6
211.13425	5.9
239.06746	4.6
327.21741	18.8
329.23325	11.0
372.20020	4.6
402.09225	11.2
402.20477	5.6
402.73828	4.4
403.19333	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	402.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01379	9.6
61.98829	100.0
71.01382	4.2
73.01165	1.0
73.02938	1.0
75.00880	0.7
79.93954	2.8
79.95730	0.8
83.01403	0.7
85.02969	1.7
87.00861	1.0
89.02438	3.2
95.01414	0.6
99.00868	0.9
101.02449	2.1
104.98396	1.3
104.99291	0.5
109.03033	0.6
113.02433	1.7
115.00373	1.5
119.03544	0.8
122.99462	3.9
132.04559	0.8
141.09174	0.6
175.02518	2.2
190.05069	0.7
223.13571	1.0
246.23434	0.6
253.06320	0.7
283.11118	1.9
285.13675	1.1
327.09717	3.5
371.08835	2.9
387.13480	0.6
402.18408	9.4
402.23044	0.7
403.11554	2.6
403.19678	1.9
403.23972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.5
59.01383	33.3
61.28537	1.7
61.98821	4.5
69.55042	12.7
71.01386	60.8
72.99273	1.7
73.01174	7.3
73.02941	4.9
73.04076	28.4
74.02473	3.7
75.00861	2.4
83.01376	1.8
85.02955	11.2
86.03286	1.9
87.00858	8.4
87.64195	1.5
88.04041	39.6
89.00681	7.8
89.02457	15.3
99.00890	5.6
101.02444	10.6
104.98402	7.6
109.02966	2.7
113.02461	10.8
115.00378	58.7
115.08778	17.8
116.07182	11.8
119.03498	5.2
123.08167	2.1
125.07202	3.1
128.03520	3.6
129.10361	3.8
132.03032	25.2
135.04510	2.5
139.08739	2.9
141.06711	2.3
141.10365	2.8
143.04652	3.2
143.11908	5.1
150.07959	2.8
151.07632	7.6
151.08778	2.3
153.01888	2.1
159.03014	3.4
161.04550	6.7
161.05977	3.3
161.09731	3.8
163.07646	6.3
165.09196	5.5
167.05786	3.5
167.10635	2.9
169.09831	11.4
174.01717	17.9
175.02478	33.9
177.09210	3.2
177.12802	1.7
179.10803	6.0
185.16628	3.7
186.12474	6.5
187.10889	3.2
188.08435	2.7
189.07005	3.1
193.13478	13.3
194.11934	2.4
203.10782	22.6
204.11125	2.4
206.09447	5.9
210.16129	33.2
211.16431	2.7
221.11839	39.2
222.12231	3.0
228.17181	15.9
243.77716	1.8
256.20407	2.8
263.02295	9.2
267.18268	59.9
268.18677	3.6
273.08923	1.9
285.19315	51.0
286.17609	36.5
287.18085	3.3
300.02789	2.1
337.04190	4.3
341.10892	2.6
357.21405	20.1
383.19360	2.9
401.04639	3.0
401.20441	100.0
402.20773	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	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
52.21197	0.5
55.01873	2.6
55.74666	0.5
57.03448	3.9
58.00578	2.1
59.01381	30.7
60.01727	0.5
61.98829	24.7
70.73908	1.4
71.01381	25.4
72.99306	2.1
73.02946	7.3
75.00880	0.6
83.01389	5.0
85.02950	10.8
86.00097	1.2
87.00861	1.6
89.00606	0.5
89.01912	0.8
89.02445	11.5
95.01385	2.1
99.00861	2.3
101.02446	20.3
111.72546	0.5
113.02444	7.9
119.03501	3.2
122.99442	1.7
123.08169	3.3
130.08670	0.5
131.03534	0.8
139.00409	0.6
148.25438	0.5
149.02394	0.7
152.96872	0.7
161.04504	1.8
161.09706	0.6
164.04779	1.0
167.43852	0.5
175.02521	0.6
177.12814	4.8
179.05742	0.7
179.07231	0.6
187.97333	0.5
195.13855	3.1
221.11784	3.8
247.02614	0.9
285.17340	0.6
348.07516	0.6
359.13406	0.8
401.18137	100.0
402.18451	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	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
55.04269	1.8
56.99163	1.8
57.03220	1.9
57.03450	19.7
58.00592	2.5
58.32949	1.4
59.01095	3.1
59.01380	53.9
61.98832	8.0
64.24220	1.7
70.91277	3.6
71.00989	3.1
71.01385	63.5
72.99318	2.6
73.01171	7.2
73.02944	10.9
73.04064	12.3
74.02480	2.0
75.00879	3.3
79.31474	1.4
83.01368	3.7
83.05013	1.9
85.02960	17.5
87.00863	10.9
88.04043	23.9
89.00665	13.9
89.02437	25.4
95.01366	2.5
97.02915	1.9
98.02490	2.0
99.00893	9.1
101.02448	22.2
104.98383	4.6
107.05087	1.7
108.02218	2.2
109.02980	2.7
113.02441	17.7
114.05592	2.2
115.00374	39.4
115.08759	12.8
116.00693	2.5
116.07198	8.4
117.31734	1.9
119.03503	7.3
123.04472	1.9
123.08165	6.1
124.07655	3.0
125.02425	1.8
125.07201	3.3
128.03607	2.0
129.10382	2.4
132.03046	12.2
135.04454	4.4
135.08141	4.8
141.06696	2.7
141.10196	1.9
143.03525	2.7
143.11880	3.0
149.09691	2.3
149.99706	1.8
150.08020	1.5
151.07628	17.3
152.01199	3.4
159.03011	4.5
159.08147	2.8
161.04546	11.9
161.06047	10.4
161.09732	10.8
163.07655	12.5
165.09166	6.7
167.10583	2.9
169.09808	5.6
173.09787	2.2
174.01678	20.8
175.02477	48.9
175.11324	1.9
176.02727	3.4
177.09177	12.4
179.10776	17.2
185.16563	3.2
186.12370	2.7
187.07690	2.9
187.10817	3.1
188.08423	7.4
189.07042	4.9
189.08737	2.1
193.13496	5.1
203.10776	51.1
204.11096	3.8
206.09467	21.8
210.16127	18.6
215.05655	3.2
221.11827	100.0
222.12154	8.7
228.17154	6.5
247.02771	3.0
250.99442	1.8
256.20261	1.9
263.02332	12.4
267.18216	27.6
268.18509	3.2
285.19327	24.3
286.17554	18.0
292.96432	1.7
309.14478	1.6
337.04114	5.1
341.10797	3.4
357.21503	9.5
371.22650	2.5
383.19339	4.6
401.11761	2.5
401.20401	53.4
402.20670	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	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99947	1.7
55.01878	2.3
56.16440	1.8
57.03223	2.4
57.03453	27.0
58.00573	3.1
59.01380	83.0
60.01698	1.9
60.27916	2.0
61.98831	14.5
68.99824	2.0
69.03440	2.2
71.01387	78.1
71.60197	2.8
72.01725	3.6
72.97507	2.3
72.99310	11.1
73.01173	14.3
73.02950	16.9
74.02492	14.0
75.00865	7.0
79.95745	43.8
80.96516	17.4
83.01378	5.8
85.02955	32.0
87.00871	15.8
87.05670	2.2
88.04037	6.9
89.00670	10.6
89.02444	38.1
95.01382	7.9
95.05039	3.5
96.00909	9.5
97.02966	5.6
98.02481	2.9
99.00892	19.9
99.05637	2.7
99.92583	6.3
101.02444	39.4
104.98390	12.8
109.01685	3.8
112.98789	2.7
113.02449	35.6
114.02723	2.0
114.05568	4.9
115.00368	30.1
115.08772	4.2
115.92010	3.6
119.03500	14.5
119.04945	2.4
119.08636	1.9
121.03012	2.3
121.06589	3.1
123.04530	2.7
123.08192	9.9
124.02252	7.2
127.05137	3.8
128.03525	7.8
129.01994	2.7
129.10312	5.5
130.08786	2.7
131.03455	3.4
135.04523	8.6
135.08168	4.1
137.06065	5.2
139.08713	2.8
143.03508	4.4
143.04585	5.7
143.95160	2.5
148.05309	2.7
151.07658	31.5
152.01785	11.8
152.96837	2.2
159.02956	7.6
160.08983	2.6
161.04561	20.2
161.09700	10.3
163.07657	27.5
164.04861	3.4
164.08156	2.2
165.09178	11.3
169.09848	2.3
172.10902	5.4
174.01698	32.0
175.02490	62.8
175.11214	2.9
177.09227	12.0
179.05568	5.4
179.07101	4.5
179.10782	22.0
184.04498	2.0
185.94829	9.9
186.95624	2.1
188.08426	15.5
189.07013	7.2
189.08629	2.1
200.14030	2.8
203.10780	73.5
204.11113	5.3
210.07669	3.8
221.11829	100.0
222.12148	8.0
239.12944	4.3
263.02371	20.3
264.02817	2.3
267.09802	3.1
271.02466	5.5
272.02921	3.2
300.02753	3.8
301.03400	4.8
302.03708	3.5
337.04260	5.8
341.10883	8.3
357.21304	7.3
366.16653	14.9
371.18973	2.3
383.19086	3.4
401.00296	30.3
401.04794	3.5
401.18533	9.0
402.00537	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.3
57.03449	7.8
58.00578	1.3
59.01381	29.7
61.98830	37.5
63.02775	1.1
69.49017	8.6
71.01385	24.2
71.05015	1.2
72.99311	1.5
73.01157	1.9
73.02953	15.4
75.00868	1.1
77.96983	0.9
79.04895	0.9
79.93990	2.1
79.95716	1.9
80.18437	1.1
81.03456	1.2
83.01390	5.1
85.02946	14.0
85.06569	1.1
87.00901	1.3
87.04520	1.8
89.00679	1.1
89.02447	9.4
94.96294	1.1
95.01396	2.5
95.05035	2.7
97.02956	1.6
98.20580	1.6
99.00871	1.6
99.04534	4.5
101.02444	18.7
104.98386	37.0
109.06598	7.8
113.02482	8.1
118.41521	0.9
119.03496	2.4
121.02971	1.9
121.06615	1.5
122.99468	1.8
123.04527	1.3
123.08151	4.5
125.02468	2.3
125.06066	1.1
135.08162	1.8
137.09724	72.4
138.10056	5.7
139.07681	1.1
147.08156	3.2
149.09779	1.3
151.00372	2.1
151.07588	1.5
151.11314	1.7
152.96870	7.2
153.09299	1.2
161.04575	2.7
161.09686	3.0
163.07637	1.5
164.08447	2.4
165.09232	5.1
167.10757	2.2
168.98192	12.0
170.07393	3.9
174.56055	1.2
177.12833	7.8
179.10762	20.5
181.08733	9.0
188.08398	2.0
195.13943	3.8
203.10753	9.2
204.88106	1.2
216.21976	1.1
221.11813	31.3
222.12132	1.5
239.12859	5.1
341.77945	1.1
401.00433	2.1
401.18155	100.0
402.11453	1.0
402.12997	1.3
402.18399	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27903	0.9
54.66059	0.9
55.01883	2.5
57.03451	3.6
58.00592	2.9
59.01381	100.0
59.54616	0.9
61.98829	3.9
69.03447	2.7
70.24726	3.8
70.99609	0.8
71.01384	68.4
72.01753	1.3
72.99297	4.8
73.01186	2.3
73.02949	43.6
74.02495	1.0
75.00863	1.7
79.95741	8.7
80.96503	1.6
81.03472	2.3
83.01396	14.8
85.02954	15.1
87.00872	5.1
87.04517	3.4
89.00666	2.9
89.02444	24.6
95.01377	5.5
95.05026	3.3
96.96024	1.7
97.02939	2.7
98.02437	1.2
98.19996	0.9
99.00883	4.2
99.04538	1.9
101.02444	45.2
104.98389	10.4
113.02453	27.1
115.00383	1.2
119.03509	9.3
121.02953	3.2
123.04590	4.7
125.02465	8.7
129.10367	5.1
130.08727	4.1
131.03535	2.3
137.02457	2.2
143.03528	1.3
143.11888	2.4
149.00983	2.0
149.02428	18.6
149.04405	1.7
151.03860	1.0
152.96869	2.6
161.04530	5.9
164.04800	24.3
165.05115	1.3
167.03485	13.4
168.98267	2.4
169.09831	1.3
175.02472	3.5
179.05673	2.4
179.07118	41.2
179.10658	1.3
180.07460	3.2
182.05840	2.3
184.99161	0.9
185.94797	1.9
187.10851	1.9
195.10249	1.3
197.04533	2.7
197.08156	2.3
200.14116	1.1
221.11740	2.1
225.99481	1.2
239.09201	7.1
240.09471	1.5
251.09108	1.6
281.10297	30.3
282.10678	2.8
311.11441	6.3
341.12497	13.5
357.21466	6.8
358.21497	1.0
359.13458	4.5
366.16660	1.7
371.22928	2.1
400.99908	3.2
401.14105	2.1
401.18442	3.4
401.24057	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	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	56.9
69.93650	29.7
71.01388	45.8
84.50829	7.3
87.00880	24.4
89.02438	61.2
98.20575	5.7
101.02445	17.3
113.02440	24.1
116.18281	6.0
119.03484	19.6
130.92397	5.8
140.85750	7.3
143.03531	6.5
149.04555	11.2
161.04578	9.5
179.05637	30.1
201.18343	6.4
269.92175	8.1
270.01224	6.1
272.08774	8.3
317.18420	6.5
333.64484	6.3
341.10867	100.0
342.11188	9.5
373.84213	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89667	1.7
57.03453	2.6
57.05221	1.7
59.01380	100.0
61.98838	13.2
66.03466	2.0
67.80601	2.1
69.29854	16.9
70.72243	1.6
71.01384	34.8
72.99285	3.7
73.02959	14.4
73.04053	2.6
75.00874	3.8
79.95741	4.2
83.01378	7.5
85.02981	8.7
87.00853	3.1
87.05643	3.2
88.04045	2.6
89.00676	3.4
89.02437	22.3
90.96030	2.0
95.01392	3.3
96.00916	4.3
98.02449	3.0
99.00874	3.0
101.02438	23.6
104.98360	3.9
113.02461	15.9
113.03194	2.0
113.03542	1.8
115.00432	4.3
116.07172	2.8
119.03487	6.7
119.04974	11.4
128.03552	4.1
129.10361	2.4
130.08714	3.9
143.03528	2.6
143.11821	2.0
145.02930	3.9
149.02406	7.2
149.09686	2.2
151.02208	2.1
155.11952	2.0
155.36389	1.9
161.04510	7.3
164.04755	6.7
175.02440	4.3
177.09181	7.0
179.05753	3.0
179.07108	9.8
200.14134	2.6
221.11839	5.3
239.12772	3.8
250.36110	1.8
281.10352	10.9
299.11282	2.2
309.14395	3.6
341.11426	7.2
357.21622	2.0
359.13342	4.0
366.16721	5.9
383.19189	5.2
401.19873	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	401.0877
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
54.30939	0.4
71.60120	0.7
77.03999	0.4
116.38759	0.4
121.02959	100.0
122.03300	4.0
128.04289	0.4
180.05786	0.8
181.06580	6.6
182.06921	0.9
182.15189	0.4
182.84906	0.4
209.04567	0.8
225.05577	6.4
226.05919	0.8
246.01294	0.5
313.07162	29.3
314.07477	3.9
336.98511	0.5
357.06113	8.3
358.06558	1.4
391.11197	0.5
401.08792	27.2
402.09103	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.2
61.98822	4.2
69.66871	11.3
71.01374	13.3
72.99317	3.3
73.02940	5.2
73.51582	1.9
78.46522	2.5
85.02946	8.7
87.00881	59.1
89.02446	9.1
101.02453	7.7
111.00873	2.6
113.02450	6.7
120.15096	1.8
121.02933	2.5
123.00896	6.2
128.03600	2.1
135.04456	2.8
138.03226	3.9
149.02484	5.0
161.02396	10.5
163.04012	22.8
164.04826	18.3
165.05467	2.9
166.02722	7.6
173.02342	2.0
175.04008	2.2
176.04816	15.6
177.01991	3.4
177.05286	2.2
178.06323	21.0
179.03516	9.5
179.05698	3.5
179.07120	29.1
180.07368	2.1
181.05034	7.9
182.46562	2.3
189.02089	2.3
191.03508	26.7
191.07166	8.9
192.04268	2.2
193.05023	7.3
193.08731	3.7
194.05785	9.2
203.03584	6.3
205.05022	9.3
206.05858	8.3
207.03046	3.4
207.06570	2.8
207.63263	2.2
208.07436	2.5
209.08093	11.6
218.05907	5.7
219.02995	5.9
220.91576	2.1
221.04471	4.8
221.08177	9.3
233.04659	2.5
234.05261	3.0
235.05988	3.5
236.06693	3.6
237.07648	5.5
238.04881	4.0
247.02473	7.8
247.06102	6.5
249.07787	5.4
251.09251	4.8
261.07831	2.6
262.04770	12.1
265.07169	60.5
266.07480	5.4
271.02563	2.3
277.07150	34.3
278.07507	3.4
295.08197	89.2
296.08554	8.2
301.03067	2.8
309.09738	2.7
341.10983	14.3
355.10303	23.6
383.09949	7.5
401.10898	100.0
402.11261	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	401.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.3
61.98845	12.0
64.95256	19.5
65.00330	5.0
71.01381	10.3
72.56766	2.3
73.01164	5.9
78.98597	3.8
85.02948	3.8
89.02444	5.8
91.01895	27.0
96.99309	19.4
101.02490	2.7
104.98383	3.9
105.03835	3.1
108.02164	7.3
109.02975	17.5
111.41577	2.4
112.98794	2.8
116.84596	3.0
119.03555	3.5
121.02993	3.3
123.04525	44.4
125.00636	2.7
134.03777	3.7
137.00946	4.6
145.02946	29.4
146.03751	59.9
147.04167	4.0
148.01700	10.0
149.02440	3.2
153.05569	3.2
158.03728	42.9
159.04523	80.5
160.01695	6.0
160.04913	4.7
161.02422	5.3
161.06087	15.1
163.04010	8.2
173.00955	3.9
173.02361	2.6
173.06070	46.6
174.03203	7.2
174.06480	5.9
175.04012	7.0
177.01909	4.2
187.04007	5.8
211.07706	4.7
237.89008	2.5
239.07137	7.6
241.05130	9.9
249.05663	3.6
250.06357	7.2
256.07349	6.6
265.08716	5.4
266.05829	35.1
267.06570	27.2
268.07202	5.1
271.09698	7.0
277.05151	12.4
278.05804	5.0
280.07422	12.0
281.08160	65.0
281.11325	3.6
282.08887	32.2
283.09558	4.9
293.04538	2.5
293.08127	5.2
294.05429	4.6
295.06107	70.5
296.06473	10.0
298.20096	2.6
309.07623	10.3
310.08456	58.3
311.08762	6.5
325.10806	100.0
326.11072	13.6
337.07388	3.4
339.05066	3.1
341.10715	12.2
354.07547	8.9
355.07648	3.1
369.09775	77.3
370.10144	8.2
387.10751	8.0
401.12161	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	401.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50639	0.4
55.01867	1.0
57.03437	1.9
58.00602	0.5
59.01092	0.7
59.01382	13.2
60.01683	0.4
61.98829	21.6
63.94450	2.4
64.95240	1.4
66.99960	0.4
69.51095	2.7
70.99599	0.7
71.01382	9.6
72.99323	0.8
73.01173	0.9
73.02948	3.0
73.89039	0.3
76.97014	0.4
79.93961	1.6
79.95739	0.6
82.73980	0.3
83.01382	1.4
85.02952	4.5
87.00931	0.4
87.04500	0.7
89.02444	4.4
95.01406	0.7
99.00864	1.1
99.04533	0.5
101.02445	7.7
104.37542	0.3
104.98382	100.0
105.98155	0.4
105.98721	1.5
109.62135	0.4
113.02453	3.3
119.03480	2.0
122.99446	1.6
123.08125	1.1
125.02426	0.5
129.01886	0.3
130.08810	0.8
137.09721	3.8
138.06718	0.4
148.05772	0.3
152.96814	0.8
161.04582	0.7
161.09724	0.5
168.98203	33.8
169.98288	1.1
175.11299	0.4
177.12859	3.0
179.10771	0.9
181.08740	0.7
195.13890	1.3
203.10741	0.6
203.72411	0.4
221.11774	2.9
225.11343	0.6
285.13400	1.7
337.04132	0.6
399.78931	0.4
401.18130	42.7
402.18484	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	401.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30073	0.2
51.47588	0.2
55.01880	0.3
57.03455	1.9
59.01381	5.6
61.98846	0.6
63.25222	0.2
63.94455	2.9
63.96245	0.5
64.95236	1.9
69.03476	0.5
70.99602	0.7
71.01382	5.3
72.99311	1.0
73.01159	0.8
73.02946	0.8
74.02478	0.3
75.00873	5.1
79.93986	0.4
79.95734	0.8
83.01388	0.4
85.02950	3.9
87.00890	1.3
87.04534	0.5
89.00673	0.4
89.02442	2.3
95.01413	0.4
99.00310	0.2
99.00842	1.3
101.02441	2.4
102.05658	0.3
103.00353	0.3
104.98386	100.0
105.98792	1.8
109.06593	0.3
113.02459	3.8
114.05663	0.3
115.00379	0.9
116.01138	0.3
117.01944	0.6
119.03497	0.7
120.99589	0.3
123.08159	0.4
125.02450	1.6
128.03540	0.7
129.01956	0.5
129.10312	0.3
130.08722	0.4
132.30836	0.2
137.09709	1.0
139.75696	0.3
143.12006	0.4
149.02440	0.4
151.07634	0.5
151.11311	0.8
153.12878	0.3
161.04558	0.9
161.06007	0.5
168.98213	31.9
169.98395	0.9
175.02437	0.8
177.09212	0.4
179.03442	0.4
179.05655	0.3
179.10811	0.4
185.04625	0.3
195.13858	0.9
197.15501	1.0
203.10835	0.6
206.09489	1.1
207.13829	0.5
209.15614	0.3
221.11803	2.0
224.14174	2.1
225.14949	2.6
228.13556	0.4
239.05626	0.4
239.12973	0.3
337.04477	0.4
400.26297	0.3
401.18143	21.3
402.18661	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	401.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01379	8.8
61.98827	0.9
63.94464	3.1
64.95248	1.6
70.99610	1.0
71.01389	30.6
72.39754	0.7
73.01174	12.5
73.02954	2.5
73.04074	0.8
74.02489	1.3
74.67110	0.7
74.99102	0.8
75.00835	1.0
79.95742	17.6
80.96512	4.0
81.03436	0.7
85.02953	11.1
87.00878	0.8
87.04515	19.2
88.04046	0.9
89.00684	1.2
89.02457	3.7
96.95999	1.6
98.19892	1.4
99.04529	2.3
101.02449	3.1
104.98389	100.0
105.98792	1.1
106.98111	0.9
113.02430	1.8
115.04041	0.8
119.03531	1.9
120.99618	0.8
125.02450	0.8
129.10329	1.3
130.08777	1.5
137.01039	0.9
141.05603	1.7
143.11946	1.1
149.02507	0.9
159.06624	9.5
161.04602	1.3
168.98212	21.0
179.07141	1.3
184.99115	0.8
185.94804	4.7
203.00224	1.6
203.10815	0.7
219.03268	0.8
221.11848	1.9
233.24524	0.6
252.09108	0.7
263.02261	3.2
309.95255	0.8
315.07349	1.2
341.10858	1.1
357.21393	2.0
371.23111	0.8
401.00195	9.5
401.04626	0.7
401.19186	1.3
401.24231	2.1
402.00723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.8
61.98830	100.0
69.29713	4.8
69.57916	0.5
71.01385	5.7
72.99326	1.1
73.01176	1.6
73.02953	1.0
75.00845	0.7
79.93977	1.6
79.95757	1.9
80.96518	0.8
83.01402	1.0
83.05028	0.8
85.02953	2.3
87.00909	0.8
89.00674	1.2
89.02457	2.4
92.05174	0.6
97.02947	0.5
99.00914	0.8
101.01849	0.6
101.02390	2.9
102.05621	1.1
104.98396	2.1
112.98818	0.6
113.02460	3.3
114.01974	0.7
115.04014	0.7
115.92138	0.6
119.03510	1.1
120.97894	5.8
128.03561	2.7
130.08749	2.1
137.09727	3.2
152.96861	6.1
160.08968	0.7
161.04608	1.2
175.11310	1.2
176.11742	0.7
187.06125	0.6
203.10760	0.9
219.10315	1.5
220.10719	1.6
221.11845	2.2
225.48163	0.6
232.20782	0.5
239.13129	0.6
251.11182	0.9
252.11865	0.9
255.02939	0.9
271.16617	1.0
297.62119	0.6
300.02936	1.6
301.03885	0.9
341.10632	0.8
357.21933	0.7
367.30585	0.6
400.16574	1.1
400.21207	2.2
401.00668	3.0
401.18198	6.8
421.03741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03445	1.9
59.01380	7.6
59.46480	0.4
61.98827	1.3
63.94473	3.3
64.95242	1.9
69.58688	3.5
70.99604	0.6
71.01386	36.5
72.01707	0.6
72.99368	0.6
73.01176	14.1
73.02941	2.6
73.04082	0.6
73.47474	0.5
74.02473	1.8
75.00874	0.7
79.93955	1.1
79.95744	14.0
80.96526	3.7
81.02189	0.5
81.03467	1.2
85.02956	14.2
86.03306	0.5
87.00862	1.2
87.04514	24.6
88.04047	0.7
88.04854	0.7
89.00669	0.8
89.02451	3.0
94.96345	0.7
95.01392	0.5
99.00878	0.6
99.04507	2.1
101.02425	2.6
104.98387	100.0
105.98746	1.0
106.98083	0.7
111.00928	0.8
112.75423	0.5
113.02444	2.0
115.02256	0.8
115.04060	0.9
119.03556	0.8
120.99622	0.6
121.02930	0.6
127.00391	0.7
129.10338	1.6
130.08704	1.3
137.01018	1.4
141.05634	1.6
143.11885	0.9
149.02473	0.7
152.96915	0.8
159.06633	9.9
161.04594	0.8
164.04813	0.9
168.98209	20.3
169.98471	0.7
174.01595	0.6
175.02481	0.9
177.03918	0.5
184.99150	1.3
185.94876	4.5
186.12405	0.6
195.05113	0.9
203.00177	1.5
209.10782	0.6
217.78070	0.5
219.03215	0.6
221.11841	1.4
223.06068	0.7
263.02338	5.5
264.02557	0.5
281.10269	0.6
320.52014	0.5
341.10703	1.2
357.21466	2.9
371.23352	0.9
401.00473	8.2
401.10144	0.8
401.18710	1.1
401.24054	1.6
402.00427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35387	1.0
57.03444	1.3
59.01381	6.2
61.98832	100.0
62.63760	0.9
63.96260	0.9
64.95241	3.6
70.17917	1.1
70.18249	3.8
70.76927	1.2
71.01393	3.3
73.01173	2.1
75.00874	7.2
85.02949	3.1
89.02435	2.0
91.03998	1.6
96.96005	1.6
98.19897	1.4
99.00847	1.2
101.00655	5.0
101.02483	1.6
104.98397	15.4
113.02458	6.8
121.02962	4.8
121.06628	1.0
125.02460	2.4
144.99649	8.4
153.95680	1.0
174.01656	1.1
185.04547	1.2
206.08333	1.0
207.06674	2.0
211.13388	2.2
225.14984	1.4
229.14531	1.6
239.13129	1.0
242.43739	1.1
249.07645	2.0
283.19363	1.4
299.39127	1.0
300.02576	1.7
313.07153	3.0
327.21625	7.1
341.10971	1.2
357.06335	1.3
400.32834	1.2
401.08810	2.5
401.18323	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	400.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39431	0.5
52.98916	0.5
59.01382	7.9
61.98831	100.0
62.09529	0.5
71.01394	2.6
73.01184	1.0
73.02983	0.6
79.76833	0.6
79.93961	1.1
82.93638	0.7
83.08994	0.6
85.02972	1.1
89.02441	1.6
98.20638	1.9
99.12304	0.7
101.02448	2.0
104.98393	3.3
112.34284	0.8
113.02467	0.9
116.08230	0.7
120.97897	5.3
125.02434	1.7
130.08734	1.7
136.74724	0.6
148.30733	0.5
149.99620	0.7
157.68024	0.6
168.00656	2.1
168.98215	0.9
175.02457	1.1
220.06493	0.6
221.11884	0.6
229.94197	0.8
341.10947	1.3
341.16196	0.9
349.14474	0.6
359.17099	1.6
399.26227	0.8
401.11136	2.5
401.18253	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
61.98833	1.0
69.82278	0.6
69.82686	1.9
71.01380	2.1
71.47005	0.4
72.99302	0.9
75.00887	1.2
82.02997	3.2
83.67829	0.4
84.04557	0.6
85.02952	2.1
87.00875	1.4
88.04082	0.6
89.02446	1.0
95.01420	0.6
99.00887	0.8
101.02435	0.5
105.01108	0.5
107.03749	2.4
108.04558	45.1
109.04897	1.6
110.02466	2.4
113.02467	2.6
115.00357	0.5
118.02989	10.2
127.66640	0.4
128.03542	100.0
129.03877	3.7
133.61734	0.5
134.02533	0.5
151.00403	0.7
166.81245	0.4
175.02440	0.6
175.08789	0.6
176.07227	0.6
195.67123	0.4
201.06696	1.6
219.07747	22.6
220.08095	1.8
237.08795	33.2
238.09148	2.5
243.02927	1.0
254.02361	0.5
255.02977	1.4
271.02383	2.7
272.78442	0.5
300.02692	3.9
301.03378	0.9
312.06793	0.8
328.91025	0.5
387.83820	0.5
399.14059	35.3
400.14532	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	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.7
58.00594	3.3
58.90420	1.8
59.01379	68.6
61.98830	9.2
65.99660	2.0
69.35119	7.1
69.35543	8.4
71.01386	33.2
72.99327	4.4
73.02942	2.8
75.00845	2.5
76.33071	1.6
83.05019	2.9
85.02940	9.4
87.00901	3.5
89.02446	27.5
93.07113	2.5
98.19814	3.3
101.02459	15.8
113.02456	12.8
115.08763	4.9
116.07200	2.5
119.03481	8.9
119.04996	3.0
129.10373	4.5
130.08754	15.8
133.10248	3.5
139.07755	2.1
145.02966	3.6
145.06586	6.8
159.08130	5.8
160.08948	43.8
161.04555	3.3
161.09341	4.0
163.00401	2.3
173.09697	11.7
174.01697	3.7
175.11288	93.7
176.11708	9.2
176.12996	1.6
179.05727	2.1
185.16478	2.5
197.07616	2.0
219.10252	100.0
220.10608	7.8
251.11336	6.1
399.16614	66.9
399.26016	21.0
400.16937	11.1
400.26135	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	399.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61071	0.7
57.03434	0.7
59.01382	1.0
61.98837	1.1
65.00320	1.6
69.97083	2.4
69.97498	1.1
91.01894	45.8
91.68164	0.6
92.02224	1.5
96.96028	0.8
104.98339	0.7
105.05412	0.6
108.50340	0.8
109.02948	1.4
111.00910	1.0
122.49373	0.7
135.00885	100.0
136.01213	5.0
153.01950	9.4
232.52034	0.7
243.40573	0.7
283.24863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81211	3.1
59.01382	100.0
61.98840	22.5
64.43986	2.7
65.21000	2.5
67.09034	3.1
70.41836	2.9
74.15002	3.1
74.89101	3.1
76.92812	2.6
98.20699	11.2
121.47034	2.7
135.37375	2.9
173.50879	2.8
215.49861	3.7
338.26855	7.3
398.11002	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	399.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48085	1.7
59.01378	89.0
60.14722	1.5
61.63477	1.7
61.98822	2.8
63.94452	3.7
69.41332	9.2
69.41749	4.7
71.01364	2.2
71.65549	1.9
74.89011	1.6
76.95256	9.2
78.95908	2.1
78.96816	54.5
79.95739	3.5
83.62097	1.6
92.98413	2.0
99.00907	2.0
99.92584	2.4
112.98810	7.5
124.95590	100.0
125.96008	1.8
129.00183	11.0
141.00175	5.1
142.99814	2.7
167.84894	1.8
173.00928	11.0
219.03186	2.3
232.01945	1.9
361.00641	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	399.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46328	2.6
57.03452	2.5
59.01381	93.5
60.01698	2.5
61.98837	63.5
69.21461	2.4
69.62431	18.0
70.99623	2.5
71.01393	6.9
73.01167	7.0
73.02953	2.8
85.02953	7.2
89.00694	2.9
98.20572	5.0
99.00900	20.4
101.00675	4.4
104.98399	11.4
111.00892	7.3
112.98817	62.0
113.02448	7.9
115.00358	4.6
129.00146	3.7
131.88098	2.8
142.99861	34.8
143.01689	2.5
144.99661	6.4
145.01407	6.5
173.00916	100.0
174.01654	13.6
217.01784	7.1
237.14951	30.7
245.01347	2.8
247.02907	7.7
394.04626	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	398.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14575	1.8
56.21136	2.1
56.40915	2.1
59.01384	20.6
61.98829	100.0
70.42422	6.9
71.01387	4.3
81.03450	9.3
82.35133	1.8
83.01381	2.2
83.05017	21.9
89.02440	2.8
96.96007	2.0
100.07667	2.2
101.02479	2.9
103.54094	1.8
112.98802	3.8
117.03455	3.2
123.04483	2.2
142.99872	2.1
144.10078	2.2
145.02959	9.4
163.14717	1.8
171.10228	2.5
199.18146	3.2
225.16060	6.4
227.03452	4.7
243.17191	9.3
255.02885	5.5
284.03247	4.8
285.04279	2.4
304.60437	2.3
353.20761	6.5
370.23273	18.1
398.09137	6.1
398.14383	3.3
398.22842	20.6
398.59451	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	398.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	11.3
59.01373	4.9
66.03506	2.3
69.58264	10.6
71.01380	3.7
72.00919	2.6
74.00706	9.7
74.02473	24.7
78.96820	3.8
81.04569	2.4
82.02992	7.9
84.04549	2.7
85.04062	2.2
86.02493	6.8
87.05654	6.1
97.04062	10.5
98.19917	3.2
99.05660	20.4
100.00407	20.3
101.02447	2.1
101.07162	1.9
102.00197	4.0
102.05605	2.6
105.99688	5.5
109.04105	3.9
113.03566	2.0
114.00197	2.1
123.05704	2.4
124.95583	1.9
125.03562	3.3
125.07169	1.9
127.05154	3.9
128.03545	100.0
129.03883	2.4
131.02751	1.5
135.05675	5.8
137.31221	1.7
141.03136	2.4
141.06718	4.5
143.04633	92.6
144.05005	2.1
145.06160	3.7
146.04608	8.4
151.05154	4.2
153.06750	9.3
160.00761	7.6
166.09819	2.9
167.04582	3.8
167.08272	2.3
169.06204	15.9
175.01799	9.9
177.03415	4.1
179.04610	22.8
181.06200	3.1
182.09312	1.9
184.10846	2.0
185.03908	4.5
185.05646	4.2
197.05618	6.7
203.04982	11.7
210.08815	18.3
219.10309	2.0
226.08281	4.0
246.01585	1.7
254.07814	34.0
272.08871	58.4
273.09024	3.7
286.04974	8.3
288.06619	5.4
304.06116	30.0
305.06561	2.4
306.07684	21.1
314.09427	1.8
344.27029	1.8
398.05432	10.6
399.16736	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	397.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
63.94469	19.7
63.96228	2.1
64.95253	62.7
69.85518	1.9
71.01367	3.3
71.61417	1.8
71.61832	2.0
72.81122	1.8
73.01178	4.4
74.02475	4.8
75.02748	3.1
79.95757	4.2
80.96510	1.7
82.02972	2.0
84.04549	1.9
85.02951	1.8
86.02477	15.9
96.25916	1.5
104.98389	52.4
106.99960	100.0
112.93702	2.4
114.03822	5.5
115.20432	1.9
120.42007	1.8
127.05167	4.8
127.08783	12.9
128.03551	95.4
129.03886	5.2
130.08723	2.1
143.04617	3.4
153.06691	4.8
171.07765	80.6
172.08002	2.3
175.03996	1.7
177.03404	1.8
204.06905	2.0
211.56885	1.7
215.06706	5.3
249.05373	3.9
307.07880	4.7
397.09445	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	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33703	2.2
55.01881	6.2
57.02068	2.1
57.03442	4.8
58.00597	4.6
59.01380	98.1
69.03464	5.8
71.01385	100.0
71.61549	2.5
72.99291	8.7
73.02946	23.6
78.00708	2.2
81.03472	5.1
83.01402	16.3
83.52453	2.2
85.02953	23.0
87.00883	20.1
89.02445	85.6
93.65313	2.5
95.01386	8.5
97.02940	23.2
99.00880	6.0
101.02444	83.7
103.04050	3.1
109.02931	3.7
111.04494	4.4
113.02459	37.6
114.02777	3.2
119.03501	25.9
121.02957	3.0
125.02457	25.4
133.05045	7.6
139.04015	3.0
143.03537	11.9
161.04575	14.1
164.63733	2.2
169.05077	3.4
179.05609	7.1
220.21121	2.3
221.06670	3.1
235.08237	25.8
253.09322	3.1
263.07751	3.8
277.09280	3.4
305.09003	3.2
360.95056	2.7
361.11417	3.5
397.13528	91.0
398.13745	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	396.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	8.9
59.01377	3.8
61.98810	6.0
64.95229	3.2
67.18835	2.0
69.34629	8.3
69.35057	11.4
71.01392	2.6
73.01184	5.2
74.02475	25.6
75.48853	2.0
79.95743	2.6
80.96490	3.4
82.03013	2.3
86.02481	9.5
87.05608	4.9
96.96044	1.9
97.04100	2.6
99.05645	17.9
101.02457	2.5
102.05626	2.8
104.98391	10.4
106.99982	3.1
109.04098	2.8
112.04013	2.4
112.47947	2.6
125.03528	2.4
127.05105	3.3
128.03546	46.0
135.05678	3.2
141.06683	5.3
143.04620	58.8
143.05728	3.8
143.90141	2.3
145.06256	4.5
146.04585	2.9
152.05383	3.2
153.06706	4.1
160.00740	19.0
166.09708	2.7
167.04651	3.9
167.08203	2.5
171.07741	5.2
177.03348	5.2
179.04604	12.7
181.06253	3.9
210.08739	8.8
254.07794	16.4
272.08841	26.5
273.08929	2.6
288.06570	12.0
306.07669	100.0
307.07922	7.5
390.46371	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	396.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26956	0.5
57.05878	0.6
61.98860	0.7
70.61954	1.8
96.96037	3.5
99.92586	52.0
100.92595	3.5
115.92084	10.1
116.92094	0.8
116.92872	9.8
118.89982	100.0
119.90005	5.6
134.89474	6.9
135.89284	1.0
135.90269	15.9
136.90245	1.2
141.93622	1.5
150.88963	7.7
158.43002	0.6
311.17044	1.4
360.13968	12.3
360.18164	1.0
361.14175	2.2
396.11639	43.5
397.11887	8.9
397.22647	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	396.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97526	2.2
63.96246	6.0
70.99609	28.9
71.01376	1.2
71.38357	2.0
73.01173	100.0
74.01505	1.8
76.97020	4.3
78.95913	1.9
79.95736	6.8
80.54960	1.4
84.00956	1.3
96.16368	1.4
105.29478	1.2
107.00307	1.4
121.18174	1.2
121.27530	1.1
128.03456	1.2
130.43474	1.3
131.19861	1.2
134.99454	14.6
135.04514	1.7
137.01053	7.9
137.03038	2.1
143.04605	1.5
152.05388	19.7
153.05695	1.5
199.13397	2.1
306.07645	2.7
314.51941	1.3
323.16098	1.3
338.82806	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	396.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73881	0.8
59.01385	2.1
60.97528	3.1
61.98835	1.5
63.96240	8.5
69.34154	6.3
70.99609	57.4
71.01389	1.0
73.01173	100.0
74.01523	1.6
76.97018	6.3
78.95907	0.9
79.95747	8.4
89.02421	0.9
98.20632	2.1
103.89862	0.9
128.03497	1.0
133.05499	0.9
134.99455	36.0
135.99744	1.0
137.01025	3.4
137.03072	5.3
152.05409	41.6
153.05685	1.8
199.11702	1.2
199.13409	15.9
306.07526	1.2
396.17410	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	396.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17175	0.6
60.97524	1.4
61.98812	1.0
63.96241	6.6
69.77563	0.6
70.44678	1.1
70.45046	1.1
70.99609	27.3
71.01387	0.6
71.99957	0.6
73.01174	100.0
74.01146	0.6
74.01517	2.1
76.97038	3.3
78.95929	1.0
79.95737	5.2
89.68540	0.5
108.79528	0.5
134.99452	16.4
137.01012	8.2
137.03065	2.8
152.05406	20.8
152.99585	0.9
239.44345	0.5
250.21455	0.5
302.68149	0.7
318.65869	0.6
354.72769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97562	7.3
59.01381	23.6
61.98841	12.2
63.96231	2.9
70.02142	4.7
70.02559	9.4
70.99606	7.0
71.01369	17.4
71.05029	4.4
72.99297	3.9
73.02932	3.9
74.00674	5.3
74.02477	7.5
75.00874	52.7
75.08701	2.2
78.95913	5.4
82.02976	7.0
84.04558	3.7
85.02942	5.7
86.02487	4.7
87.00877	10.7
87.05617	2.7
89.02449	13.7
94.02982	3.8
96.96948	7.4
97.04068	6.6
98.20609	3.9
99.00875	28.1
99.05661	4.3
100.00413	8.5
101.02451	11.1
102.00203	3.8
105.99697	8.9
110.00704	7.1
113.00682	4.0
113.02453	4.3
114.03828	9.5
115.00378	9.5
115.16460	2.4
117.01957	2.9
128.03535	43.5
129.00148	3.2
135.02992	100.0
135.05692	3.1
136.04077	13.4
140.01706	3.0
141.00142	3.5
142.99911	6.2
143.04678	14.2
145.06177	4.7
150.01947	2.5
150.05591	4.1
151.05148	3.6
152.01761	7.7
153.02547	18.2
153.06662	3.2
154.03291	9.2
159.02977	9.0
160.00644	5.7
160.01797	5.2
166.03288	2.6
167.81361	2.6
168.01282	4.4
169.06248	12.3
170.02800	14.4
172.06219	3.0
174.01726	2.9
175.02400	18.9
175.03986	4.8
179.04579	3.5
180.01245	20.7
180.02867	5.6
181.01787	3.1
182.02791	10.0
184.04372	3.9
189.02200	3.1
194.02753	5.2
196.00740	6.2
197.05722	6.7
210.02261	28.2
211.03053	19.2
226.08424	6.4
228.03387	8.1
242.14291	2.8
245.48581	2.8
251.11345	3.3
254.01282	6.8
270.04343	11.3
271.05200	16.1
272.02335	8.9
272.05356	2.4
272.08951	7.2
286.05008	5.9
288.05453	17.3
304.06067	54.4
305.06326	7.1
314.03317	6.8
332.04456	65.7
333.04800	6.1
348.81610	2.4
390.30075	2.7
394.38528	2.7
396.03882	2.6
397.16736	3.1
405.34473	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	395.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
57.03450	2.9
58.00587	1.3
59.01378	30.8
60.01722	0.7
61.79949	0.5
61.98820	1.0
62.68270	0.4
65.20454	0.5
69.03447	1.1
71.01383	38.4
71.61517	0.9
72.01731	0.5
72.99295	2.4
73.02947	19.4
74.03300	0.6
75.00852	0.7
79.95715	0.5
81.02168	0.5
83.01389	15.2
85.02953	23.3
85.06613	0.6
86.00121	1.1
86.02489	0.8
86.03287	0.5
87.00872	2.1
89.02451	5.8
95.01373	2.5
96.96056	0.5
97.02950	2.3
99.00883	7.4
99.04487	0.6
101.02443	49.8
101.15823	0.4
102.02781	1.6
103.04010	1.9
111.00883	1.3
113.02450	15.5
114.00198	0.8
114.02795	0.5
119.03474	1.6
120.99689	0.4
125.02448	2.0
128.03496	1.3
129.01947	0.8
137.58202	0.5
143.03581	2.4
143.04543	0.9
145.05078	1.1
145.06175	0.9
159.03001	3.6
161.04558	19.1
162.04915	1.2
163.06100	0.7
171.07787	0.6
205.03508	1.0
229.07161	1.2
247.08229	1.2
249.13422	100.0
250.13760	7.6
260.82443	0.5
272.08905	0.7
293.12439	1.5
297.32709	0.5
304.05917	0.5
306.07550	0.7
395.19199	28.7
396.19492	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	395.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02583	0.8
55.21771	0.7
59.01385	2.2
62.51646	0.7
66.81977	0.8
70.79643	2.1
71.01381	1.2
75.00874	0.8
78.95908	36.5
95.83259	0.7
96.96970	2.4
98.19738	1.0
108.44218	0.7
117.01908	1.0
127.07557	0.7
135.03000	0.7
138.28963	0.7
152.99590	50.2
171.00722	1.0
210.51009	0.7
241.21852	1.3
277.21722	100.0
278.22067	14.0
311.17038	1.0
395.21625	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	395.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	99.9
60.61111	5.0
61.98831	51.4
69.78856	9.0
69.79262	18.8
71.01385	28.8
73.02944	9.1
79.93958	5.8
79.95747	9.1
85.02958	12.9
98.20529	7.8
99.00882	19.6
101.02460	14.8
105.29350	5.4
112.98800	55.1
113.02443	5.8
119.59337	4.7
128.03561	12.5
129.00169	5.9
129.35452	5.7
142.99876	43.5
148.07674	9.7
161.04622	9.5
162.38103	4.8
164.07138	7.2
168.78770	5.8
173.00920	100.0
174.01627	17.5
233.84775	5.3
249.13402	18.5
270.14975	11.5
303.35223	7.2
306.08389	5.3
395.19360	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	395.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01701	2.4
61.98832	24.7
64.95248	8.9
66.94834	17.0
71.01391	23.3
71.61074	2.9
72.99291	3.1
73.02953	7.1
74.02479	4.6
75.00881	4.0
75.48080	2.0
75.66718	2.0
77.20013	2.6
79.95740	12.6
80.96514	4.7
85.02969	8.0
87.00879	6.2
88.97018	5.2
89.02444	10.1
90.98600	2.8
96.00920	2.9
96.96012	3.1
99.00836	3.0
99.05630	2.4
99.06316	2.2
101.02446	14.8
103.04034	2.7
104.44157	2.4
112.93764	3.8
112.98833	2.7
113.02454	5.8
114.05627	3.0
115.00354	8.9
115.04051	2.7
119.03512	6.4
119.05023	3.3
120.01247	2.2
128.03542	7.8
130.08760	7.5
143.04619	6.6
145.89719	2.8
146.90515	4.3
159.10265	5.3
161.04558	5.0
173.22270	2.5
175.02505	16.7
182.97929	6.3
184.97496	8.1
186.93695	2.1
272.08804	3.2
306.07623	3.1
335.17108	3.6
366.16635	4.3
373.62872	2.6
394.94693	3.7
394.99326	14.0
395.14459	11.6
395.19312	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	395.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
57.03444	3.6
58.00591	1.1
59.01378	32.1
61.98836	1.7
66.84497	0.4
69.03445	1.0
71.01382	40.8
72.01718	0.7
72.99309	2.7
73.02949	19.7
73.98312	0.3
74.03277	0.4
75.00883	0.9
79.95744	1.0
80.96555	0.4
81.03449	0.5
83.01389	15.5
83.05040	0.4
84.01733	0.4
85.02950	24.7
85.06602	0.6
86.00105	1.4
86.03284	0.4
87.00883	2.7
87.04523	0.3
87.08156	0.7
88.65776	0.3
89.02445	5.4
95.01382	2.1
97.02941	1.7
99.00873	6.9
101.02444	51.1
102.02774	1.3
103.04015	2.3
111.00874	1.1
112.93736	0.5
113.02451	16.1
114.02763	0.5
115.00374	0.4
119.03471	1.0
120.97826	0.4
125.02442	1.6
127.03989	0.4
128.03539	0.8
129.01945	1.5
131.03520	0.7
132.43489	0.4
143.03491	3.4
143.04567	0.8
145.05057	0.8
157.08772	0.5
159.02974	3.2
161.04558	16.1
162.04887	0.6
163.06114	0.8
175.02444	0.8
177.03203	0.4
191.49004	0.4
205.03496	0.8
229.07227	0.9
247.08247	0.7
249.13420	100.0
250.13756	7.6
293.12515	0.9
304.06021	0.6
354.11655	0.4
395.19214	23.8
396.19534	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46779	0.4
55.01880	1.7
57.03452	2.0
58.00599	5.1
59.01380	100.0
60.01701	1.9
61.98824	0.9
64.95250	2.8
69.03462	2.0
71.01384	56.0
72.01735	1.2
72.99308	6.1
73.02947	26.5
75.00861	1.5
79.69612	0.4
79.95746	1.9
80.96514	1.1
81.03465	1.0
82.10122	0.4
83.01384	5.9
85.02429	0.9
85.02953	16.8
86.00102	1.7
87.00880	11.0
87.04506	3.8
88.97034	1.0
89.02446	56.6
90.02784	1.4
95.01395	1.8
96.95988	0.6
97.02959	1.7
99.00896	1.5
99.04507	0.7
101.02448	56.4
102.02798	1.3
103.04014	21.7
104.04354	0.3
109.02997	0.5
111.00893	0.5
112.93726	0.9
113.01688	0.7
113.02457	12.5
114.02829	0.6
115.00374	1.7
115.04020	5.3
117.01870	0.4
119.03506	22.8
120.03828	0.6
120.97874	0.8
125.02482	3.5
127.03999	2.4
128.03568	1.1
130.08778	0.8
131.03505	12.0
132.02188	0.6
132.89029	0.4
134.03752	2.2
143.03517	15.1
143.04594	1.2
143.90111	0.7
144.90953	1.0
145.05072	7.0
147.06374	0.4
149.04547	0.5
160.01668	4.7
161.02098	0.4
161.04556	4.2
163.06125	42.9
164.06477	1.9
175.02463	2.7
175.03987	7.1
176.04329	0.8
179.05615	6.6
180.05963	0.4
182.97913	1.6
193.05103	2.9
205.07173	28.3
206.07529	1.3
245.18677	0.4
247.08121	0.5
247.11931	3.2
247.14084	0.6
265.09250	1.6
272.08893	0.6
285.03946	0.8
330.16794	0.5
333.15482	1.0
355.10330	2.5
392.94431	0.7
392.99765	1.9
393.17612	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	395.0077
Annotation	Tamarixetin 3-O-sulfate
Peak:m/z	Relative Intensity
55.19350	0.3
57.28621	0.3
57.66979	0.3
59.01381	4.8
61.98825	0.5
69.29051	2.8
71.01372	1.0
79.95734	0.7
89.02443	0.8
95.93454	0.4
99.05614	0.5
101.02428	0.8
107.01414	0.4
108.02179	1.0
113.02435	0.7
119.03513	0.4
128.03539	1.3
135.00861	0.5
143.04659	0.9
148.01646	0.6
151.00380	0.8
163.00375	1.1
171.35638	0.3
174.01692	0.4
186.92435	0.3
187.04115	0.4
199.04007	0.7
200.04645	0.3
216.04298	0.6
226.02696	0.6
227.03586	1.6
228.04100	0.4
243.02953	8.8
244.03691	2.8
254.02211	1.7
255.02975	16.9
256.03293	2.2
256.74417	0.4
259.06024	0.8
264.09262	0.7
271.02466	34.7
272.03073	7.5
287.05511	2.1
299.02127	0.6
300.02744	42.1
301.03058	4.9
306.07870	0.6
315.05093	100.0
316.05405	13.1
318.13406	0.5
364.06409	0.3
395.00757	12.7
396.01093	1.6
396.16721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.1
59.01379	100.0
61.98837	3.9
62.14027	4.6
63.96242	4.6
71.01387	10.4
73.01171	3.9
73.98294	4.3
74.02494	5.9
77.09981	3.9
79.93111	4.1
79.95743	4.9
83.05042	3.9
83.14870	3.8
85.02938	8.8
87.00838	4.5
99.00876	20.7
100.00424	5.3
100.52756	4.9
111.00885	5.9
112.98798	60.0
114.81564	4.3
115.00345	7.8
120.97897	10.4
127.05119	4.8
128.03558	18.3
129.00140	7.6
129.13972	4.0
142.99879	36.9
143.04634	12.2
145.01434	4.8
145.06178	13.2
145.69446	4.2
173.00922	87.7
173.11821	14.2
174.01556	8.9
180.05064	4.5
238.75499	5.0
247.02818	5.8
272.08920	10.5
306.07498	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62506	1.1
57.03447	100.0
59.01378	93.0
61.98810	1.4
63.94000	1.0
66.35805	1.0
71.01373	8.3
71.61093	1.1
71.66916	1.3
73.02946	4.7
73.82108	1.1
75.16116	1.1
81.03432	1.5
83.01383	2.5
85.02960	5.6
89.02441	1.8
99.00877	2.2
99.04520	86.2
100.04848	3.8
101.02440	31.6
102.02737	1.3
113.02422	5.7
125.02434	30.8
125.03279	1.5
126.02874	1.5
143.03499	2.2
161.04558	2.4
169.69109	1.1
218.79092	1.4
228.46233	1.3
249.13463	15.6
250.13762	1.4
256.03391	1.2
291.14478	1.3
317.28470	1.3
321.36652	1.0
349.98590	1.2
358.14966	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46779	0.4
55.01880	1.7
57.03452	2.0
58.00599	5.1
59.01380	100.0
60.01701	1.9
61.98824	0.9
64.95250	2.8
69.03462	2.0
71.01384	56.0
72.01735	1.2
72.99308	6.1
73.02947	26.5
75.00861	1.5
79.69612	0.4
79.95746	1.9
80.96514	1.1
81.03465	1.0
82.10122	0.4
83.01384	5.9
85.02429	0.9
85.02953	16.8
86.00102	1.7
87.00880	11.0
87.04506	3.8
88.97034	1.0
89.02446	56.6
90.02784	1.4
95.01395	1.8
96.95988	0.6
97.02959	1.7
99.00896	1.5
99.04507	0.7
101.02448	56.4
102.02798	1.3
103.04014	21.7
104.04354	0.3
109.02997	0.5
111.00893	0.5
112.93726	0.9
113.01688	0.7
113.02457	12.5
114.02829	0.6
115.00374	1.7
115.04020	5.3
117.01870	0.4
119.03506	22.8
120.03828	0.6
120.97874	0.8
125.02482	3.5
127.03999	2.4
128.03568	1.1
130.08778	0.8
131.03505	12.0
132.02188	0.6
132.89029	0.4
134.03752	2.2
143.03517	15.1
143.04594	1.2
143.90111	0.7
144.90953	1.0
145.05072	7.0
147.06374	0.4
149.04547	0.5
160.01668	4.7
161.02098	0.4
161.04556	4.2
163.06125	42.9
164.06477	1.9
175.02463	2.7
175.03987	7.1
176.04329	0.8
179.05615	6.6
180.05963	0.4
182.97913	1.6
193.05103	2.9
205.07173	28.3
206.07529	1.3
245.18677	0.4
247.08121	0.5
247.11931	3.2
247.14084	0.6
265.09250	1.6
272.08893	0.6
285.03946	0.8
330.16794	0.5
333.15482	1.0
355.10330	2.5
392.94431	0.7
392.99765	1.9
393.17612	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	392.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98809	2.6
71.61026	2.9
79.95752	4.1
88.92906	2.2
96.96012	4.8
112.98867	2.6
118.87364	2.4
120.69369	2.2
123.46568	2.5
157.26227	2.4
172.29649	2.2
173.00865	4.0
175.99750	2.3
179.63106	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41909	1.1
52.70092	1.0
57.03449	100.0
58.03787	2.2
59.01379	90.5
61.98832	2.9
64.95238	1.4
65.15364	0.9
71.01382	8.9
71.61162	1.4
73.02940	3.7
81.03442	1.4
83.01373	1.4
85.02957	5.5
88.75425	1.0
89.02446	1.3
99.00892	1.5
99.04517	80.9
100.04868	2.9
101.02443	27.4
108.08232	1.0
108.65179	1.2
113.02436	3.6
116.27800	1.0
125.02436	27.9
125.03295	1.8
126.02806	1.3
143.03574	2.2
152.07162	1.9
159.02998	1.2
161.04507	2.7
183.06989	1.1
196.06108	1.1
249.13411	13.8
272.08661	1.2
291.14319	1.5
306.22733	1.0
358.11096	1.2
358.15012	2.3
375.17401	2.2
375.22311	1.1
393.16766	1.3
396.30948	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	392.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84377	1.3
58.02979	11.9
59.01373	5.6
61.98823	1.7
66.03471	1.2
69.68446	7.5
70.02982	1.4
71.01382	5.1
72.60743	1.2
72.99313	2.0
74.02473	26.3
74.60012	1.2
75.00864	2.0
82.03001	2.1
85.02962	5.7
86.02467	12.3
86.06109	2.2
87.00858	1.7
87.05641	5.8
96.04475	1.7
97.04092	3.9
99.00835	1.7
99.05643	28.7
101.02423	1.4
101.07183	4.6
102.05627	4.2
109.04072	4.8
111.05610	2.2
112.04038	2.8
113.02462	4.3
113.03531	1.6
119.01721	4.9
123.05667	1.9
125.03557	1.9
125.58460	1.6
127.05154	3.8
128.03540	76.7
129.03876	1.7
135.05605	6.6
141.06721	4.1
141.11447	1.2
143.04619	100.0
144.04938	3.3
144.32704	1.4
145.06221	5.0
146.04596	8.5
153.06673	4.8
160.00700	7.0
166.09860	4.0
167.04601	3.8
167.08249	5.0
177.03392	2.9
179.04622	21.1
184.10968	1.4
185.05673	4.3
192.07797	2.8
194.55742	1.5
197.05693	4.3
210.08820	21.3
227.03502	4.4
228.09808	2.2
254.07802	49.5
255.03012	8.3
255.08145	3.7
272.08875	78.2
273.09195	6.9
282.29074	1.7
284.03275	7.8
285.03995	7.7
288.06686	2.9
306.07654	25.0
307.07785	2.3
322.41727	1.4
372.71155	1.9
374.10281	2.5
392.11374	30.7
393.11652	4.7
408.35983	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	392.1829
Annotation	Asp Ile Phe
Peak:m/z	Relative Intensity
50.05920	1.3
59.01384	60.2
60.01708	1.6
61.05728	1.4
61.98837	13.3
69.56555	7.8
70.02975	2.8
71.01392	6.8
72.00911	5.7
73.02944	5.0
75.00867	1.6
78.95934	2.0
81.02193	4.6
81.83821	1.3
82.02985	2.8
83.01395	2.1
85.02957	3.6
87.00878	2.1
87.05666	1.8
89.02441	4.1
91.05524	2.6
95.01363	1.6
95.02515	1.6
96.00903	8.0
96.96024	1.9
98.02486	12.6
99.00890	1.3
101.02431	4.2
106.06631	37.3
107.06944	1.6
108.03317	1.3
108.08192	2.0
109.01699	5.2
113.02454	4.2
113.03572	11.3
114.01959	1.5
117.05465	1.3
118.06631	5.0
118.95501	1.3
124.02787	4.0
129.10359	8.9
130.08745	1.4
131.04643	3.8
132.02115	1.9
138.09196	1.8
139.08704	2.2
140.07169	4.6
142.10530	1.5
146.06071	1.3
147.04527	21.0
150.05617	20.0
151.05988	1.3
155.08258	3.8
157.06638	1.4
160.01672	1.9
161.04567	2.7
164.07178	50.7
165.07494	4.0
165.10320	11.2
166.08730	33.2
167.08170	1.9
168.10292	1.5
171.10226	1.3
172.07668	2.6
175.04037	3.1
183.11359	3.2
192.06726	1.4
194.04607	10.3
199.06378	3.6
200.06927	1.4
205.03540	3.1
208.07748	1.4
209.09306	6.1
210.07686	1.6
222.10075	1.8
227.03490	4.0
227.10236	2.6
231.16083	1.5
233.16577	1.8
255.02979	7.3
256.08539	5.6
257.08646	1.5
259.14438	2.6
271.92966	1.8
277.15488	8.8
283.02283	2.2
284.03262	5.4
285.04007	6.5
286.04462	1.9
295.14529	2.9
296.07635	1.9
306.76108	1.3
311.06671	2.8
311.56927	1.5
313.15576	10.6
314.15948	2.0
333.19315	4.7
356.09872	20.3
356.25989	1.7
357.14532	100.0
358.14871	13.1
366.70657	1.5
374.17230	37.2
375.17218	4.8
392.09302	3.9
392.18198	15.8
392.27362	4.5
392.59518	2.2
393.12469	1.9
393.21191	4.2
393.27869	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81909	0.8
57.03431	1.3
59.01379	100.0
60.01701	1.4
61.98811	1.2
71.01382	17.1
73.02942	5.1
75.00861	1.1
79.95723	1.5
83.01391	2.1
85.02954	6.3
87.00864	2.4
89.02447	7.7
99.00862	2.2
101.02444	15.2
113.02444	10.0
119.03497	3.5
131.03502	3.9
143.03506	1.1
159.02972	1.1
161.04567	15.2
173.00920	1.0
221.06665	8.9
275.10660	2.8
279.71939	1.0
331.17697	7.4
391.27072	5.4
407.47827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30429	0.5
59.01375	2.7
61.98831	1.9
70.03544	0.5
71.01386	0.8
73.01175	7.8
78.95934	0.6
79.95728	1.0
94.85441	0.5
115.00343	0.6
121.19228	0.7
124.02245	3.0
125.03053	100.0
125.85605	0.7
126.03407	2.5
128.23042	0.6
137.00986	1.0
137.07147	0.7
138.03893	3.0
166.06992	2.1
174.01749	1.3
181.06178	1.0
189.49860	0.6
198.07791	0.6
206.39270	0.6
210.05934	3.1
211.06705	23.6
212.07175	3.0
230.11855	0.6
255.05707	34.4
256.06006	3.2
268.07489	0.5
285.04001	0.9
298.04016	0.6
313.06320	0.7
328.06787	6.6
329.07254	1.3
392.06772	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01378	100.0
60.01708	1.3
61.98825	1.3
70.99608	0.4
71.01379	9.1
72.99303	0.8
73.01186	0.5
73.02948	0.8
75.00874	1.0
78.95909	0.4
80.82927	0.3
81.10371	0.4
83.01385	0.4
85.02946	2.5
87.00892	0.9
89.02444	9.2
93.03428	0.4
95.01395	1.0
99.00905	1.0
99.04518	0.3
101.02438	4.8
112.92695	0.4
112.98836	0.5
113.02447	5.3
117.01976	0.4
119.03491	3.8
131.03470	0.4
132.02155	1.0
134.03751	1.9
136.54361	0.4
139.04068	0.9
143.03508	0.6
149.04672	0.7
149.06111	0.6
160.01668	9.6
161.02002	0.6
161.04578	1.4
175.02536	0.6
175.03979	15.9
176.04396	1.1
179.05618	3.2
188.97017	0.3
191.05620	0.6
191.07121	0.4
193.05032	3.9
194.05516	0.5
211.09738	0.6
216.08920	0.5
217.05072	1.5
227.03494	0.8
229.67239	0.4
255.03099	1.6
284.03354	1.7
285.04022	3.8
331.17566	0.7
355.10254	6.3
356.10727	0.9
392.08987	0.5
392.22772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03446	1.7
58.00586	1.4
59.01381	100.0
60.01746	0.7
61.98832	4.1
69.03484	0.7
69.50404	4.4
71.01385	41.0
72.01741	1.0
72.99329	2.7
73.02949	17.4
74.20445	0.5
75.00883	1.0
77.46367	0.5
81.03459	1.1
83.01388	5.9
83.37778	0.5
85.02953	13.3
86.00113	0.9
87.00883	12.2
87.04538	1.2
89.02443	14.1
95.01404	2.6
97.02968	1.8
99.00891	3.6
101.02446	30.7
102.02797	0.8
103.00394	1.0
111.00904	2.0
113.02456	14.0
115.07684	1.3
119.03517	4.8
125.02480	0.9
129.01978	0.7
131.03506	0.7
141.01955	0.8
141.09229	22.7
142.09569	1.2
143.03519	2.2
143.10776	2.8
149.04546	0.7
151.11388	0.9
153.12862	1.1
159.03012	2.4
161.04573	14.0
161.05859	1.2
162.04805	0.9
167.10814	1.1
171.10283	0.9
179.05635	1.3
185.11887	1.0
187.13416	1.8
193.15619	0.6
196.03488	0.6
203.05626	0.8
205.03511	0.8
259.15518	1.4
266.87714	0.6
301.16708	1.1
331.17596	8.6
332.18192	1.7
349.18674	32.2
350.19016	4.0
354.38126	0.6
391.19839	1.8
391.27069	12.2
392.27481	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	389.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.9
61.52337	1.0
61.98833	100.0
69.82984	5.4
76.38625	0.9
84.38071	1.1
93.57514	1.0
103.49098	1.1
104.99288	0.9
110.94028	1.9
253.31764	0.9
321.92932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08488	0.7
55.89565	0.8
59.01382	9.8
61.98819	3.2
63.96228	1.8
64.95248	5.0
66.94820	2.5
68.99817	35.2
71.01389	2.4
71.16682	1.8
73.01157	0.8
74.61304	0.7
79.95728	2.1
83.01398	1.7
85.02942	0.7
86.03311	0.7
87.04511	1.0
92.98380	0.7
94.06619	4.7
95.01381	1.0
96.99313	2.6
98.00082	1.0
99.00872	2.8
101.02429	1.3
102.02740	0.6
105.00227	0.7
106.06661	0.9
108.92435	2.1
113.02460	0.7
121.05293	0.8
122.06103	1.0
125.03061	12.2
126.03705	0.9
134.06090	1.6
136.07686	12.9
136.48143	0.7
138.03844	3.3
147.19189	0.7
148.07681	7.8
158.92352	1.1
160.07674	1.2
163.69923	1.0
164.07161	18.3
165.07506	1.2
165.12695	1.2
166.13205	0.8
176.07204	2.1
177.07928	1.2
183.13899	2.7
184.14246	2.8
190.05063	2.0
192.06659	82.5
193.06970	4.7
204.06645	2.7
204.10275	1.6
205.07422	9.1
206.07701	0.9
227.12886	2.3
228.13235	4.1
231.09514	1.2
234.07568	0.8
237.06424	6.8
246.11888	0.9
248.09332	0.8
252.08778	33.6
253.09082	2.0
265.09570	12.1
270.14307	1.0
274.11615	1.3
288.47168	0.9
297.08545	6.4
302.10919	1.5
329.09595	0.8
330.10391	11.2
331.10696	1.1
357.14645	1.0
359.10641	1.8
373.12653	1.6
390.12546	100.0
390.25870	2.3
391.12930	15.2
391.17822	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01416	55.9
61.98816	100.0
71.61678	96.8
82.13954	60.4
180.53339	62.1
222.03313	60.0
247.94504	68.8
250.39879	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27623	4.6
54.45389	4.3
57.33765	4.3
59.01379	100.0
71.50918	6.6
85.17216	4.6
86.50092	4.7
101.95908	5.1
103.48489	4.6
110.68652	4.7
132.13513	5.1
257.17999	4.7
326.42438	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	75.7
61.98806	69.4
70.92976	100.0
150.07710	60.6
174.73761	58.9
177.95053	54.5
211.16876	55.1
218.07396	59.1
218.94212	58.1
299.23358	61.9
302.89209	69.5
307.82373	54.0
398.71680	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.35827	1.1
61.98837	4.8
63.36052	1.2
69.03451	1.8
71.01379	6.0
72.99306	1.3
73.04076	1.3
73.28444	1.1
75.00874	2.6
85.02972	2.6
89.02439	2.2
99.00856	1.6
101.02446	4.5
113.02446	3.3
116.99722	1.2
122.03647	1.2
125.02484	1.3
128.03552	7.4
130.08755	2.1
134.03767	1.7
152.04796	12.5
159.03009	1.7
161.04582	5.4
162.45387	1.2
167.07147	30.7
168.07513	1.4
180.95016	1.2
237.06097	2.1
237.59895	1.3
242.12164	3.0
284.05569	1.3
345.17886	2.2
347.54770	1.3
390.16898	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03446	1.1
57.97540	0.4
59.01376	8.2
61.98827	0.4
68.59182	0.4
70.99677	0.8
71.01383	4.9
73.02949	1.1
79.95711	0.6
83.01401	0.4
85.02954	1.5
89.02441	3.4
95.01420	0.7
101.02432	2.9
111.08177	1.6
112.98795	1.1
113.02454	4.2
119.03500	0.8
142.99887	0.8
161.04480	0.6
165.12843	23.0
166.13185	1.8
173.00946	1.6
173.96402	3.2
174.97205	1.0
179.05527	0.5
183.13892	81.1
184.14252	5.8
191.10829	0.5
197.15395	1.9
207.13869	1.8
209.11815	2.2
225.14925	1.6
227.12880	100.0
228.13213	8.0
241.14471	0.6
251.12904	4.3
269.13916	2.1
293.13934	0.6
334.24445	0.4
370.94608	0.4
389.18240	3.3
389.25333	0.9
390.18628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.1
61.98833	100.0
62.98558	0.4
70.01890	0.4
70.91460	0.9
71.01395	1.3
71.26588	0.4
71.49191	0.4
74.02503	0.8
78.17203	0.4
84.12157	0.4
85.02979	0.8
89.02482	0.9
89.49299	0.4
98.20509	0.5
98.59164	0.4
98.89384	0.4
101.02489	1.0
113.02464	0.5
115.55257	0.4
128.03593	0.8
129.10316	0.6
161.04623	0.5
358.22247	0.6
388.22702	0.6
389.18597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.5
61.98831	100.0
64.86923	0.4
69.03458	2.4
69.14266	0.5
69.73335	2.2
71.01379	2.3
74.02478	0.7
78.95935	0.7
85.02975	0.5
86.02463	0.4
87.00897	0.5
88.04034	0.5
89.02472	2.8
89.02918	0.4
90.20012	0.5
95.05075	0.5
101.02438	1.3
109.01720	1.5
113.02441	1.3
119.03502	1.3
121.02933	0.6
121.06626	1.7
122.38208	0.4
127.05175	0.7
128.03543	1.2
134.04762	1.5
143.04599	0.9
149.06073	0.5
150.03252	0.6
165.05573	2.0
166.05957	0.8
166.08795	0.5
193.05132	0.5
209.04520	0.6
210.07762	1.0
240.68533	0.5
258.14496	0.4
344.13678	0.6
345.11911	0.5
389.10519	1.0
389.14749	0.9
389.18912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18151	2.0
54.32267	2.4
59.01394	4.8
61.81741	2.3
61.98829	100.0
71.01389	2.5
73.01147	4.4
79.95717	3.1
94.35347	2.3
121.24047	2.7
197.62025	3.2
208.94859	2.2
246.18828	2.3
380.72586	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	389.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62817	1.4
52.19489	1.3
54.03508	1.4
59.01382	17.0
61.98841	1.6
65.77389	1.4
69.38496	13.8
71.01395	11.4
73.02928	3.3
83.01410	1.9
85.02938	3.2
89.02467	3.5
93.03472	4.1
99.13032	1.3
101.02441	6.2
113.02441	4.7
119.30962	1.5
121.02950	22.2
122.03776	12.0
133.02986	3.4
134.03748	56.5
135.04498	2.6
136.01628	1.7
137.02438	8.4
139.03986	4.1
142.99820	1.6
149.02437	39.9
149.06061	12.3
150.03229	93.2
150.76653	1.5
151.03546	5.8
164.04778	6.2
165.05568	100.0
166.05891	4.9
178.02716	29.9
179.03177	1.6
180.04321	7.1
180.43814	1.7
193.05057	84.2
194.05325	6.1
195.06621	47.7
196.06937	3.8
221.06041	2.7
227.13025	2.4
234.09827	1.5
239.07172	5.0
241.52940	1.5
250.06230	4.1
267.06586	2.7
282.09021	9.1
318.27945	1.6
341.10297	49.3
342.10632	6.1
386.01102	1.5
389.17816	2.5
389.25372	3.5
406.90326	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	388.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	0.8
59.01385	9.9
61.98833	100.0
71.01373	3.8
71.60216	0.6
72.00907	0.8
72.99314	0.5
73.02956	0.5
73.04076	1.7
74.02480	6.1
85.02942	1.1
86.02493	1.3
87.00903	0.9
87.05644	0.5
88.04093	0.5
89.02438	2.2
95.01375	0.5
99.05642	0.9
100.00438	0.4
101.02438	2.1
104.03508	2.0
110.95831	1.8
112.02862	0.5
113.02464	2.0
114.05643	0.9
116.07212	0.5
119.01437	0.7
119.03522	0.7
121.02937	0.6
123.04494	0.5
125.02504	0.4
127.05123	0.7
128.03549	7.1
129.03975	0.6
129.10339	6.8
130.08762	2.7
130.10724	0.6
132.04553	0.8
134.03767	0.9
139.08792	0.7
141.06691	0.4
143.04614	6.1
143.11917	1.6
144.05009	0.8
145.06212	0.9
149.02470	0.9
149.06055	0.5
150.03149	0.5
155.11928	1.4
160.00745	1.1
161.04521	0.5
163.11356	0.9
164.11755	0.6
165.05505	1.2
165.09273	0.6
166.09927	0.6
169.09901	1.2
171.07805	1.4
175.00459	1.0
176.00809	0.6
177.00919	0.5
179.04669	1.1
185.05696	0.9
186.12506	1.5
187.11058	0.5
190.02808	1.6
191.03030	2.5
192.03336	1.7
193.03517	0.6
193.05074	1.5
199.07219	0.7
200.14107	0.9
205.05019	2.1
206.05429	2.8
207.05609	2.3
207.68871	0.4
208.05841	1.4
210.08897	1.1
224.06543	0.7
226.07158	1.3
227.09280	0.6
242.18742	0.7
254.07861	2.2
256.20258	0.5
272.08902	3.3
273.06046	0.4
273.09232	1.7
292.36633	0.5
306.07602	3.2
307.07925	1.0
308.07443	0.7
313.22781	0.6
325.22574	1.1
341.10330	0.7
343.20007	1.9
344.20203	0.7
357.21417	4.3
358.21783	1.4
387.16891	1.6
387.22656	5.1
388.16992	1.3
388.22916	2.2
389.14478	1.2
389.18732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.9837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11545	4.2
52.18567	3.9
59.01376	33.0
60.01702	7.7
61.98522	5.6
61.98832	100.0
69.96964	23.5
73.01173	4.9
101.00652	6.6
112.93623	6.1
174.01596	8.8
217.01764	9.7
218.02005	11.8
219.01501	6.1
315.61053	4.1
381.56830	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	387.9836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	82.7
59.77069	7.3
60.01730	11.4
61.98829	100.0
64.27652	7.3
64.95250	15.4
66.94827	23.8
70.77528	22.8
71.01379	9.4
73.01154	14.5
75.86170	7.8
78.96832	15.2
80.96411	32.6
112.93608	35.7
125.01793	12.8
150.42830	8.5
177.42949	6.9
193.10904	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	388.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
61.98833	100.0
69.75668	1.4
71.01383	1.9
72.99320	0.3
73.02946	0.3
74.02487	1.8
83.01386	0.4
84.00916	0.4
85.02967	0.8
89.02441	1.8
98.20576	0.7
99.00912	0.5
101.02453	1.8
104.03551	0.6
110.95809	2.7
113.02447	0.8
113.12025	0.4
119.03542	0.7
121.03024	0.5
128.03568	1.2
129.10355	3.0
130.08730	0.8
134.03815	0.4
143.11925	0.6
150.03256	0.7
155.11971	0.7
161.04652	0.4
163.11305	0.7
164.11678	0.4
165.05588	0.5
167.10712	0.5
169.09872	0.7
177.01947	1.3
178.02306	0.5
187.10835	0.6
192.04326	1.2
193.04802	0.7
207.06683	2.2
208.06984	1.3
235.84042	0.3
319.80029	0.4
325.22318	0.4
353.13589	0.5
357.21371	2.0
358.21753	0.6
387.18030	0.4
387.22592	2.6
388.17261	0.7
388.22958	1.2
389.18530	0.7
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
51.20169	15.4
59.01367	26.4
61.98822	42.0
69.49548	100.0
69.49955	30.6
98.20576	37.6
116.92782	20.3
320.87314	21.2
374.13553	17.9
380.67108	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
69.41279	100.0
127.21560	13.5
280.26395	77.5
336.37134	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	387.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35525	1.2
55.61108	1.2
56.02178	1.3
56.44475	1.4
59.01381	100.0
60.01706	1.8
68.66949	1.2
70.63500	2.5
70.63870	2.9
71.56616	1.4
71.71880	1.3
87.00840	1.2
120.84613	1.3
127.24593	1.4
191.95921	1.3
219.32143	1.5
320.65845	1.5
348.06369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28206	1.2
57.03442	2.7
59.01384	13.8
61.98836	4.9
69.26571	13.5
71.01384	14.6
72.99289	2.0
73.02953	2.0
80.96516	2.5
83.01397	2.3
83.12801	1.2
85.02972	2.9
87.00887	19.1
98.22398	1.5
99.00874	4.3
99.04493	1.4
104.98416	1.4
111.00873	3.5
113.02442	2.1
115.00375	63.7
117.30011	1.1
128.03589	1.3
139.00374	6.9
157.01408	7.7
174.54680	1.2
175.02477	100.0
176.02785	4.6
215.12840	4.8
225.14934	4.3
237.15002	1.5
241.14473	5.2
247.13237	1.4
253.14479	1.6
253.17990	2.5
261.14841	3.9
269.13928	10.0
287.15015	7.8
307.15482	7.6
327.14432	7.9
339.20740	1.3
351.14584	1.3
387.15842	2.3
387.19998	3.0
387.24109	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	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03447	3.8
57.51838	0.2
58.00596	2.9
59.01380	65.2
60.01703	0.8
61.98825	0.4
67.54390	0.2
69.03451	0.3
69.62347	1.4
71.01382	45.3
71.05035	0.3
72.01720	1.0
72.99305	3.3
73.02948	7.2
75.00889	0.5
83.01387	4.8
85.02951	15.3
86.03252	0.5
87.00880	3.0
89.02444	35.7
90.02771	0.6
95.01388	3.9
97.02961	0.5
98.19961	0.3
99.00883	3.2
99.76493	0.2
101.02442	34.1
102.02780	1.0
111.00867	0.4
113.02448	16.8
114.02769	0.5
119.03498	15.5
120.03804	0.4
121.06510	0.2
123.08151	0.6
125.02422	0.6
131.03499	1.4
137.00780	0.2
137.09734	1.9
143.03499	2.0
149.04543	0.6
151.07664	0.4
151.11270	0.5
152.08466	1.1
152.21617	0.2
153.12840	0.8
159.02992	1.6
161.04559	5.2
163.11305	0.8
179.05640	2.1
179.14400	0.3
181.12318	0.9
195.13911	1.2
196.14163	0.2
197.15469	1.9
207.13855	2.5
225.14946	18.5
226.15317	1.7
297.16959	0.2
365.39935	0.2
367.22021	0.3
387.20218	100.0
388.20581	14.6
388.24783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52801	21.8
59.01375	100.0
61.98828	52.1
64.88616	18.9
71.09744	28.2
71.17897	21.1
93.07516	22.2
125.02256	22.4
147.85840	20.6
166.36140	21.5
190.40520	22.3
360.18433	23.5
388.96851	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01383	3.9
60.01748	0.4
61.98832	100.0
67.61675	0.3
70.92036	0.9
71.01385	3.0
73.01171	0.9
73.02959	0.6
83.01402	0.6
85.02966	0.8
87.00900	0.6
89.02461	1.6
101.02458	1.3
104.98366	0.4
113.02460	0.9
115.00360	1.0
123.04508	0.9
134.03778	1.7
146.03767	0.7
158.03703	0.4
159.04482	0.9
161.04631	0.4
163.11411	0.4
174.01740	1.4
175.02394	1.5
176.02821	0.6
193.05084	0.8
207.14027	0.5
247.03008	0.5
248.03163	0.6
281.08270	0.7
295.06158	0.5
310.08502	0.6
311.10272	0.5
311.18100	0.4
325.10889	0.7
355.09628	0.4
369.09955	0.5
387.10861	6.4
387.20468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35248	0.6
56.64075	0.7
57.03453	1.6
59.01382	10.7
61.98833	6.6
71.01039	0.9
71.01392	9.2
71.61357	1.2
73.02939	5.2
83.01389	1.5
85.02927	3.2
85.04041	0.8
89.02431	4.0
90.71282	0.7
91.57849	0.6
95.01369	0.9
96.96011	0.9
99.00883	1.1
99.04517	1.0
99.92578	3.6
101.02451	4.5
104.36615	0.8
106.03044	0.9
108.04523	3.3
109.06631	1.1
113.02426	3.2
115.92075	2.8
116.92859	14.4
117.92879	1.1
119.03521	1.1
121.02952	24.1
122.06110	2.9
123.08187	1.1
131.03680	1.3
132.04529	2.8
136.97350	3.9
139.00439	0.9
141.09222	1.0
143.04738	0.8
146.06097	1.1
147.03268	1.5
158.93796	0.8
159.03119	1.2
160.04039	19.0
161.04544	3.1
162.05592	1.0
174.05615	0.8
175.02690	1.2
177.03395	2.3
179.20439	0.7
186.02003	1.4
188.03510	11.8
189.04039	1.1
190.05110	1.5
191.03458	1.2
200.10796	0.9
202.04959	0.8
204.02985	5.4
207.13875	4.6
211.08722	1.3
211.12410	1.2
212.07249	1.7
213.06805	0.8
218.04579	14.1
219.05075	2.1
220.06117	1.9
223.08774	1.4
224.09358	1.0
225.05531	1.4
225.14999	1.0
235.02499	1.8
235.06078	1.6
239.08218	1.6
239.11893	3.9
240.05528	1.1
240.10275	1.2
241.06155	1.1
243.11404	1.4
250.04742	2.2
251.08244	3.3
252.08981	2.6
253.06155	1.9
254.06897	1.2
255.07710	1.8
265.07233	4.1
265.09671	1.3
266.08167	1.2
267.07947	2.1
267.11380	16.4
268.09695	2.3
269.09421	3.8
281.05692	13.6
282.06189	1.8
283.07144	2.3
283.10870	4.3
293.09341	2.3
295.07333	4.1
296.08008	5.4
307.06418	2.5
309.08759	2.6
311.10373	100.0
312.10669	13.3
315.09781	1.3
337.08261	11.5
338.08908	1.6
343.13068	3.6
355.09341	40.7
356.09534	5.6
364.31421	0.8
369.10110	1.9
387.07324	2.4
387.11868	26.4
387.20038	3.0
387.24185	10.4
388.12332	3.2
388.24286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2232
Annotation	Oleandolide
Peak:m/z	Relative Intensity
57.20037	0.5
59.01382	3.0
65.33268	0.4
66.49977	0.4
70.48432	0.9
70.48821	0.9
71.01364	0.7
72.99320	0.5
89.02437	1.7
91.04015	3.5
98.19897	0.6
121.02929	1.0
122.03712	1.3
123.04514	0.5
125.02467	0.9
126.03227	1.1
128.12862	0.5
129.61424	0.4
136.05304	0.9
137.70656	0.4
167.14377	3.4
168.55032	0.4
178.11478	0.4
193.15930	1.5
207.17545	1.9
223.20624	2.2
231.17540	0.5
233.15483	0.6
247.16959	0.7
249.18562	7.3
250.18915	1.0
267.19644	100.0
268.19965	11.8
275.16516	11.5
276.16852	1.7
293.17578	67.5
294.17923	8.0
311.18634	13.0
312.19070	1.5
367.21185	7.3
368.21689	1.0
385.22299	58.1
386.22653	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	385.2384
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
50.93064	0.6
52.70596	0.7
55.01871	1.9
59.01375	0.9
70.89066	1.2
70.89440	1.2
79.01897	2.8
85.06586	5.7
87.96098	0.6
91.05504	1.4
97.02969	1.4
107.05042	1.0
109.06591	9.2
110.06871	0.7
111.04524	7.6
118.62087	0.6
121.36936	0.7
135.04523	2.9
136.05176	0.9
149.06027	1.0
150.46758	0.7
151.03990	0.8
152.68211	0.6
153.05577	26.0
154.05922	1.0
161.79001	0.7
172.00021	0.8
179.03535	2.6
180.04320	3.2
191.67415	0.7
193.05066	0.8
194.05847	2.0
207.06616	1.1
208.07281	0.7
341.24887	8.3
342.25201	2.4
385.23843	100.0
386.24173	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	385.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	1.4
59.01365	4.6
61.35183	1.3
61.98832	100.0
64.14898	1.3
64.95251	1.8
66.52425	1.5
69.53098	3.8
69.53523	6.6
71.04046	1.4
99.92593	1.6
100.76214	1.5
117.58849	1.4
130.08734	3.0
137.91075	1.6
161.20058	1.3
173.00832	2.5
174.01653	1.5
214.29048	1.6
215.14467	2.0
217.01732	1.5
251.04034	1.8
322.20200	2.4
332.41516	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	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
56.99253	0.5
57.03451	2.5
58.00597	5.0
59.01379	100.0
60.01705	1.4
61.98827	0.6
66.09222	0.5
69.65300	0.9
69.65704	2.6
71.01382	71.7
72.01726	1.5
72.99310	4.5
73.02946	5.5
74.99087	0.5
75.00912	0.6
83.01380	3.2
85.02953	14.8
87.00888	3.9
89.02444	85.0
90.02771	1.8
90.70819	0.5
95.01393	4.4
97.02914	0.7
99.00857	2.0
99.04510	0.8
101.02445	40.7
102.02760	1.0
107.05043	0.5
111.91835	0.5
113.02448	27.6
113.95367	0.6
114.02760	0.8
115.08746	0.5
116.16116	0.6
119.03502	34.5
120.03818	0.7
123.08139	3.1
125.09700	1.1
128.57483	0.5
131.03502	3.5
135.08165	1.1
143.03496	5.7
147.08078	1.8
149.04570	2.6
153.08043	0.8
153.09216	11.7
154.09494	0.7
161.04568	7.1
165.09204	1.0
175.00305	0.5
179.04124	0.6
179.05621	10.7
187.11215	2.1
189.09209	0.8
190.02637	0.5
190.10005	0.6
193.68497	0.5
203.10599	0.7
205.04971	1.7
205.12335	12.5
206.12604	1.2
223.06073	0.8
223.13235	2.2
227.03401	1.8
255.02971	2.3
256.03522	0.5
284.03085	2.1
285.03824	1.1
304.06888	1.1
366.17557	0.5
385.18344	3.3
385.23740	0.9
386.18686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75401	0.5
55.01870	2.2
57.03441	3.7
58.00598	2.9
58.20253	0.6
59.01379	56.5
60.01729	0.8
69.03440	0.7
70.73517	1.5
71.01383	64.2
72.01725	1.6
72.99319	3.1
73.02950	11.5
83.01385	4.6
83.05013	0.9
84.02219	0.7
85.02436	1.0
85.02954	20.4
87.00880	3.2
89.02448	32.9
90.02776	0.8
91.66682	0.6
95.01385	4.4
95.05023	2.5
97.02946	7.0
99.00890	5.2
101.02445	32.2
105.07058	1.4
107.00012	0.6
107.05035	1.0
108.05808	2.6
109.02954	0.8
109.06599	1.3
111.00957	0.6
111.04547	1.6
113.02449	26.4
113.06060	3.0
114.02778	1.4
116.07169	0.6
119.03504	9.3
121.06612	1.4
122.03764	1.7
123.08150	4.2
125.02459	1.4
125.06075	3.2
129.01978	0.7
129.06689	0.9
131.03496	1.9
135.08211	1.1
136.05309	4.5
137.06061	1.0
137.50650	0.6
138.06871	23.5
139.07703	8.7
143.03540	2.7
147.08159	0.7
149.02405	0.7
151.07654	22.0
152.04779	2.5
152.08437	42.0
153.09213	100.0
154.09576	5.6
159.02982	4.0
161.04553	17.2
161.09645	0.7
162.04843	1.0
163.11237	2.9
164.04808	1.0
165.09253	2.5
165.74846	0.7
167.07147	2.2
175.00352	2.5
179.05646	2.6
189.09212	1.4
190.02713	7.5
190.10036	2.2
191.03064	0.6
205.05070	9.1
205.12326	32.2
206.05608	0.8
206.12659	2.9
223.06123	2.3
223.13367	15.0
224.13722	1.4
247.06200	0.5
262.62311	0.6
385.18347	5.4
386.19211	0.7
390.83707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59466	0.6
52.92377	0.5
58.80166	0.5
59.01379	100.0
60.01728	1.0
70.99593	0.7
71.01383	4.5
72.99217	0.6
73.01173	0.8
73.02956	1.5
75.00854	0.6
84.02173	1.4
85.02943	1.4
87.00877	1.2
89.02460	2.4
98.20654	1.0
99.04535	0.5
101.02448	1.7
104.98423	1.5
111.08119	0.6
113.02458	1.6
115.00394	0.9
120.32012	0.6
121.02987	0.9
149.06102	0.7
161.04483	0.6
169.29095	0.5
172.42589	0.7
174.01660	0.7
175.02533	1.4
179.10876	1.0
205.05119	0.5
205.12335	1.9
208.73955	0.5
217.01839	1.7
223.13423	2.4
322.78082	0.7
367.17545	0.9
385.18341	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
50.54652	1.2
50.67833	1.1
55.01880	1.3
57.03456	3.1
59.01379	35.1
61.98830	2.0
69.03474	1.6
69.50227	10.2
71.01382	33.5
71.76645	1.1
73.01183	7.4
73.02956	9.7
79.95732	3.0
83.01380	3.4
84.02172	1.4
85.02951	12.0
87.00874	5.1
89.02444	17.8
95.01389	3.8
96.99310	1.5
98.00080	1.5
99.00856	3.7
99.04526	1.8
101.02447	21.0
104.98384	1.7
109.02944	3.5
109.06639	1.9
113.02442	14.6
115.00357	2.8
119.03506	8.0
121.06657	1.3
126.55159	1.2
131.03491	1.4
135.11739	1.7
136.05347	1.4
137.09735	2.2
143.03424	2.2
145.02972	1.8
149.06047	1.4
150.06801	1.9
151.07639	3.4
151.11307	3.4
153.09213	7.5
159.03003	1.5
161.04568	11.7
161.09669	2.6
163.11310	1.6
174.01691	4.8
174.96747	1.2
175.02481	6.5
175.07616	8.4
177.12863	15.3
179.05609	2.6
179.10771	26.4
180.07941	7.3
181.05112	1.5
187.11267	3.4
189.09193	2.9
190.10014	3.4
193.08702	4.5
193.12350	1.3
203.10800	1.9
204.11526	4.3
205.12321	100.0
206.09491	1.5
206.12665	7.8
208.11084	3.5
215.05678	3.6
219.13943	3.4
221.11697	1.6
223.09801	3.7
223.13380	44.9
224.13734	4.4
227.03575	2.1
247.02852	4.6
254.15585	1.7
255.02963	4.7
258.22638	1.5
284.03308	3.5
285.03979	6.3
304.06226	2.1
341.16037	8.8
342.16605	1.3
367.17551	3.8
385.18674	56.3
386.18954	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	385.1141
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
52.37490	0.4
59.01378	11.3
70.42551	1.3
70.42923	0.4
71.01392	6.9
73.02937	0.4
74.56451	0.4
83.01396	0.5
84.31507	0.4
85.02969	1.7
89.02441	4.6
91.01933	1.4
93.03448	0.5
101.02433	2.7
109.31549	0.5
113.02453	2.8
119.01383	4.8
119.03544	1.5
121.02985	1.2
147.00891	4.0
149.02446	8.2
152.72336	0.4
159.62987	0.4
160.87276	0.4
162.03294	0.5
163.04001	0.9
164.04797	7.5
165.01949	1.8
169.05066	0.5
175.00371	29.7
176.00732	1.6
179.05710	0.7
179.07079	2.5
189.01927	0.9
190.02718	69.8
191.03055	5.4
193.01431	1.7
205.05052	100.0
206.05434	8.5
208.03764	3.0
217.01404	0.5
221.08179	1.9
223.06117	23.4
224.06468	1.8
232.03770	0.9
237.07689	0.8
247.06119	5.4
249.50389	0.5
250.04607	0.5
254.06833	0.4
255.02943	0.7
265.07169	3.3
295.08298	0.8
304.06964	2.4
304.56845	0.6
325.09244	2.6
383.05951	0.5
385.11337	5.7
386.11569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.0
61.98843	1.0
71.01382	7.8
71.37749	0.8
73.01204	0.5
73.02945	0.9
79.95744	0.5
85.02961	2.0
87.00913	0.4
89.02438	5.6
91.01906	0.8
93.03490	0.7
95.01394	0.9
95.93468	2.0
99.00883	0.8
101.02425	4.1
108.08199	0.6
113.02457	3.2
115.58088	0.4
119.01405	5.1
119.03492	1.7
120.18192	0.5
120.97865	0.5
121.02926	0.8
136.05298	2.8
147.00909	2.9
149.02435	5.6
151.07681	1.5
152.07161	1.0
152.08415	1.3
153.09215	1.8
162.06857	0.9
163.04008	0.8
163.07642	0.9
164.04793	6.4
165.01924	1.1
165.05145	0.5
175.00362	26.3
176.00691	2.5
179.07176	1.8
180.07857	1.9
181.05025	0.6
181.08704	4.6
189.01939	1.1
190.02711	73.0
191.03058	5.1
205.05046	100.0
206.05394	7.3
208.03830	0.6
217.01393	0.9
221.08192	1.5
223.06100	16.3
224.06396	1.4
232.03810	0.9
247.06082	4.9
248.06384	0.5
265.07172	3.8
295.08032	0.7
325.09253	1.9
326.09613	0.6
375.85712	0.5
385.00836	1.3
385.11362	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12893	1.2
57.03432	2.3
58.00587	2.0
59.01381	91.2
61.98833	100.0
64.91206	1.3
68.99815	5.7
69.03432	1.5
71.01385	29.9
72.99286	2.5
73.01173	43.7
73.02939	4.0
79.95734	2.4
83.01386	3.0
83.05023	5.4
85.02959	9.5
87.00883	14.6
89.00674	3.2
89.02443	7.7
93.03452	7.3
95.01373	11.1
96.02172	5.2
96.99329	9.9
98.00100	4.9
98.19914	3.9
99.00868	3.7
101.00635	9.8
101.02436	12.3
104.98391	28.0
111.04507	2.0
112.98825	3.1
113.02480	8.1
115.00372	37.8
115.02223	4.7
119.01712	5.6
119.03516	2.4
121.63090	1.4
129.99107	1.9
142.99757	1.4
143.01729	1.6
155.03506	12.6
159.01071	1.6
161.00928	2.3
161.04503	1.9
163.11240	4.6
168.98149	2.6
173.00835	2.9
174.01700	54.9
175.02481	77.9
176.02785	4.4
181.12379	10.7
187.00540	1.6
187.11331	1.4
189.12750	1.6
205.12338	4.1
215.05614	30.6
216.05960	3.1
223.13351	2.6
247.02811	39.5
248.03027	3.3
321.04724	16.3
348.20496	1.5
385.04340	5.1
385.17084	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	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24252	0.6
59.01386	4.8
61.98833	3.5
62.57036	0.6
69.40531	5.2
71.01390	2.3
85.02934	2.0
89.02464	1.2
89.95309	0.7
92.07433	0.7
93.03472	0.9
98.02500	0.7
98.19857	1.3
101.02450	1.1
104.98383	7.9
107.05027	43.2
108.05355	2.7
108.06089	0.9
119.05029	1.1
121.02969	1.2
123.04555	0.9
128.03535	3.2
135.04526	100.0
136.04839	6.5
144.07866	1.4
149.02477	4.0
151.04007	2.2
163.04041	1.0
164.04784	2.7
168.98195	1.2
169.06221	1.7
171.07809	1.7
174.01559	1.0
179.03500	36.9
180.03853	2.5
193.01317	0.8
203.04979	1.4
208.03743	1.8
210.94490	0.7
223.06184	4.6
224.06607	0.7
341.08685	1.1
385.01248	1.0
385.07520	1.6
386.20505	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	384.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	93.8
60.01714	14.4
61.98829	100.0
64.95252	12.3
65.94041	9.2
66.89162	5.6
66.94822	23.6
71.61203	9.0
73.01182	5.6
74.42794	5.1
79.95733	7.6
108.99529	30.5
109.99857	5.7
124.78632	6.5
169.41451	4.8
213.01990	4.3
217.01823	5.8
222.89470	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	384.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
61.31171	0.8
61.98832	100.0
64.95255	1.4
70.94414	0.8
71.32418	1.2
80.02592	0.9
81.93562	0.8
92.16621	0.7
104.98398	1.4
177.02068	0.7
185.36842	0.8
205.97900	0.8
223.33456	0.8
327.21832	2.0
385.17838	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	384.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01379	16.3
61.98831	100.0
71.01382	12.8
71.61788	0.9
72.99325	2.1
73.02950	1.5
80.89326	1.0
81.18404	0.9
83.01364	1.2
85.02945	3.0
87.00877	1.8
89.02437	9.5
101.02428	4.3
104.98391	1.4
113.02457	5.2
119.03493	3.6
133.10226	1.1
135.11763	4.3
141.43733	0.9
150.81529	0.9
159.10243	4.0
161.09717	8.7
179.05554	1.3
179.10768	25.2
203.10738	3.4
205.12262	1.2
223.09743	17.3
223.13258	1.1
265.10681	2.1
321.15533	15.4
322.15607	2.0
323.04935	0.9
385.18814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41187	1.8
59.01380	100.0
60.01727	2.0
61.98811	3.0
63.07483	1.6
66.11919	1.7
69.96265	8.8
81.96596	1.7
89.43053	1.9
152.37968	2.2
164.16811	2.0
244.14551	1.9
270.08749	2.4
275.48166	2.4
287.91299	1.8
384.22586	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.6
65.32107	1.3
68.99821	14.0
71.01387	21.7
72.99332	2.0
73.01175	63.6
73.02936	4.3
79.95734	4.7
83.01398	2.8
83.05021	7.0
85.02950	3.4
87.00883	15.9
89.00681	3.0
89.02451	5.2
93.03455	12.1
95.01397	12.1
96.02170	9.9
96.99318	16.7
98.00096	6.5
99.00890	3.1
101.00668	13.0
101.02442	4.8
104.98390	33.4
109.02966	1.9
111.04549	4.6
111.92948	1.9
112.98844	3.3
113.02482	4.0
115.00383	44.9
115.02209	10.1
115.03987	1.6
119.01694	7.2
119.03505	2.5
119.81581	1.3
124.09336	1.4
129.99103	2.5
137.00993	5.9
143.01698	4.5
143.90189	4.1
155.03526	18.2
157.03333	2.4
161.00909	1.9
168.98210	2.8
174.01698	71.7
175.02489	100.0
175.04175	3.4
176.02815	4.6
187.00703	2.8
205.12367	3.0
215.05627	51.4
216.05948	2.9
219.03325	2.0
247.02827	78.6
248.03165	6.9
321.04715	26.1
322.04922	2.5
385.04785	8.9
385.18588	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	384.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.2
58.02975	4.6
59.01375	15.0
61.98810	2.5
63.94462	4.4
64.95245	3.2
69.72394	5.9
69.72796	4.3
71.01395	10.6
72.99267	2.2
73.02936	2.5
73.62362	1.8
74.00700	6.9
74.02482	11.3
75.00857	3.5
78.96804	7.0
82.02969	5.8
83.01381	4.6
85.02949	6.0
86.02486	5.6
87.00872	7.0
87.05622	2.9
89.00674	2.3
89.02419	2.7
95.93463	2.5
97.04079	12.0
99.00861	2.6
99.05630	8.8
100.00412	12.0
101.02473	3.6
102.00177	4.6
102.05677	2.1
105.99680	10.7
107.29721	1.7
112.04070	1.7
113.02448	3.8
114.05570	2.6
115.00364	12.5
121.02943	2.1
121.85769	1.6
125.02401	1.8
125.03490	2.1
125.07210	2.2
127.05151	3.0
128.03539	63.8
128.55432	1.7
132.78148	1.5
135.05656	4.6
141.03032	1.9
141.06654	2.9
143.04614	33.5
146.04604	4.0
149.02440	13.7
151.05133	2.7
152.01224	2.0
153.06700	4.1
160.00739	5.6
163.03951	2.4
164.04774	9.9
169.06198	13.1
174.01688	66.0
175.00331	8.3
175.01936	10.5
176.07193	2.3
179.04649	10.7
179.07140	4.7
185.03830	6.1
185.05511	2.4
190.02695	18.6
193.01381	3.6
197.05682	5.9
203.05019	5.7
205.05055	25.1
208.03723	10.1
210.08847	7.0
222.12381	2.0
223.06122	34.8
251.09233	2.8
254.07796	12.0
255.02878	2.2
265.07126	2.2
267.08737	1.9
272.08896	30.1
273.09158	3.5
286.05008	7.3
295.08133	10.3
300.02744	2.0
304.02963	3.3
304.06125	40.6
305.06705	2.3
325.09360	15.2
374.98828	1.8
384.03571	5.3
385.11417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47829	1.2
57.03441	2.8
59.01379	100.0
60.01709	1.4
60.04913	1.1
60.99282	1.6
61.98825	3.2
71.01378	26.4
71.05006	2.2
72.99313	1.2
73.01174	1.7
79.95754	1.4
83.05054	1.2
85.00609	1.3
85.02949	3.6
87.00879	4.1
89.02445	2.4
99.00867	1.3
101.02470	2.3
104.98342	1.9
113.02500	2.3
115.00375	17.4
133.01436	14.4
161.13310	2.8
177.12703	1.4
195.13762	1.4
207.10173	2.1
221.11674	1.3
223.13383	93.6
224.13754	8.0
224.18439	1.3
239.12820	1.9
250.06267	2.9
267.12366	48.8
268.12683	4.7
293.04526	1.5
294.05432	1.5
314.59406	1.4
322.04276	1.4
323.09717	1.5
337.07053	5.2
352.09366	2.0
353.06287	1.6
368.08929	1.9
383.11853	2.4
383.16867	5.3
384.21317	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02417	0.6
59.01381	100.0
60.01727	1.3
61.98829	4.0
71.01390	6.0
71.60838	0.8
72.03401	0.7
73.02951	2.5
79.95763	1.4
83.01405	1.4
85.02969	2.7
87.00886	1.7
89.02435	1.7
95.69319	0.7
99.00883	1.4
101.02451	6.2
112.83689	0.6
113.02478	2.5
130.18272	0.6
137.09711	0.9
161.04602	2.9
163.11336	1.6
174.01733	1.2
178.06418	0.8
179.10861	1.0
203.10742	3.8
220.11127	1.1
221.11858	3.8
323.10077	0.8
323.17169	3.4
383.12491	0.9
383.17188	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	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01732	0.8
61.98830	1.9
63.13552	0.6
65.22295	0.6
69.35718	6.3
74.18382	0.6
84.74883	0.7
90.22905	0.7
129.51094	0.7
146.96637	0.9
322.27646	0.8
325.18430	0.8
388.62549	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	383.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.7
61.98837	1.8
63.94459	9.8
64.95250	100.0
65.03975	1.7
65.95179	1.1
70.99619	3.0
71.01388	2.2
71.31564	1.7
73.00758	1.8
73.01173	38.8
79.95737	3.2
82.59448	0.8
85.02955	4.0
89.02483	1.1
94.52396	0.9
95.91673	4.2
101.00678	11.6
101.02460	1.1
104.98390	10.6
105.03801	17.5
109.08628	0.9
112.98805	1.4
113.02483	1.6
117.00142	1.4
119.05025	2.2
126.98631	1.2
137.01007	19.0
143.90128	1.2
144.65790	0.8
144.99730	1.0
168.96965	1.0
168.98175	4.6
170.91112	1.0
173.00952	2.0
174.01762	2.0
188.29173	1.0
217.01747	42.8
218.02113	2.4
225.15031	1.5
241.89372	0.9
245.01213	1.2
309.20645	8.6
310.20996	1.3
341.10797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95763	0.9
57.61898	1.0
59.01379	100.0
61.98830	2.8
63.94477	6.5
67.25372	1.0
69.30224	8.7
71.01366	2.0
72.70667	1.0
78.96818	35.5
79.95753	1.4
85.02952	2.9
89.00650	1.8
89.02442	1.2
96.92362	1.2
99.00886	1.5
101.02431	1.5
112.98811	1.5
113.02416	1.8
115.81203	0.9
117.99265	1.1
160.74190	1.0
171.52313	1.1
173.00916	1.9
177.05617	1.4
179.06126	1.3
198.05928	1.5
201.04013	8.0
201.72353	1.0
233.34302	1.1
262.17163	1.1
323.02457	1.2
354.48755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01701	10.4
60.72182	3.1
61.98823	13.9
63.81812	3.3
64.95242	6.1
70.18279	7.7
70.18667	10.8
73.01181	7.0
79.95740	5.0
104.98361	4.2
105.98760	3.6
106.69180	3.8
106.97964	29.8
106.99958	10.6
107.98308	4.4
108.97539	4.0
112.98796	4.0
137.27380	3.3
143.70410	3.1
152.60129	3.3
220.35649	3.8
245.84264	4.2
381.29196	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	382.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22958	1.7
59.01376	17.6
61.98833	100.0
71.01374	1.5
71.60992	2.0
72.46635	1.7
73.01175	4.0
79.95726	4.2
95.01387	1.5
104.98366	4.0
121.02945	1.9
143.14696	1.5
143.90144	2.9
173.00873	3.7
179.48398	1.6
218.88461	1.7
245.01328	1.7
273.09088	1.8
275.59814	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	382.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.5
59.01381	3.8
59.88643	0.5
61.98830	100.0
68.21323	0.5
71.01390	3.1
71.60692	0.9
78.95916	0.7
79.95766	0.9
80.96531	0.6
85.02958	1.4
87.00900	1.0
87.25700	0.5
89.00700	0.8
89.02461	1.4
99.00906	0.8
101.02442	1.4
109.85638	0.5
113.02495	0.7
114.05650	0.7
121.02963	0.5
132.04651	0.6
142.99855	0.8
148.04396	0.6
153.06879	0.5
158.06042	2.4
160.04044	1.7
160.07671	1.1
173.00967	1.1
174.01651	0.6
196.41707	0.6
202.05090	0.5
203.10732	0.6
218.04649	0.7
221.11861	1.3
248.09296	0.9
283.93680	0.7
288.72128	0.5
338.20529	1.0
382.11182	1.3
382.19315	3.6
383.13687	2.4
383.22412	0.5
409.17471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	1.2
61.98830	3.2
69.35464	1.0
69.40768	7.4
78.95901	28.1
96.96964	1.4
109.06598	0.8
109.43544	0.8
138.06743	0.9
146.96553	0.9
149.06062	1.7
151.07697	2.4
152.99590	39.2
170.05853	3.5
171.00584	1.2
203.35451	0.8
227.20244	1.2
233.19066	3.0
235.20769	1.9
247.45607	0.9
251.20142	3.1
277.18079	78.5
278.18427	9.7
279.19653	29.3
280.19992	2.9
295.19135	100.0
296.19440	12.2
297.15350	1.1
363.25430	16.4
364.25922	2.6
381.20901	4.9
381.26266	6.5
381.37210	1.0
382.26846	1.4
391.42883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	14.2
61.01798	6.6
61.98831	34.0
70.00134	23.6
71.01363	9.5
73.01210	11.2
79.95752	17.1
80.32918	5.5
80.96539	5.4
82.88457	5.1
104.98404	9.6
106.97995	6.1
117.98130	4.9
119.74405	5.8
130.00562	7.3
130.99750	7.1
137.06088	5.7
138.06432	11.1
147.75600	6.0
155.78152	5.9
158.63307	4.8
173.00964	6.4
182.05389	4.9
207.16531	5.8
221.03128	4.9
297.31927	5.5
382.07034	31.2
383.06464	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	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15167	1.0
55.30079	1.0
56.93580	1.1
59.01380	1.6
59.96728	1.5
61.98839	2.0
69.42947	8.6
71.03157	1.1
74.77088	1.1
74.99071	21.5
75.96204	2.2
89.49297	1.1
91.02213	45.7
92.02147	1.6
93.00129	14.9
94.53589	1.5
98.20731	1.0
137.23952	1.1
144.33989	1.0
159.08469	100.0
160.08716	5.6
161.06412	12.2
303.81638	1.2
351.38284	1.0
365.11017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	1.2
63.10150	0.4
63.78906	0.4
68.51611	0.4
71.01377	0.4
71.60798	0.5
72.88338	0.4
79.95765	1.9
80.96507	0.6
84.02190	0.4
85.60036	0.4
106.98070	0.4
112.93748	0.8
128.03503	0.8
143.04680	1.0
151.00385	0.6
153.99486	0.5
233.71484	0.4
301.03629	1.2
310.88919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17112	0.3
55.01881	3.8
57.03449	2.7
58.00588	1.7
59.01378	29.6
60.01717	0.6
61.98825	0.8
68.99812	0.7
69.03468	1.6
71.01382	36.6
71.05016	0.5
71.60375	0.3
72.01720	0.8
72.74654	0.3
72.99312	2.2
73.02949	18.3
73.06616	0.7
75.00871	0.7
79.95753	0.5
81.03457	0.4
83.01391	15.2
85.02951	21.7
86.00098	1.2
86.03282	0.4
87.00864	2.1
87.04534	0.4
89.02444	4.5
92.02298	0.3
95.01394	2.9
97.02955	1.1
99.00884	8.1
101.02444	48.4
102.02763	1.4
103.04017	1.8
111.00901	1.2
111.92948	0.8
112.93746	0.4
113.02451	15.1
114.02789	0.6
115.04005	0.4
116.07180	0.5
119.03507	1.2
125.02461	1.7
127.04042	0.5
129.01947	1.1
135.04285	0.3
139.08841	0.3
139.83368	0.3
141.01910	0.3
143.03496	1.8
143.07140	0.6
145.05070	1.0
159.03006	3.6
161.04558	15.5
162.04839	0.8
163.06110	0.8
187.06058	0.3
204.06638	0.4
205.03593	0.5
208.28624	0.3
229.07159	0.7
235.11861	100.0
236.12201	6.4
242.69742	0.3
247.08275	0.7
249.63519	0.3
264.08780	1.1
279.10876	1.0
381.17661	24.8
382.17950	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	380.1562
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
58.00570	0.7
59.01093	0.9
59.01382	18.2
61.98815	1.0
64.49538	0.5
66.85139	0.5
67.98931	0.6
71.01383	35.1
71.05022	6.7
72.00922	0.6
72.01726	0.6
72.99319	0.7
73.02959	1.3
83.01372	1.2
85.02961	2.9
87.00871	0.8
88.04040	5.3
89.02448	10.5
94.77805	0.5
99.04527	1.7
101.02435	8.4
113.02454	5.8
115.80508	0.5
116.03558	1.5
116.07175	1.8
119.03503	3.6
128.03424	0.8
128.07179	2.1
129.05618	0.9
133.62323	0.5
146.08232	61.8
147.08546	2.4
161.04634	1.4
200.09250	1.2
229.28290	0.6
263.11362	1.4
308.13556	6.9
362.14694	1.9
380.15594	100.0
381.15903	11.5
387.52594	0.6
396.92255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98030	3.7
57.03436	4.5
59.01381	18.9
61.98832	10.4
63.96208	1.7
68.99816	1.5
69.73617	8.7
70.99613	2.5
71.01381	13.3
72.28246	1.2
72.99306	3.4
73.01176	1.7
73.02946	1.5
76.88269	1.2
79.95728	5.6
80.96516	4.9
83.01398	6.0
85.02941	6.7
86.99107	16.6
87.00893	2.4
89.02432	2.4
96.96017	1.7
98.99113	2.0
99.00881	21.3
101.02433	4.4
102.96826	9.9
103.20309	1.2
106.98096	2.1
111.00932	6.8
112.93752	1.8
112.98814	81.0
113.02477	1.8
115.00387	3.8
124.04070	1.2
124.98796	3.1
129.01900	5.2
132.97838	3.3
142.99863	41.1
143.04622	5.3
144.00252	2.2
145.01422	4.9
149.02449	1.5
152.96822	3.8
156.45590	1.4
167.65111	1.2
168.99646	2.2
173.00909	100.0
174.01712	10.2
175.02461	1.9
211.07195	1.4
229.01735	1.8
242.99710	4.5
244.00200	1.6
247.02791	17.3
255.06296	2.6
273.07285	2.8
301.79269	1.4
317.01697	2.7
381.07944	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	381.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
63.94469	3.8
64.37504	1.3
64.95248	17.6
65.58511	1.2
71.04849	2.5
73.01173	5.6
79.95745	1.7
85.02952	4.8
86.18784	1.4
101.00676	11.6
106.99960	18.7
110.18732	1.2
137.62428	1.2
144.99629	1.8
217.01762	66.1
218.02048	4.2
241.35130	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	381.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53653	0.9
59.01376	6.4
61.43716	0.9
61.98831	6.3
69.57476	6.3
71.01373	4.3
72.00920	2.5
73.08144	0.9
78.95889	1.4
87.00864	3.1
89.02458	1.4
92.05061	2.2
96.96068	1.0
96.96936	1.3
100.04038	1.2
101.02452	1.3
113.02418	1.2
114.09140	1.2
116.05051	4.4
120.89270	1.1
130.08780	1.5
131.03755	2.1
132.04558	7.2
142.06606	2.7
144.04582	7.7
144.08069	1.2
154.06548	2.1
155.06146	1.6
156.06897	4.5
157.07683	5.9
158.06076	2.5
159.05643	2.2
160.04028	10.2
161.04445	1.3
167.06169	9.9
169.07680	4.1
170.31123	1.0
171.09285	7.9
173.07178	8.8
174.05499	1.1
181.07712	56.2
182.06216	2.4
182.08014	5.0
187.08788	1.4
188.05884	1.8
197.07231	4.4
199.08766	34.7
200.09059	2.3
201.06729	5.7
213.06735	1.0
217.09837	4.3
226.05153	2.9
226.94035	1.1
242.19794	1.2
243.07756	26.1
244.08086	1.1
251.77454	1.0
261.08780	100.0
262.09149	7.5
273.08786	2.6
291.09933	1.9
296.39334	0.9
319.12964	1.4
333.66129	1.1
363.11884	4.0
364.11746	1.3
381.08496	1.2
381.13019	16.6
382.13077	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01382	99.1
60.01715	2.3
70.10854	1.4
70.73814	3.1
71.01387	9.9
71.97053	1.4
72.99278	1.7
73.02950	4.9
78.95921	1.5
83.01410	2.2
85.02957	6.9
85.18181	1.4
89.02464	4.4
94.72314	1.2
95.01414	1.7
96.00889	2.3
98.02508	2.0
99.00880	3.2
99.04523	83.8
100.04868	2.4
101.02445	27.6
112.48280	1.3
113.02438	6.9
113.03566	1.7
113.22952	1.6
116.07154	1.3
117.07488	2.4
125.02452	31.2
128.03563	4.0
134.04726	1.4
137.02466	1.6
143.03516	3.3
143.04607	2.8
155.10806	9.2
161.04602	4.0
171.10262	5.5
199.09734	3.0
213.11310	2.0
217.10796	16.5
218.10938	1.5
219.48808	1.5
224.97115	1.4
233.06624	1.5
235.11845	19.0
236.12207	1.5
259.11697	2.1
265.49326	1.5
277.13080	1.5
285.09055	1.8
341.10785	2.7
344.13281	5.7
361.15930	1.7
377.52051	1.3
379.16031	30.1
380.16443	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2854
Annotation	Persin
Peak:m/z	Relative Intensity
59.01380	1.7
61.98847	2.3
75.90209	1.5
98.20636	3.6
99.92625	2.5
103.14556	1.3
118.82665	1.5
118.90040	1.8
125.79504	1.3
153.27399	1.6
176.46355	1.5
179.05417	1.5
191.68251	1.7
200.82774	1.3
224.25746	1.4
240.65852	1.9
242.14986	1.5
294.09088	1.9
295.08649	7.6
347.25726	7.5
363.15094	13.0
379.28519	100.0
380.28809	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	380.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	13.8
64.95245	7.0
69.27567	9.5
69.27986	15.5
74.00713	7.9
74.02482	19.8
82.02979	6.9
86.02465	15.0
86.06082	3.1
87.05648	3.1
92.22002	2.4
97.04086	4.6
99.05636	21.2
100.00411	22.2
101.07231	3.0
102.05635	3.3
105.86027	2.3
105.99674	2.5
106.99911	2.9
109.04095	3.5
123.05582	3.3
128.03545	90.0
129.03822	3.8
135.05644	5.4
141.06728	2.8
143.04620	100.0
144.05003	4.7
146.04616	9.6
151.05130	3.7
153.06703	3.6
166.09857	4.9
167.04588	3.3
167.08319	3.4
169.06201	14.6
175.01826	8.9
179.04657	19.3
181.06183	2.8
184.27202	2.9
185.03963	7.0
185.05664	4.5
197.05637	6.4
203.04956	7.9
210.08850	20.1
218.11197	3.8
220.10007	3.2
254.07811	32.9
272.08859	56.3
273.09225	5.0
286.05185	4.6
304.06055	10.0
321.41052	2.5
380.09381	19.4
380.16385	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	379.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
64.94479	2.5
69.72449	14.4
73.01180	8.9
101.00675	9.5
104.16848	2.5
104.63474	2.5
104.98387	11.5
112.98832	5.4
125.22821	2.7
129.00166	32.4
162.03407	2.8
173.00902	19.6
177.95081	2.8
197.65155	3.0
215.70518	3.2
217.01764	10.0
217.80310	3.1
219.03284	8.1
231.47194	2.8
264.62030	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01382	99.1
60.01715	2.3
70.10854	1.4
70.73814	3.1
71.01387	9.9
71.97053	1.4
72.99278	1.7
73.02950	4.9
78.95921	1.5
83.01410	2.2
85.02957	6.9
85.18181	1.4
89.02464	4.4
94.72314	1.2
95.01414	1.7
96.00889	2.3
98.02508	2.0
99.00880	3.2
99.04523	83.8
100.04868	2.4
101.02445	27.6
112.48280	1.3
113.02438	6.9
113.03566	1.7
113.22952	1.6
116.07154	1.3
117.07488	2.4
125.02452	31.2
128.03563	4.0
134.04726	1.4
137.02466	1.6
143.03516	3.3
143.04607	2.8
155.10806	9.2
161.04602	4.0
171.10262	5.5
199.09734	3.0
213.11310	2.0
217.10796	16.5
218.10938	1.5
219.48808	1.5
224.97115	1.4
233.06624	1.5
235.11845	19.0
236.12207	1.5
259.11697	2.1
265.49326	1.5
277.13080	1.5
285.09055	1.8
341.10785	2.7
344.13281	5.7
361.15930	1.7
377.52051	1.3
379.16031	30.1
380.16443	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	378.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27154	1.0
59.01374	2.3
61.98833	100.0
70.52698	1.3
70.53051	4.2
71.01378	6.2
79.95718	1.2
82.16985	1.2
87.99545	1.2
101.98102	6.2
110.07976	1.4
150.56119	1.3
155.99144	3.4
157.12439	1.1
162.19469	1.1
177.09155	2.0
192.11583	5.9
218.09326	1.8
220.14670	35.7
221.15463	55.4
222.15770	5.1
231.17598	1.8
236.10539	39.0
237.10936	4.1
259.24594	1.2
275.16541	3.8
293.17618	9.3
294.18051	1.3
305.12405	5.5
306.13187	3.3
311.09427	1.3
360.14246	7.6
378.15308	49.4
379.15555	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	379.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57036	1.4
51.79792	1.4
57.52544	1.3
59.01381	100.0
63.74089	1.3
63.94472	2.5
71.01384	3.3
73.01173	7.8
78.96825	2.4
79.95733	4.2
85.02937	1.4
96.96005	2.5
98.19832	2.9
99.00872	4.8
104.98384	39.8
112.98800	10.5
112.99474	1.6
115.00343	2.0
124.95577	3.0
128.03525	5.4
131.21019	1.6
141.00224	3.3
142.99867	4.4
143.04596	4.4
173.00891	19.4
174.01604	2.4
175.02437	2.5
245.01231	3.1
247.02834	1.5
254.07921	1.8
272.08826	1.8
306.07681	3.9
347.03503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	13.2
59.01382	9.2
61.98838	3.9
66.03478	2.6
69.37370	1.2
69.96220	5.3
71.01385	2.0
72.00944	1.4
73.01172	27.6
74.02477	24.5
81.04564	1.5
82.02974	2.9
84.04543	1.7
85.02918	1.4
86.02483	11.5
87.05620	6.1
88.04038	1.3
96.04522	1.5
97.04066	2.5
98.00838	1.0
98.19905	1.8
99.00858	1.2
99.05647	29.3
101.07202	4.6
102.05591	4.8
105.03780	4.6
107.06084	1.6
109.04073	4.9
109.07761	1.7
111.05632	3.1
112.04021	3.8
113.03513	1.6
117.12609	1.3
123.05622	2.8
125.03531	3.1
127.05100	3.7
128.03542	64.2
129.03874	1.8
135.05678	7.4
141.06683	3.5
143.04625	100.0
144.04961	3.5
145.06155	3.9
146.04590	13.0
149.07216	1.6
153.06674	6.1
166.09824	3.4
167.04578	4.5
167.08215	5.8
170.03310	2.4
171.04117	3.1
179.04620	24.0
180.05009	1.7
181.06194	2.6
184.10779	1.7
185.05684	3.9
187.36922	1.2
192.07816	1.8
197.05664	4.6
210.08835	23.6
211.09215	1.5
228.09785	2.4
249.09056	4.7
254.07826	44.9
255.08115	3.2
272.08890	44.4
273.09250	3.4
306.07556	3.7
319.13928	1.7
330.81610	1.5
360.12448	6.4
378.13345	40.0
379.02969	1.5
379.13690	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	378.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	11.9
58.99604	0.7
59.01381	11.9
61.98830	2.4
63.49398	0.5
66.03488	0.9
69.73412	1.3
69.73817	2.2
70.02988	2.3
71.01392	3.9
72.00919	2.9
72.04581	0.5
73.02967	0.7
74.02474	27.2
79.95729	0.6
81.04569	1.2
82.02982	3.4
83.02531	0.5
84.04554	1.3
84.86978	0.5
85.02969	1.3
85.04063	0.5
86.02482	12.4
86.06129	1.0
86.99117	1.5
87.02814	0.6
87.05641	7.8
88.04062	1.0
89.00692	1.3
89.02467	2.2
90.00181	3.0
96.04539	0.6
97.04086	3.6
99.05649	23.2
100.00420	1.2
100.04075	0.6
100.05986	0.6
101.02450	1.5
101.07202	4.3
102.05634	3.0
104.98386	10.6
107.06152	1.1
109.04070	3.7
109.07723	1.0
110.02475	0.9
111.05640	2.1
112.04059	3.2
113.01340	0.6
113.02454	1.1
113.03584	1.0
113.07128	0.4
116.01777	1.8
119.03506	0.6
120.01273	1.5
123.04523	1.5
123.05644	2.8
124.04059	2.0
125.03580	2.7
125.07188	1.0
126.01953	1.0
127.05132	6.2
127.08784	0.8
128.03542	78.0
129.03903	3.0
129.99727	0.9
131.04642	1.7
133.04395	0.6
135.04576	1.2
135.05659	4.7
137.07236	2.5
141.06691	6.3
142.07082	0.6
143.04628	100.0
144.01227	0.6
144.05031	2.9
145.06198	5.2
146.02866	2.5
146.04591	8.9
149.07214	0.7
149.59993	0.6
153.06688	5.4
155.08276	1.3
157.08708	0.6
160.00742	17.7
161.00984	0.7
164.08272	0.6
166.09811	3.2
167.04602	5.9
167.08232	3.2
168.04950	0.7
169.06158	1.1
171.07716	3.3
177.03374	7.3
179.04617	17.5
180.04974	0.8
181.06201	4.0
184.10895	1.3
185.04074	0.8
185.05637	3.7
187.07246	2.3
192.07776	1.8
197.05598	2.6
198.08853	1.4
203.01498	0.6
210.08849	16.3
211.09151	1.4
215.04982	0.7
215.06900	0.5
228.09915	1.0
229.08606	0.6
231.04425	1.4
236.98553	0.5
242.07823	2.2
249.03329	0.6
249.05641	2.6
254.07828	27.5
255.08128	2.1
272.08878	50.4
273.09399	4.3
288.06586	11.2
289.06873	0.7
306.07657	92.9
307.07919	7.6
319.13815	1.3
331.11761	1.2
341.10715	1.2
378.08026	5.9
378.12650	0.9
379.08386	1.7
379.15637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	8.3
70.06311	8.7
70.06679	4.3
72.00914	3.0
73.01176	8.3
74.00696	7.9
74.02473	22.2
82.02965	8.6
85.04079	2.9
86.02484	8.2
87.05633	5.0
97.04086	18.2
99.05661	16.9
100.00401	24.6
102.00197	8.6
104.98364	3.0
105.99065	2.3
105.99683	15.9
125.03610	2.6
127.05109	4.2
128.03535	100.0
129.03847	3.0
135.05640	9.7
141.03075	5.2
143.04633	63.7
146.04567	6.6
151.05156	4.4
153.06700	11.6
160.00723	6.9
169.06200	24.7
175.01842	24.1
179.04620	20.2
185.03888	5.7
194.53633	2.6
197.05632	10.0
199.76460	2.7
203.04956	8.4
210.08846	12.5
226.08366	3.5
230.57256	2.4
254.07863	18.8
272.08914	35.3
286.05002	11.1
304.06079	51.8
305.06491	4.3
306.07501	2.7
349.13724	2.4
378.07965	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	378.08
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76071	2.1
56.98029	2.9
58.02972	10.4
59.01377	23.5
61.98824	4.9
63.94466	11.3
66.03515	2.1
69.60567	13.4
69.67776	2.1
70.99612	2.9
71.01379	13.3
71.50723	1.9
72.00896	3.5
73.02947	3.5
74.00711	9.3
74.02478	25.6
78.95910	3.8
79.93976	2.6
82.02991	6.9
84.04528	2.0
85.02959	4.1
86.02479	10.6
87.05635	8.0
89.02465	19.0
89.82331	2.3
94.96335	2.7
97.04109	5.0
99.05638	23.7
100.00397	14.5
101.02438	11.1
101.07198	5.2
102.00159	2.2
112.04058	5.2
113.02451	3.8
114.00173	5.5
116.07183	7.6
119.03470	4.0
127.05108	4.4
128.03552	95.7
134.04726	5.1
135.05638	4.6
141.06700	5.1
143.04630	100.0
145.06157	3.2
146.04573	10.1
146.98222	2.7
147.39873	2.3
148.04416	3.2
149.04541	9.6
153.06764	5.4
160.00754	10.0
161.04506	2.1
166.09879	2.9
167.04663	5.1
167.08192	2.6
169.06169	10.0
171.15030	3.3
175.01840	4.5
177.03262	2.8
179.04567	21.5
181.06090	3.6
184.10855	7.3
185.03893	3.2
185.05635	4.0
197.05737	4.7
203.04938	8.3
210.08835	20.0
213.34741	2.7
228.09882	10.7
254.05379	3.1
254.07840	32.2
255.08138	2.4
272.08893	80.5
273.09183	4.8
276.61966	2.2
282.51257	2.9
286.04904	6.4
288.06635	5.0
304.06055	9.6
306.07672	31.5
337.04153	26.7
338.04465	3.0
340.87369	2.1
341.10782	3.6
378.08124	12.9
378.15085	4.0
378.20081	8.0
379.15906	5.0
382.50922	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	378.08
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96127	1.9
57.03452	2.3
58.02978	10.5
59.01392	8.7
69.89413	8.0
70.02959	2.6
71.01387	5.2
74.02472	30.8
82.02967	2.7
85.02937	3.0
86.02477	12.1
87.05647	8.2
89.02464	2.7
90.00203	3.0
97.04080	4.2
99.04527	2.7
99.05650	20.3
100.00366	1.6
101.02424	2.8
101.07207	4.6
102.05582	4.2
104.98390	9.9
109.04081	4.2
109.07706	2.1
111.05659	3.3
112.04033	4.3
113.03524	2.5
122.99816	1.6
125.02406	1.9
125.03535	3.2
127.05138	5.6
128.03545	81.9
129.03922	2.1
131.04671	2.8
135.05638	5.4
137.07214	2.1
141.06700	7.0
143.04628	92.0
144.04971	1.9
145.06253	3.5
146.04564	8.1
153.06696	8.5
160.00786	17.9
166.09882	2.9
166.48981	1.6
167.04594	6.0
167.08165	3.2
170.11835	3.8
171.07695	2.1
177.03401	6.4
179.04611	17.6
181.06216	4.0
197.05670	3.1
198.11270	3.1
210.08858	18.3
216.12254	5.1
228.09998	1.8
247.79759	1.9
249.05588	2.2
254.07817	27.3
272.08865	50.7
273.09210	2.9
288.06567	13.8
304.06082	3.4
306.07666	100.0
307.07739	8.6
378.07968	8.3
378.17664	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	376.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27501	0.8
52.78753	0.7
53.14621	0.7
59.01381	100.0
60.01722	1.8
61.98825	1.2
65.26045	0.8
70.04959	3.0
75.55944	0.8
75.82454	0.8
79.95727	0.8
98.20197	1.7
147.62708	0.7
151.48180	0.7
219.43880	0.7
222.01285	0.7
224.63843	0.8
231.06583	0.7
243.54198	0.7
255.23277	0.8
268.53256	0.8
316.28482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
55.75481	0.5
57.01063	0.5
57.03442	2.1
58.00583	2.1
59.01380	41.9
60.71289	0.4
61.98831	0.8
63.94471	0.5
71.01382	22.9
71.05033	0.5
72.99316	3.1
73.02953	2.6
79.95748	0.8
82.54536	0.5
83.01387	2.4
84.96777	0.5
85.02946	7.5
85.15532	0.4
87.00867	1.8
89.02446	20.3
95.01366	1.4
98.20676	0.8
99.00832	0.8
101.00641	1.6
101.02447	15.6
112.93707	1.0
113.02444	10.3
119.03495	8.2
143.10736	0.9
147.74178	0.5
149.04489	0.8
155.10809	0.6
157.08630	1.0
165.92265	0.5
169.12329	0.6
171.10271	3.6
183.13873	1.5
195.10262	1.0
195.13882	11.2
195.15344	0.4
196.14226	1.2
209.95229	0.5
213.14952	4.4
214.15256	0.6
229.25014	0.5
234.08867	0.5
252.03426	0.5
313.23764	0.5
357.19373	0.8
357.26166	0.7
375.20239	100.0
375.27280	19.8
376.20471	13.6
376.27570	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10994	1.7
59.01094	2.8
59.01380	47.3
60.39373	1.8
61.98816	3.2
65.96814	1.5
71.51353	2.9
78.95913	1.8
79.81285	1.9
80.96532	1.6
88.73373	1.4
95.05026	2.4
99.92557	2.4
115.82510	1.5
121.10229	31.7
122.10589	2.5
125.09642	2.1
149.09732	3.0
163.93977	2.0
171.10274	70.7
172.10620	3.7
187.99652	1.7
189.92998	2.5
195.13388	1.9
207.09955	2.4
231.21147	4.4
275.20151	100.0
276.20468	12.9
278.11377	10.5
293.21234	78.1
294.21585	10.6
315.19357	45.5
316.19742	4.2
329.17377	3.1
359.18298	7.9
375.21527	29.7
376.21854	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	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01367	2.1
61.98816	1.0
62.76656	0.3
66.98727	0.3
67.89854	0.3
69.03481	0.4
70.15572	0.3
70.99653	0.6
71.01373	0.7
71.58536	0.3
73.02944	0.3
85.02979	0.5
87.00868	0.3
87.04509	0.9
93.64539	0.3
97.06586	0.8
101.02411	0.3
108.90118	0.3
109.06561	0.5
111.08170	0.5
113.09715	0.6
123.08138	1.2
135.04453	0.3
135.08142	0.3
138.06845	0.4
139.11279	1.1
139.12299	0.3
141.09172	0.4
141.12808	0.7
153.09207	1.1
157.12355	2.1
169.12337	1.5
170.70561	0.4
181.88637	0.3
185.11850	2.7
190.70863	0.3
215.12933	1.7
251.20042	0.4
291.19348	0.4
311.22394	0.8
327.21765	0.5
327.25375	0.3
329.23297	2.9
330.23663	0.4
339.25409	0.7
357.26373	3.5
358.26822	0.4
373.25949	3.0
374.26303	0.4
375.27499	100.0
376.27826	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	376.1765
Annotation	Stephasunoline
Peak:m/z	Relative Intensity
51.50111	0.3
58.31493	0.3
59.01380	1.6
61.98818	0.5
65.85088	0.3
68.99816	66.0
70.00139	1.3
71.10497	0.3
71.10828	0.7
73.80226	0.3
79.95750	0.5
96.99312	62.3
97.99631	1.8
116.38381	0.3
123.02753	0.9
141.28767	0.3
154.99913	1.1
170.72610	0.3
172.27753	0.3
189.93040	0.3
198.97150	1.4
230.15479	45.6
231.08963	1.9
231.15836	5.1
232.17047	3.9
259.08542	2.7
260.16559	0.5
288.16098	1.5
316.15515	17.7
317.15973	2.4
368.74121	0.3
376.17630	100.0
377.17969	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59504	0.7
70.84344	1.3
74.99082	2.8
80.96544	0.8
93.00161	0.8
116.19515	0.6
119.34772	0.7
155.28830	0.7
159.08459	9.4
160.08524	0.9
161.06422	3.4
192.98203	1.0
209.01236	1.9
261.04431	0.8
275.06049	0.8
277.07578	1.9
289.07504	2.2
291.09103	98.4
292.09201	17.9
297.90897	0.7
309.10187	1.2
357.13785	1.7
359.15341	100.0
360.15512	20.3
375.18542	7.0
376.18808	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	375.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.3
61.98832	4.0
64.73235	1.6
69.65038	4.7
69.65464	6.4
75.00871	5.6
75.92428	1.6
78.95914	1.8
97.93132	6.3
98.20564	3.4
98.90675	6.7
113.92596	2.1
114.93430	8.0
272.85229	2.2
277.21729	100.0
278.22156	14.5
331.12543	2.2
378.31094	1.9
380.67108	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31834	1.4
55.01866	3.9
57.03442	5.3
58.00580	5.1
59.01382	100.0
60.01729	1.7
61.98840	7.1
63.49150	1.2
66.85716	1.4
71.01383	65.8
71.60496	2.1
72.99310	4.0
73.02959	6.5
79.94009	1.4
79.95739	2.9
83.01389	6.5
85.02951	19.9
87.00875	3.9
89.02444	66.9
95.01388	4.5
99.00865	3.5
101.02445	48.8
109.02943	1.2
111.00913	1.3
113.02457	25.7
114.02842	1.4
114.05583	1.8
119.03506	35.4
123.04579	1.6
124.82648	1.3
125.02484	2.3
131.03465	4.8
143.03574	3.7
146.44136	1.4
149.04581	2.0
151.11252	2.0
157.12341	2.1
161.04514	5.1
165.09186	1.7
165.41965	1.3
177.09164	3.1
179.03574	1.5
179.05583	5.7
185.78412	1.3
186.39313	1.6
190.12337	2.9
192.34505	1.3
195.10165	1.7
196.44096	1.4
208.13408	2.9
213.11302	4.1
262.98126	1.9
268.15561	6.0
288.21912	1.4
297.11292	2.7
312.14563	8.6
331.17697	1.5
344.76306	1.3
357.15573	10.7
363.58463	1.4
375.16574	82.7
376.17566	7.1
376.23621	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	374.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.98230	1.1
61.98808	1.3
64.95233	3.3
66.94824	1.3
70.18351	2.7
110.94038	2.5
112.93621	1.6
141.65144	1.1
156.36537	1.2
160.30827	1.1
238.58644	1.1
255.23296	1.2
261.07663	4.1
262.08002	3.8
314.26959	6.1
374.24359	1.4
379.36688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05655	0.3
59.01380	73.4
60.01708	1.0
61.98836	2.4
72.99321	0.4
87.67482	0.4
90.51657	0.3
90.57127	0.4
90.97162	1.2
103.27238	0.4
114.98879	0.8
118.96638	0.9
121.14124	0.4
132.98238	2.0
142.68196	0.3
151.98703	0.4
156.99980	2.1
161.32750	0.4
171.97420	0.6
174.99248	26.1
175.99590	0.8
201.02567	4.4
217.00301	100.0
218.00635	4.9
232.97513	0.6
314.98843	1.3
374.99179	6.6
375.99615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.1
57.03447	3.7
58.00597	4.2
59.01380	100.0
61.98812	2.4
62.71339	1.6
69.03465	2.9
71.01382	58.8
71.05031	2.3
71.61518	1.5
72.75615	1.7
72.99292	6.8
73.02934	4.8
79.95721	2.2
83.01391	2.4
83.05000	2.5
85.02947	13.7
86.36626	1.8
87.00877	4.5
89.02446	58.9
92.43379	1.6
95.01386	4.4
95.05011	7.4
96.96012	2.0
97.06575	5.6
99.00889	3.0
101.00657	1.8
101.01854	2.8
101.02451	33.0
107.05025	8.6
112.93720	2.1
113.02451	21.1
115.03994	2.0
115.07626	7.2
116.53316	1.5
119.03499	22.8
121.02922	1.9
125.09680	2.3
131.03494	1.6
136.05315	2.8
139.11263	5.9
143.03506	2.0
149.09711	4.2
151.11284	50.8
152.11623	4.1
161.04552	3.0
164.08429	3.0
167.10750	2.2
169.12360	3.4
177.07756	1.5
177.09151	9.9
177.60378	1.7
177.73926	1.6
179.05556	4.9
181.12294	3.0
185.11850	3.3
193.12318	5.4
195.10252	96.3
196.10547	7.2
207.10248	1.8
211.13368	5.4
213.11314	17.3
225.11313	3.5
243.12312	10.0
320.90265	1.6
370.78763	1.8
375.02078	2.9
375.10953	1.8
375.16037	4.9
375.20309	2.8
375.27533	4.9
376.17542	2.8
376.23386	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	374.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13256	2.2
59.01373	5.5
61.98827	6.4
66.03481	3.4
69.78640	10.5
69.79056	4.7
78.95896	2.9
82.02980	12.3
88.04020	2.7
98.19875	4.5
110.02472	50.4
111.01975	17.9
122.02510	3.9
128.03600	2.9
130.08746	80.3
131.09032	2.6
147.98778	2.8
152.03468	6.5
153.02989	3.4
174.99217	4.0
200.05626	24.3
243.06204	100.0
244.06473	3.7
355.22525	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	374.197
Annotation	DHEA-7-CMO
Peak:m/z	Relative Intensity
50.53802	0.7
59.01374	1.7
61.98831	1.2
68.99823	8.4
70.52550	1.7
71.01378	1.1
73.01176	1.0
81.02202	1.9
83.00130	3.9
85.01688	0.8
94.06636	4.2
96.95993	1.3
96.99307	4.4
99.00879	7.0
108.04582	1.0
109.01694	25.6
112.85632	0.8
124.00394	2.1
137.01154	2.6
137.07521	0.7
140.03552	2.2
142.63698	0.7
173.03416	0.9
186.44884	0.8
200.05635	1.3
228.17528	1.3
230.19078	1.1
241.15900	1.0
242.15440	1.8
242.19188	2.6
249.72397	0.8
256.16949	0.9
258.18588	3.8
268.17224	1.3
270.18637	1.4
272.73004	0.7
286.18192	6.1
314.17612	22.9
315.17899	2.6
316.62808	0.8
374.19711	100.0
375.20023	16.0
392.16733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46082	1.8
54.83697	1.7
57.96582	1.7
58.00604	2.2
59.01379	100.0
63.26743	1.7
64.89850	1.5
71.31974	2.0
81.79173	1.5
101.44746	1.5
115.30421	1.7
225.22278	2.1
252.23257	2.7
255.23186	10.1
314.26990	35.1
315.27213	5.0
323.84406	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	374.022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23560	0.9
52.30203	0.7
61.98831	100.0
74.92086	0.9
79.93969	3.2
87.56057	0.7
94.96316	13.2
98.20620	2.3
110.96006	0.9
111.62736	0.8
153.01932	2.1
168.04227	0.9
168.06598	1.0
170.05254	0.8
241.11943	1.4
310.48868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87947	0.5
59.01379	0.9
61.98833	100.0
77.98557	0.5
79.93976	3.1
84.51215	0.5
87.96830	0.5
89.09968	0.6
94.96317	11.5
96.96046	1.3
111.62697	0.6
153.01982	1.4
154.02309	0.7
168.04321	0.5
171.50018	0.6
229.30711	0.7
232.62373	0.5
273.53848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12283	1.8
59.01382	100.0
61.98833	4.5
65.12514	1.9
65.23653	1.8
70.81585	3.8
70.81926	2.8
72.00872	1.8
111.78046	1.9
115.92086	3.0
121.02962	20.6
122.03292	7.5
135.01022	1.9
153.01889	4.9
166.87318	1.7
169.15483	1.9
174.20171	1.8
238.38918	1.6
253.21619	2.3
311.09851	1.9
312.25381	24.7
314.18832	1.9
336.97409	1.9
372.08047	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	373.169
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
59.01373	2.4
63.96243	17.0
70.81867	1.8
70.82197	1.3
72.87353	0.9
79.75510	0.9
79.95741	100.0
80.96519	27.2
83.28886	1.0
96.96015	7.2
119.98882	1.5
121.02957	1.7
121.10235	2.4
122.40630	0.9
123.08067	0.9
125.09692	1.0
129.03767	2.1
131.84923	0.8
137.09831	0.9
153.01988	1.7
162.89348	3.4
167.59944	0.9
171.10303	6.7
173.06357	2.7
185.11775	1.6
189.05920	11.4
201.11285	3.1
209.04541	1.2
275.20132	9.6
291.19656	2.6
293.21234	9.0
294.21448	1.0
309.20844	1.4
313.23721	3.7
325.23807	2.7
355.15948	1.5
373.16855	50.3
373.25897	15.2
374.17288	6.4
374.26263	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	374.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.2
61.98835	100.0
65.03402	0.8
65.82603	0.7
69.55012	1.6
69.55424	4.0
70.57142	0.7
71.01390	2.1
72.19025	0.7
75.06229	0.6
79.93983	2.0
82.64695	0.7
94.96323	7.3
96.00905	0.9
98.19807	0.7
99.00874	0.7
113.02477	0.9
115.00423	0.8
115.28676	0.6
128.03604	1.1
130.08759	2.7
149.06160	0.9
150.67804	0.7
153.01958	1.0
167.11742	0.7
175.02531	0.9
213.50835	0.7
241.12029	1.1
297.11392	0.9
338.13687	1.1
353.13940	0.8
375.17020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02662	1.3
55.55527	1.3
59.01384	7.9
61.98832	100.0
70.68849	1.7
70.69189	3.5
71.01384	6.2
74.02467	4.0
79.93985	1.6
89.02458	3.0
94.96309	8.5
101.02471	1.8
105.46778	1.2
106.06631	22.4
113.02427	2.6
119.03496	1.8
124.07690	15.4
125.08000	1.6
129.10330	1.7
133.01439	1.3
150.05620	4.8
164.07155	3.2
168.06657	43.1
182.08209	3.7
209.09299	1.7
210.07712	3.7
212.05658	3.5
242.18672	1.5
254.06592	2.3
343.19644	2.4
352.47974	1.6
373.20706	2.5
374.11026	8.4
374.21176	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	372.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20045	1.0
57.31128	1.0
59.01382	4.0
60.66682	1.0
61.98825	4.0
69.87347	0.9
70.05057	3.6
70.05402	1.8
71.01382	1.8
72.99292	1.1
73.01163	0.8
73.02973	1.1
74.02479	2.2
82.06625	3.3
84.04550	16.4
85.02946	1.8
85.24255	0.9
89.02456	1.6
98.19820	1.2
101.02405	1.7
102.05617	54.7
103.05931	2.1
112.07671	1.3
128.03549	100.0
129.03891	4.0
129.10347	15.8
130.08745	20.5
139.08771	5.2
140.95084	1.1
146.04601	24.4
153.01962	1.6
154.12418	2.7
154.55276	1.0
155.11906	1.5
166.05064	1.6
171.15031	15.3
178.49133	1.0
195.14937	5.7
197.16599	5.8
199.18137	6.2
209.04524	1.2
215.14003	3.7
223.10876	11.3
225.16074	23.8
226.16330	1.3
242.18806	7.0
243.17110	47.0
244.17371	3.0
284.23523	3.9
328.22455	13.2
329.22772	1.9
343.19864	2.2
372.21390	95.4
373.11151	1.7
373.21661	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	372.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47514	0.7
59.01376	1.6
61.98830	4.0
63.96249	0.7
69.89877	3.6
71.14678	0.6
79.95699	0.8
83.87313	0.7
89.02386	0.7
93.03452	11.7
94.02945	1.0
94.21629	0.7
95.05053	1.0
99.00906	1.0
105.03485	1.0
108.04601	1.7
109.02957	1.1
117.03466	1.4
119.05007	2.6
120.04546	2.2
121.02959	8.6
123.04509	2.4
125.32583	0.8
127.27286	0.7
133.02982	0.8
134.03705	1.6
135.04520	2.7
136.04033	3.6
140.01796	1.2
145.02945	3.8
146.02475	1.2
147.04509	0.9
148.04065	4.2
149.02415	3.0
149.04837	1.8
150.03238	7.0
151.03960	2.1
153.01897	1.1
155.67216	0.7
160.17892	0.7
161.02411	1.5
162.03221	1.8
162.05632	1.0
163.02916	1.3
163.04008	37.2
163.06305	1.6
164.03358	3.8
164.04669	2.4
165.05548	6.7
176.03444	0.9
177.01898	2.1
177.04222	0.9
177.05577	2.5
178.06357	45.2
179.06845	3.0
190.05060	0.8
191.02084	1.2
191.03619	1.4
192.03020	9.1
192.07857	2.2
193.03777	15.0
194.04099	1.1
205.03770	5.5
206.04538	9.1
207.05276	2.4
208.06161	21.6
209.06473	1.7
220.06161	9.6
222.07736	0.9
298.93094	0.9
299.04608	1.7
313.10672	1.4
314.10361	1.3
324.08749	0.8
342.09824	20.2
343.10266	2.4
356.11401	2.6
357.12161	46.2
358.12558	6.6
372.14505	100.0
373.14810	15.3
373.19461	0.8
373.25839	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	372.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
57.03436	2.6
58.00583	1.1
59.01383	37.8
60.01709	1.6
61.98829	6.0
65.94032	1.0
69.03458	1.3
71.01385	42.3
71.62083	1.2
72.01715	6.7
72.99300	2.5
73.02947	13.2
74.03287	1.3
79.95728	0.9
83.01394	6.3
84.01692	1.0
85.02954	16.8
86.03294	3.4
87.00880	3.5
89.02445	11.7
93.03439	6.4
95.01376	3.8
95.05049	1.1
97.02921	1.5
99.00873	3.9
100.01214	1.1
101.02444	27.6
102.02773	5.8
103.02884	1.0
105.03454	1.0
105.55000	0.8
107.05025	1.3
108.04526	1.2
110.91544	0.9
111.00890	1.7
113.02457	15.3
113.09693	1.3
114.02771	4.6
117.03464	1.4
119.03493	2.9
119.05008	1.5
120.03786	1.5
120.97868	1.0
121.02979	6.2
123.04491	1.4
124.01679	1.7
125.02351	1.1
128.48402	1.0
134.03743	1.8
135.04503	2.5
136.04021	1.9
143.03479	1.5
145.02954	2.7
148.04108	4.4
148.05182	1.5
149.02411	3.1
150.03264	7.0
151.03960	3.1
153.01907	2.0
159.02995	2.9
160.03300	1.5
161.02452	1.7
161.04555	14.0
162.03545	1.3
162.04796	5.6
163.04005	36.1
164.03511	4.0
164.04616	3.1
165.05586	6.2
165.09268	1.0
175.02519	3.1
176.03496	1.6
177.01971	1.6
177.04181	1.2
177.05585	3.2
178.06360	38.4
179.06816	2.8
181.08699	1.0
190.05109	0.9
191.02118	1.0
192.03032	9.5
192.07870	1.9
193.03789	14.4
193.08575	1.0
199.13354	2.1
202.05109	1.7
205.03700	6.4
206.04555	10.4
207.05215	2.2
208.06151	26.1
209.06451	1.9
209.15474	1.6
210.15749	3.4
211.09801	7.1
211.13448	0.9
220.06151	7.7
222.07608	0.9
223.43483	0.9
313.10657	1.8
342.09796	20.5
343.10172	2.0
356.11462	3.2
357.12167	39.0
358.12518	5.3
372.14465	100.0
372.21039	17.5
373.14767	15.1
373.18704	3.0
373.25845	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	371.2071
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.01876	9.2
57.03448	8.6
58.00588	3.0
59.01378	61.1
60.01703	0.7
60.26818	0.4
67.01896	0.7
68.99851	0.5
69.03455	1.2
71.01382	100.0
72.01715	1.5
72.99313	3.8
73.02945	34.4
75.00881	1.0
81.03448	0.9
83.01386	14.3
84.01715	0.8
84.02184	1.0
85.02950	47.4
86.00088	0.8
86.03275	1.1
87.00890	4.4
89.02443	28.2
95.01380	6.5
96.00912	1.1
97.02950	1.9
99.00884	13.5
99.04552	0.7
101.02441	83.0
102.02779	2.0
109.41576	0.4
111.00890	1.1
113.02447	39.7
114.02769	1.3
119.03501	9.5
123.08165	0.6
125.02454	1.9
129.01962	1.9
131.03508	1.5
137.09702	1.5
143.03473	4.7
149.04521	1.0
149.09729	0.6
159.02992	9.7
161.04553	45.9
161.89311	0.5
162.04898	1.7
165.12871	0.5
173.01009	0.5
179.05577	2.1
194.40871	0.6
199.26808	0.4
203.55676	0.5
205.03532	1.4
209.15451	9.5
210.15831	0.9
259.18695	0.5
339.70139	0.4
371.20633	36.9
371.24274	2.7
372.21082	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43239	0.6
52.44573	0.5
55.01880	8.3
56.41699	0.5
56.61897	0.5
57.03453	8.7
58.00595	2.1
58.33916	0.5
59.01382	65.3
68.99811	0.9
69.03443	0.9
70.54352	0.5
71.01385	100.0
72.01725	1.9
72.99306	4.9
73.02948	31.1
74.03286	0.7
75.00883	1.5
83.01384	15.9
85.02953	46.5
86.00104	1.2
86.03311	1.0
87.00883	6.0
89.02447	30.5
95.01398	8.1
97.02963	2.2
99.00886	13.3
101.02448	86.0
102.02766	2.6
111.00901	1.5
113.02455	47.0
114.02803	1.5
118.20421	0.6
119.03497	10.2
123.08120	0.7
125.02462	2.5
129.01959	1.7
131.03514	1.7
137.09714	1.4
143.03520	5.0
144.03821	0.7
149.04509	0.7
159.03004	9.7
161.04567	47.6
162.04906	1.4
165.12918	0.6
179.05580	1.1
190.06458	0.6
205.03610	1.6
209.08218	0.8
209.15488	9.3
210.15851	0.7
229.49109	0.7
371.20734	40.8
372.20972	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	371.219
Annotation	TMC-96
Peak:m/z	Relative Intensity
50.15267	0.4
57.45221	0.4
59.01380	3.8
61.98816	0.6
65.35491	0.4
65.87104	0.4
69.03454	0.4
69.34049	0.8
69.34462	3.1
71.01389	2.1
73.02950	0.8
78.00854	0.4
79.95767	0.5
81.03462	11.7
82.06625	0.6
83.05028	50.6
84.05359	1.4
85.02958	0.5
87.05653	1.6
98.20662	1.0
99.92617	0.5
100.07688	12.5
101.02446	0.9
101.07207	0.5
101.07983	0.5
103.77936	0.4
109.02940	0.4
113.02442	0.6
126.05572	1.0
127.04089	0.6
127.05112	0.9
128.03523	1.7
130.08743	8.3
134.03683	0.4
137.02443	0.6
138.09218	0.5
143.11882	0.6
145.05196	0.6
149.06050	1.1
150.06877	2.4
163.07755	0.4
164.03644	0.4
165.09221	1.9
167.03514	7.2
168.03879	0.8
173.11731	0.5
180.10281	1.5
182.05885	1.0
182.15512	0.9
197.12996	1.4
199.18176	10.5
200.18561	0.7
207.15054	0.4
209.08188	7.0
209.10039	0.8
210.08415	0.5
223.10880	1.0
225.16081	10.8
226.16434	0.9
241.11859	1.0
243.17125	29.7
244.17441	2.2
269.11575	0.3
269.12399	0.3
269.15079	2.8
290.62909	0.4
299.65402	0.5
309.21851	1.3
310.21381	0.5
327.08969	0.8
327.23187	0.6
349.03918	0.4
353.20813	8.1
353.55859	0.5
354.20676	2.9
371.21866	100.0
372.16656	0.6
372.22028	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03435	1.4
59.01375	4.3
61.98818	4.7
62.62278	1.8
64.95249	2.6
68.99815	3.1
69.03472	1.1
69.31681	1.0
70.29417	1.2
71.01398	7.0
71.05518	2.2
72.99294	2.2
73.02943	6.1
74.02472	2.4
78.95884	1.7
85.02965	8.0
87.00874	47.7
95.01408	1.7
97.02957	2.2
101.02428	4.2
108.02177	3.1
113.02460	3.4
120.99690	1.3
123.00876	2.7
123.04549	3.6
131.03458	1.6
134.03758	11.2
135.04506	5.4
136.01656	9.6
136.05154	1.5
143.04628	2.2
146.03725	14.8
147.04439	2.7
148.05305	32.6
149.06085	29.7
150.03215	4.1
150.06438	2.4
151.04001	14.9
159.04518	1.5
161.02432	7.2
161.06044	8.5
162.03197	4.7
163.03993	5.9
163.07605	4.5
164.04761	8.4
165.05527	4.4
172.05325	3.0
174.03198	1.9
175.03998	15.7
176.04803	12.8
177.03453	2.0
177.05498	4.7
178.06265	4.2
179.07109	9.3
186.03362	1.5
188.04709	7.0
190.02644	1.6
191.03459	1.9
191.07132	9.0
192.04196	3.3
203.03557	2.3
204.04236	6.3
205.04932	2.7
206.05855	2.5
207.06584	5.0
208.03755	1.3
209.03018	4.6
215.03407	1.8
216.04240	2.1
217.05013	3.9
219.06581	9.1
221.08217	2.6
231.06520	2.1
232.03804	10.4
233.04117	1.7
235.06102	59.4
236.06433	5.2
247.06056	26.9
248.06473	2.0
249.07718	3.0
265.07159	76.3
266.07605	8.0
295.08191	2.8
325.09271	20.9
326.94589	1.5
327.33322	1.5
339.37958	1.5
353.08737	8.4
354.08780	1.7
371.09808	100.0
372.10037	11.8
372.18591	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	370.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.9
61.98832	100.0
69.65323	2.5
69.65731	1.9
71.01392	2.5
80.96528	0.7
85.02966	1.0
87.00854	0.8
89.02458	2.1
98.20631	0.7
101.02464	2.2
101.69009	0.6
102.05620	0.8
105.00215	0.6
113.02453	1.0
114.05607	1.4
119.03539	1.8
124.64313	0.7
127.05184	1.3
128.03546	1.1
129.10376	1.1
130.08752	6.5
143.11911	2.4
145.08704	5.2
146.04601	1.2
147.04604	0.8
173.00978	1.3
197.28342	0.7
240.13586	1.7
307.13965	15.7
308.14343	1.0
370.19812	1.8
371.18793	1.3
371.23099	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	371.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01372	3.6
61.98808	1.4
63.94464	1.5
64.95248	100.0
70.59175	0.8
71.01371	1.4
71.51529	1.3
75.02731	31.6
79.93941	2.5
81.93545	1.2
82.61357	0.8
87.04530	1.3
95.91669	4.0
104.98386	27.5
138.97162	48.5
152.40717	0.9
158.44312	0.9
371.03168	1.3
371.24271	2.6
393.79922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12626	1.0
54.64833	1.0
57.28583	0.9
59.01373	2.7
62.38973	1.0
66.03490	1.8
69.97591	4.8
71.01373	3.4
72.00909	17.2
73.01238	1.0
73.02947	7.1
89.02455	1.2
92.05035	1.8
94.89422	1.1
98.20576	1.4
101.02441	3.9
109.02947	1.1
116.05053	7.0
118.06590	1.6
119.03394	1.1
128.05074	1.6
130.06612	1.7
131.03763	7.3
134.04762	1.4
142.06618	25.5
143.06972	1.2
144.04556	19.0
145.05324	3.1
146.06151	9.9
157.05325	2.2
157.07675	1.9
158.06110	41.2
159.06424	2.6
160.03987	1.6
161.94698	1.3
162.05583	3.6
167.06122	6.6
168.04538	5.3
169.05359	2.9
169.07712	100.0
170.06120	17.6
170.08057	6.4
171.09218	1.3
172.04059	2.9
172.07718	2.9
181.07707	16.9
182.06100	1.1
184.04031	3.7
185.04820	10.2
186.05508	2.1
188.07115	10.0
189.04274	1.4
190.05057	5.8
199.08759	75.9
200.07335	2.1
200.09077	5.7
202.05104	17.4
203.05560	1.2
207.07735	1.1
211.08847	5.2
213.06618	2.1
214.05080	1.4
217.09804	3.0
218.08113	1.4
231.07738	3.6
232.06084	1.2
243.07712	3.9
249.08847	5.9
261.08740	4.6
279.09866	5.1
296.11453	1.3
308.11478	1.7
352.10236	4.3
369.12900	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	370.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52060	2.3
58.02967	7.7
58.37926	1.9
59.01389	13.8
61.98833	14.5
63.96233	2.3
64.93116	2.4
69.51631	9.4
69.52033	4.8
69.63693	1.9
71.01383	4.1
74.00702	9.2
74.02477	29.3
78.95876	3.7
80.96510	2.1
85.04078	4.3
86.02452	3.7
87.00894	3.0
88.04046	2.4
89.02434	2.3
96.00934	2.3
97.04114	2.7
99.05673	13.9
101.02419	2.3
101.43193	1.9
102.00158	3.6
114.03846	5.7
120.01263	50.1
120.99655	13.4
125.07213	2.5
131.04593	4.2
137.07208	6.4
143.04634	43.6
149.06035	3.2
165.05547	3.3
169.06245	10.6
175.01849	16.9
176.07077	2.8
177.03400	100.0
177.07922	4.9
178.03674	4.3
181.06177	17.6
192.10269	5.3
197.76180	2.2
209.04553	3.5
215.04976	10.5
235.06046	3.3
249.03662	4.0
252.05774	2.3
253.49278	2.0
265.07034	2.2
370.05533	7.7
371.09921	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	369.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61716	3.3
55.01864	4.2
57.03445	3.5
59.01379	38.1
61.98837	15.6
63.07431	3.1
69.39806	23.8
70.99611	5.9
71.01387	10.1
72.99307	8.4
73.02950	6.4
75.00871	6.1
79.93964	27.3
81.03463	5.5
83.01393	5.0
85.02943	26.6
87.00837	7.6
89.02457	7.2
94.96326	30.0
96.95989	3.8
99.00864	7.2
101.02451	7.3
107.20741	3.0
109.02956	5.2
109.08675	3.5
111.00900	10.9
112.98801	20.3
113.00697	3.7
113.02419	6.3
115.00421	5.8
117.51382	3.3
117.52421	3.9
120.56876	3.7
120.99657	100.0
124.04032	4.0
124.22162	3.1
125.02425	10.9
129.00154	9.9
129.01938	11.6
133.62991	3.4
135.02966	6.0
136.97386	4.6
142.99835	12.5
145.06499	3.5
168.99615	14.5
173.00862	25.7
174.01718	19.8
175.02484	3.6
183.68831	3.4
201.04088	5.4
205.03539	15.9
223.04620	17.4
233.01289	9.6
247.02684	8.0
272.09390	3.1
369.08221	5.4
369.12674	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	368.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98286	0.6
59.01370	1.0
63.96202	0.6
70.99621	0.8
71.01367	0.7
71.59403	0.8
71.59833	0.9
75.00902	0.8
78.95874	0.8
87.00874	3.7
89.00693	2.0
90.96913	0.6
91.07516	0.6
106.92899	0.6
107.01736	0.7
123.01184	0.9
128.03561	1.5
130.08742	100.0
131.09071	3.6
134.04736	3.5
142.99883	1.1
169.07634	0.6
176.03848	0.7
177.02295	1.6
193.00726	0.6
199.08824	0.8
304.06027	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	369.0139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55411	1.2
57.03445	2.9
57.03983	1.1
59.01381	2.3
61.98828	1.8
63.94457	15.2
63.96231	2.2
64.95252	2.9
68.58270	1.1
71.00989	2.0
71.01386	38.8
71.61461	2.3
73.01173	100.0
73.02941	1.7
74.01504	2.1
79.93958	10.8
79.95731	7.6
80.96498	2.4
85.02950	16.9
87.00894	1.4
87.04517	28.1
102.96824	7.8
104.98376	9.2
110.99133	1.2
111.92953	4.7
112.98829	2.7
115.04005	1.9
129.00154	1.3
129.32037	1.2
136.95584	23.6
142.67044	1.1
143.90179	3.0
159.06638	7.7
173.00862	4.1
237.60847	1.1
245.01125	3.1
255.19658	1.5
258.95984	3.3
275.31458	1.1
277.06503	1.1
279.84189	1.2
296.00241	5.0
369.22864	3.4
369.52072	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	369.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82300	0.7
57.03444	2.7
59.01369	2.1
59.47298	0.6
60.32622	0.7
63.94461	6.2
64.95235	2.4
71.01382	33.1
71.10758	1.2
72.01723	1.0
73.01173	100.0
73.02943	3.2
74.01500	1.6
85.02951	15.9
86.03292	0.9
87.04515	26.6
96.95999	1.2
99.04533	2.3
102.96825	8.6
104.98380	8.4
109.06587	0.8
115.04025	1.0
115.82980	0.6
127.00389	1.1
136.95590	25.3
138.06917	0.7
141.05566	1.3
159.06613	9.1
176.65459	0.7
184.99097	1.4
203.00220	1.6
214.71637	0.8
249.18541	1.0
257.94037	0.8
263.02316	1.9
296.00302	0.7
302.85535	0.6
369.22794	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	369.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
60.43347	0.2
61.98796	0.3
63.94464	5.0
63.96239	0.4
64.95253	1.4
71.01373	0.3
71.60554	0.3
73.01173	100.0
74.01138	0.4
74.01507	1.8
79.95742	0.7
87.00911	0.2
87.04510	0.5
94.13319	0.2
95.91686	0.3
100.76363	0.2
102.96825	9.6
106.37851	0.2
111.92937	0.5
114.76141	0.2
115.04025	0.4
121.02869	0.3
129.01942	0.3
131.01761	0.5
136.95596	33.6
137.95834	0.9
154.92499	0.2
174.01767	0.3
207.06645	0.3
214.43932	0.3
219.03372	0.3
231.05055	0.5
249.07689	0.8
296.00366	0.8
346.85498	0.2
359.27609	0.3
369.01462	0.6
369.22916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2642
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
51.84737	0.4
52.33732	0.4
59.01375	0.5
71.53194	0.8
87.62052	0.4
118.58644	0.4
119.92022	0.4
133.06607	2.1
149.09718	92.9
150.10066	5.6
189.12743	0.8
189.29013	0.5
192.75517	0.5
205.15967	93.5
206.16312	8.0
321.72629	0.4
339.28583	0.4
365.08716	0.5
367.26404	100.0
368.26740	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	366.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
56.96127	0.5
57.03435	0.8
58.00594	0.7
59.01382	24.8
59.53289	0.5
60.01713	1.0
61.98817	0.7
69.75555	2.3
71.01389	12.0
72.99320	2.6
73.02961	0.9
73.99694	0.5
75.00871	3.6
76.09149	0.4
81.05032	0.5
83.01412	0.9
85.02950	2.9
87.00880	1.5
89.02448	10.1
90.02769	0.6
91.36867	0.5
95.01389	0.9
99.00880	1.1
101.02450	6.6
102.02755	0.7
104.07095	0.5
111.00890	0.5
113.02450	4.2
116.05061	8.4
119.03487	3.1
128.05052	1.8
130.06613	2.0
131.41235	0.5
142.06624	100.0
143.06982	5.9
144.04558	0.9
157.12334	1.9
158.06100	11.7
158.12683	1.9
159.06410	0.6
186.05602	47.1
187.05927	3.0
203.12903	4.6
204.06651	29.9
204.13200	7.1
205.06961	2.2
237.06192	1.2
246.07767	3.4
254.01421	0.6
366.11948	73.3
366.18524	22.2
367.12192	8.4
367.18707	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	366.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26794	1.4
57.03440	3.2
59.01377	15.5
61.98822	3.6
68.99822	1.3
70.88846	1.0
71.01382	14.0
71.08734	2.7
71.99126	3.8
72.00896	1.3
72.99304	2.7
73.02975	2.1
73.04071	3.3
73.41145	1.0
74.00700	30.4
74.02473	2.1
79.95742	1.2
82.02986	1.4
83.01396	3.6
85.02959	4.6
86.02481	1.6
87.00870	1.8
87.05707	1.3
88.04050	2.0
89.02448	5.0
96.00925	8.8
98.02467	2.2
98.32664	1.0
99.00881	19.0
100.01238	1.2
101.02448	3.7
104.03534	4.7
111.00889	6.4
112.98817	57.9
113.02452	2.5
113.03568	18.9
113.99169	1.5
115.00368	5.5
117.99699	7.6
119.03500	2.4
124.98822	1.7
129.01932	2.2
132.03012	1.6
142.30150	1.1
142.99864	52.1
145.01425	3.8
145.02974	1.5
146.06152	1.6
148.02817	2.0
160.07677	1.8
172.07671	1.2
173.00912	100.0
173.07169	2.0
174.01691	62.4
175.02127	2.4
188.40256	1.0
200.07117	2.1
220.10892	1.3
239.08289	2.1
247.02753	6.8
250.11920	1.6
251.10382	2.9
256.11005	1.5
278.99945	3.4
287.10236	2.4
301.08316	1.7
318.10950	1.4
331.09372	11.5
339.13745	1.0
348.11914	6.3
366.03305	8.0
366.13217	3.6
367.19894	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	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.89296	0.7
53.58080	0.5
59.01376	0.7
65.59327	0.5
69.65906	0.5
71.61481	1.2
85.06596	3.0
94.94022	0.6
118.06619	0.6
137.84145	0.6
162.36171	0.6
199.13391	1.3
261.18582	0.7
277.21725	2.1
279.19675	18.4
280.20007	0.9
308.55280	0.8
347.25983	6.2
348.26205	1.6
365.26959	100.0
366.27304	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	366.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90612	1.4
57.03448	3.9
59.01377	10.5
61.98832	5.3
66.41904	1.1
70.36620	2.6
70.37016	2.3
71.01380	9.3
71.99133	3.9
72.00910	2.3
72.99328	1.5
73.02956	1.5
74.00699	33.8
83.01400	4.8
85.02963	4.1
86.31744	1.2
87.00877	2.8
88.04044	2.1
89.02449	1.8
96.00919	2.4
96.04549	1.4
96.97006	1.6
99.00890	18.6
101.02446	2.5
103.21833	1.1
111.00869	6.6
112.98811	64.0
113.99129	1.4
115.00363	2.9
116.05080	1.5
117.99686	7.7
119.05022	3.1
129.00175	1.1
129.01964	2.5
129.89435	1.1
142.99861	43.0
143.90543	1.4
145.01431	4.7
147.04533	4.3
160.04073	7.0
164.07159	10.6
173.00912	94.6
174.01692	100.0
175.02065	4.5
187.10844	1.3
233.09389	1.4
247.02832	4.5
278.99969	11.8
284.85651	1.3
331.09467	8.0
348.12051	2.1
366.03229	5.5
366.13943	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93046	0.5
55.01883	1.3
57.03445	1.3
58.00591	1.1
59.01380	100.0
60.01707	1.6
69.03463	1.1
69.26347	3.1
69.26750	1.4
71.01383	22.3
72.01749	0.6
72.99303	0.7
73.02947	7.8
75.81013	0.5
79.95731	1.2
80.96522	0.5
83.01383	4.2
85.02950	8.3
87.00883	1.7
89.02446	12.1
93.56991	0.5
95.01410	1.9
97.02953	1.0
98.20559	1.0
99.00888	2.7
100.99955	0.5
101.02442	18.8
111.00914	0.7
112.78781	0.5
113.02449	9.1
119.03497	3.9
125.02481	0.8
125.09724	1.8
129.09222	4.2
129.25079	0.5
130.08752	1.0
134.61240	0.5
141.09271	1.6
143.03528	2.1
143.10838	0.9
154.88098	0.5
159.02969	1.2
161.04562	9.1
161.11879	3.5
175.02602	0.6
179.05643	2.1
203.02048	1.8
203.12923	1.9
227.12895	1.2
259.86096	0.5
305.16101	2.8
323.17093	17.3
323.20880	1.0
324.17429	1.4
365.18454	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14459	0.6
55.01870	0.9
57.03442	1.0
58.00588	1.5
59.01382	28.7
60.04779	0.5
70.74665	1.3
70.75001	0.5
71.01382	14.3
72.99284	1.2
73.02949	0.7
79.95731	3.3
80.04472	0.6
80.96482	0.6
81.72769	0.5
81.95303	0.7
83.01362	1.6
85.02940	3.4
87.00890	1.2
89.02446	14.5
95.01366	0.8
101.02447	11.2
112.93764	0.7
113.02454	6.5
119.03497	5.3
127.11324	3.6
143.04628	1.2
145.89726	1.5
155.10817	1.9
157.12341	16.6
158.12651	0.8
169.12335	0.6
171.13884	0.9
177.03433	1.5
179.05553	0.9
185.11798	1.5
187.13301	1.4
199.13383	2.4
203.12871	46.4
204.13222	3.0
245.13942	1.4
341.98691	0.5
364.97806	2.0
365.18143	100.0
365.98148	0.6
366.18564	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82916	0.4
54.89282	0.3
55.01862	0.6
56.18760	0.4
57.03448	1.4
58.00588	1.2
59.01384	31.6
60.01714	0.5
63.54537	0.4
71.01385	16.5
72.99306	1.3
73.02940	1.7
75.00875	1.0
75.27932	0.4
83.01378	1.4
85.02958	4.1
87.00880	1.8
89.02446	14.9
93.03342	0.4
95.01397	1.4
99.00893	0.8
101.02449	11.4
106.95605	0.5
113.02460	6.8
113.09722	1.4
116.05051	1.6
119.03518	5.7
124.16139	0.5
127.11290	1.7
139.11285	0.7
141.09209	0.5
142.06625	22.9
155.10756	2.1
157.12343	16.4
158.06104	2.2
158.12729	0.5
161.04602	0.9
171.13896	0.8
179.05609	0.8
185.11821	2.3
186.05605	10.5
187.13368	1.6
199.13420	1.7
203.12878	45.6
204.06641	6.0
204.13245	2.6
245.13962	1.5
246.07603	0.5
321.13657	0.4
365.18149	100.0
366.11914	17.1
366.18515	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	364.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51316	0.8
59.01369	1.9
59.46510	0.7
61.98821	3.1
69.57020	5.1
70.02991	1.4
71.05031	1.2
78.95905	51.9
82.28497	0.6
86.02480	1.4
87.00871	1.0
88.04014	0.7
96.96964	100.0
97.10116	0.7
98.02483	2.2
99.04539	0.8
126.69112	0.7
130.03310	0.9
134.04720	1.2
140.34795	0.6
141.99265	0.7
143.89339	0.7
146.08243	7.8
155.11861	0.7
212.13995	1.0
217.11913	1.4
241.56143	0.6
277.12189	3.4
278.12750	1.0
305.18423	0.7
364.15451	8.1
365.09042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1879
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
58.77267	0.7
59.01392	7.8
61.35276	0.7
65.88995	0.7
69.03443	0.8
71.01367	2.5
71.31951	0.7
71.32284	1.6
72.00906	4.7
72.65383	0.6
73.02945	1.0
73.04073	12.6
79.95737	2.7
82.06612	1.3
83.01395	0.8
83.02499	1.1
85.02957	1.2
87.00874	1.0
89.02430	1.0
89.09553	0.7
98.59066	0.7
101.02454	1.7
103.05121	1.1
118.06597	1.4
129.10332	17.7
130.08730	5.4
130.10593	0.9
139.08777	1.4
140.07170	5.8
141.10451	1.6
147.04524	18.7
148.04855	0.8
161.04501	0.8
164.07166	57.4
165.07516	3.9
168.11406	6.6
169.09778	3.7
186.12473	53.3
187.12807	2.4
190.51891	0.8
199.10890	8.0
203.12895	1.0
203.51450	0.9
216.13896	2.4
233.09302	1.2
233.16559	10.3
234.16975	1.2
277.15506	1.0
290.18744	8.8
291.19064	1.0
334.17691	11.8
335.18054	1.1
346.17636	1.7
364.18774	100.0
365.19080	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	364.9634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61580	1.0
53.83381	1.0
59.01376	5.7
61.98830	100.0
63.22719	1.5
63.99250	1.5
71.60149	1.3
78.50736	1.1
78.95925	2.1
80.91696	2.6
86.53521	1.1
96.96039	2.0
111.01971	1.5
113.21496	1.2
122.02487	1.4
131.94562	1.0
136.94002	6.5
180.94142	6.6
188.42786	1.3
192.10289	1.2
194.92824	1.5
197.40892	1.0
203.02386	1.3
206.97572	5.5
219.97739	2.4
220.99686	2.9
222.95195	79.0
223.97038	1.4
255.86050	3.5
256.35992	8.3
256.85873	11.1
257.35916	4.5
257.85837	3.4
280.87888	1.7
284.83984	1.7
292.84308	2.6
293.34460	7.1
293.84332	16.2
294.34409	4.7
294.84201	4.1
294.93024	1.7
296.33987	2.0
296.83942	3.3
302.84952	1.2
304.91324	3.3
322.89182	2.2
324.81470	1.9
324.87827	1.3
332.82239	1.5
333.32449	6.7
333.82132	18.9
334.32169	4.2
334.81973	4.5
342.82736	3.8
344.82285	1.2
364.29617	16.2
364.79440	49.9
364.96634	1.9
365.29483	16.5
365.79327	13.7
373.79956	4.5
374.29919	1.8
383.31012	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
63.94434	3.4
63.96240	6.9
64.95245	2.5
70.99599	5.7
71.09872	3.5
73.01157	5.6
76.97018	3.4
78.75108	2.1
79.93958	4.7
79.95739	7.1
89.00671	16.9
94.96295	8.2
96.99957	2.1
104.98389	27.3
125.03064	2.2
133.41785	2.0
137.01038	3.7
137.03064	9.3
152.05394	100.0
153.05692	6.4
164.75064	2.0
168.72917	1.6
184.02582	20.9
276.03653	2.4
285.54272	1.9
335.17963	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	364.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.2
60.97540	1.1
63.96241	100.0
64.52773	0.6
64.97037	0.9
65.29485	0.7
67.53339	0.6
69.35452	0.6
70.99606	0.8
71.01403	1.6
76.97019	3.1
79.95742	6.9
80.96529	1.4
85.02969	1.2
86.99068	1.6
97.01195	0.7
98.19903	2.8
101.00672	1.0
101.02455	1.0
105.00168	15.1
111.92937	1.4
115.92059	0.7
123.68134	0.6
124.02286	0.9
125.03099	0.8
132.65961	0.7
132.97937	0.9
137.03070	4.8
148.04030	1.4
150.03830	0.8
151.04634	0.9
152.05403	34.8
153.02577	2.5
153.05727	1.9
165.07349	0.7
180.61624	0.6
192.08539	18.1
192.10205	1.1
193.08806	1.4
256.04715	5.2
315.86502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05715	0.3
59.01378	8.2
60.01715	1.0
61.03216	0.3
61.98830	100.0
62.29900	0.3
71.14976	0.6
120.56887	0.3
131.97545	0.3
133.75319	0.3
159.97447	0.4
161.99055	0.3
174.99174	0.7
175.99680	0.4
177.96654	0.7
178.98540	0.7
185.81462	0.3
197.87521	0.3
201.02599	1.0
203.02304	0.6
204.00003	4.0
204.02766	0.5
205.00119	0.5
206.97426	0.6
217.00264	2.0
217.98347	0.5
218.00586	2.9
219.00533	0.7
219.97748	53.1
220.95941	0.5
220.99716	4.0
238.56384	0.3
319.97787	0.4
361.99124	1.3
363.00610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48993	1.1
54.20359	1.0
55.01888	1.5
57.03444	4.0
58.00592	2.4
59.01380	40.9
69.00007	1.2
69.54355	5.1
69.54771	2.7
71.01385	22.4
72.99291	4.3
81.47128	1.0
83.01373	1.7
85.02948	4.1
89.02445	23.1
93.07098	2.9
95.01382	2.2
101.02449	13.6
113.02462	7.7
115.46184	1.1
119.03496	9.8
143.03499	1.6
152.96873	1.4
161.04593	1.3
179.05580	2.0
183.10268	55.7
184.10544	4.4
201.11316	14.1
363.16592	100.0
364.16913	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
58.00605	1.4
59.01091	2.1
59.01383	37.7
69.75888	6.0
69.76240	1.3
71.01389	21.2
72.85324	1.0
72.99306	3.6
73.02953	0.9
74.46765	0.9
79.95748	3.9
81.07101	1.3
83.01394	1.2
85.02975	2.6
87.00855	1.3
89.02448	16.7
95.01371	1.7
98.20611	1.2
101.02453	13.4
105.96771	0.9
107.05027	1.3
107.54688	1.1
112.93712	1.4
113.02456	7.5
119.03537	9.5
123.00873	1.0
124.35552	1.1
139.11253	1.3
140.87907	0.9
146.09875	0.9
155.10837	1.1
172.11009	1.2
179.05664	1.1
180.05429	1.1
183.10275	51.6
184.10617	3.7
184.94049	1.1
201.11351	15.1
207.14751	1.1
272.93967	2.7
363.16617	100.0
364.16910	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	361.1657
Annotation	gibberellin A25
Peak:m/z	Relative Intensity
57.03456	4.6
59.01373	2.8
63.78214	0.9
65.00332	1.5
69.33953	3.1
69.34377	5.2
73.01176	4.9
79.05520	1.4
81.03466	3.9
83.01396	7.4
83.05030	1.1
98.19836	1.7
117.96192	1.0
121.06600	1.4
121.64748	1.1
123.04514	3.1
125.02449	8.6
133.06577	1.9
135.04568	1.1
167.14441	10.6
168.14726	1.3
171.10367	2.5
189.16534	1.9
191.14439	15.6
207.17506	11.6
208.17920	1.2
215.14345	2.1
225.18680	1.5
231.17534	29.6
232.17868	3.6
233.15410	10.9
234.15796	1.9
245.19124	3.1
247.63429	1.1
249.18683	4.6
251.16423	1.1
273.18567	18.3
274.18930	2.4
275.16528	13.9
276.16895	1.7
277.14410	3.0
293.17542	7.3
317.17551	39.4
318.17926	5.9
318.72260	0.9
319.15491	5.0
353.69119	1.0
361.16562	100.0
362.16925	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03445	2.7
58.00598	1.5
59.01380	21.6
61.98835	3.2
69.42809	4.6
71.01379	18.2
72.89877	0.6
72.97506	1.3
72.99300	1.6
73.02941	5.2
79.95717	0.7
83.01394	4.6
85.02959	8.1
86.00069	1.3
87.00879	1.9
89.02462	5.8
89.58862	0.6
93.03512	1.1
95.01360	0.8
97.02955	1.2
98.20105	2.7
99.00873	2.4
101.02444	15.6
109.02948	1.5
111.08133	1.1
113.02444	6.0
115.00444	0.8
119.03506	2.1
121.02957	5.9
122.03718	2.6
123.68129	0.6
129.03502	0.8
131.03496	0.7
137.02420	0.8
147.04495	2.9
148.05255	0.7
154.02705	1.0
155.10771	1.1
159.02866	1.2
161.04526	1.9
161.06032	1.5
165.05563	8.2
171.10188	0.6
174.01653	0.8
175.02496	1.3
179.07118	2.4
181.12341	3.5
190.11357	0.6
199.13383	6.6
200.13718	0.7
230.47357	0.6
315.12393	0.9
343.17554	1.1
346.14047	2.8
361.18869	100.0
362.19260	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	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.4
68.66205	0.4
70.29391	1.0
70.29784	1.0
96.37663	0.5
164.27670	0.5
203.35526	0.4
261.22363	0.7
279.23285	100.0
280.23648	12.2
305.07632	0.4
361.15356	6.0
361.23587	15.6
362.15125	1.2
362.23920	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	361.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78488	7.8
58.08546	8.8
58.66188	7.7
59.01376	100.0
63.90443	9.3
66.02357	7.8
71.50623	21.6
76.27570	7.6
139.21158	8.6
154.20709	8.8
233.37346	9.5
349.32556	9.4
361.20114	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	361.1505
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
50.03033	1.2
53.48697	1.2
53.69545	1.1
57.03454	2.7
58.00588	2.3
59.01095	2.6
59.01381	39.5
61.34873	1.1
61.98823	1.7
67.37371	1.2
69.03484	1.2
70.17364	4.1
71.01383	19.5
72.99310	4.8
73.02949	1.5
76.17641	1.3
79.95717	4.4
80.96504	1.4
83.01400	2.1
85.02947	4.2
87.00897	1.8
89.02458	19.5
93.07105	7.6
95.01412	2.1
98.20541	1.4
101.02455	15.6
107.08681	3.1
109.06586	1.3
110.95774	6.4
113.02464	8.0
115.92128	1.4
119.03512	5.9
119.08679	17.1
120.08986	1.3
135.08162	2.5
138.01968	5.6
139.02304	2.9
142.99910	1.6
144.00690	6.6
144.90981	2.5
151.02225	3.0
158.04747	1.3
163.07666	4.9
172.18089	1.2
174.03333	1.5
175.02435	1.5
178.06410	2.0
181.08716	18.5
182.78282	1.4
188.04794	3.9
199.07954	2.2
199.09772	30.0
200.10068	1.9
221.08173	10.7
255.11668	1.5
265.07138	5.8
267.64655	1.3
275.13266	2.5
279.17615	1.3
343.09827	2.7
360.97253	4.1
361.15021	100.0
362.15366	11.0
381.96402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48649	0.7
52.98110	0.7
59.01380	21.8
65.35809	0.7
71.38269	1.1
77.81480	0.8
102.35554	0.8
109.26913	0.8
183.72551	0.8
244.08009	0.8
277.21719	100.0
278.22040	10.4
359.17630	1.0
359.22052	18.6
360.22324	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	61.0
61.98828	35.5
69.94311	3.2
70.77944	3.3
71.01388	29.0
71.60030	5.4
71.60395	5.8
73.04056	3.3
74.02478	5.6
78.95905	16.8
79.95739	24.3
80.96504	5.2
81.95303	7.2
82.96120	4.9
83.01382	6.4
85.02953	5.7
87.00863	7.7
89.02456	6.9
94.86311	3.6
95.01391	3.8
96.96957	8.9
99.00859	6.5
101.02426	10.4
107.73357	3.8
109.84912	3.3
111.00814	3.9
112.93723	5.2
113.02434	9.9
113.03570	5.4
115.00365	22.1
123.00883	100.0
124.01641	12.9
128.03493	3.6
129.03899	4.3
134.04749	6.0
135.04530	7.0
137.02492	4.4
138.03229	86.5
139.04050	27.6
146.90518	11.5
152.96851	3.4
154.96341	3.8
156.66362	3.4
161.04572	32.0
174.01706	29.2
175.02492	26.2
180.06606	4.6
181.05009	8.9
184.94008	7.9
199.39651	3.4
200.14008	3.8
236.57729	3.5
246.12657	3.9
301.09265	38.9
330.70963	4.0
343.12396	5.0
360.95444	29.5
361.01926	6.0
361.13113	3.8
361.17538	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01714	1.2
66.74471	1.0
70.37045	2.2
70.37414	2.1
71.01379	5.7
73.02934	2.0
73.04049	1.4
75.61298	1.0
79.95737	15.3
80.96522	9.8
85.02950	4.3
87.00896	1.2
87.05634	2.0
88.04063	1.5
95.01385	3.5
96.96018	1.4
98.19981	1.3
99.00900	1.3
101.02428	4.0
106.04182	1.3
111.00856	1.8
112.98758	1.8
113.02442	3.8
120.01205	1.2
123.00885	36.2
124.01160	1.3
127.05175	1.3
128.03523	1.7
130.08714	6.7
131.04703	1.4
133.25688	1.2
135.04506	1.5
137.06087	59.4
138.03227	50.3
138.06390	2.4
140.08299	1.9
142.99889	1.0
143.11876	4.9
143.90178	1.2
144.07793	1.3
144.90930	15.7
149.59581	1.2
153.05569	14.7
159.02968	2.0
161.04568	9.6
166.08679	1.1
166.99852	12.7
173.00894	2.4
174.01701	22.4
182.02216	39.2
183.02707	1.2
197.04544	90.4
198.04865	4.7
200.14127	1.2
220.32620	1.0
230.11372	1.4
267.09863	1.8
278.99969	1.9
315.16724	7.2
330.85489	1.2
358.95688	30.2
359.09628	2.0
359.19739	5.3
359.96057	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
57.03445	2.1
58.00597	4.6
59.01381	100.0
69.47093	8.1
71.01386	63.2
72.01730	1.5
72.99306	3.2
73.02935	1.3
83.01427	2.8
85.02956	10.5
86.77086	1.1
87.00887	1.8
89.02447	64.9
95.01403	3.1
101.02451	41.0
113.02460	23.7
114.02782	1.5
119.03510	26.6
131.03523	2.1
137.27864	1.3
138.02007	1.9
143.03513	3.3
149.02449	14.9
149.04637	2.1
152.04716	1.4
164.04819	18.7
167.03583	1.7
175.87271	1.3
179.05612	3.1
179.07127	35.9
180.07423	3.1
182.05893	1.8
288.73593	1.3
297.85056	1.3
358.95746	1.9
359.13531	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	359.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07957	0.5
56.85532	0.4
57.21301	0.6
58.84657	0.5
59.01372	1.1
61.98816	0.8
71.09797	1.2
78.03506	0.5
79.95733	0.8
87.00845	0.6
91.45055	0.5
93.03474	1.1
105.03461	1.0
108.02174	1.1
111.53300	0.5
117.03492	1.1
121.02957	35.8
121.18411	0.5
122.03253	0.8
123.04556	1.5
132.02167	2.2
133.02965	4.5
134.03741	28.7
135.04457	2.4
136.01581	0.7
137.02452	2.6
148.05293	1.0
149.06087	4.1
150.03223	100.0
151.03523	5.5
160.01669	7.8
162.43655	0.5
165.05563	62.5
166.05887	4.4
175.03993	4.0
177.01862	0.7
178.02666	5.2
179.03445	1.9
179.10750	0.7
192.32654	0.6
193.05046	31.6
194.05389	1.7
306.17160	0.5
343.51553	0.5
359.11334	9.1
359.27872	1.2
360.11609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1248
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
56.47833	0.6
59.01370	1.3
59.53753	0.6
61.33746	0.8
68.32200	0.7
68.45205	0.7
70.66057	2.4
71.01373	1.3
72.00911	9.2
72.99294	1.3
74.02462	1.4
78.95892	1.0
79.95741	24.3
80.13235	0.7
80.96513	5.0
85.03046	0.9
87.00896	1.1
89.00646	1.0
96.71028	0.6
96.96004	1.6
99.00902	1.3
102.30030	0.8
112.98793	2.0
128.03546	1.0
129.10333	0.7
141.57777	0.7
142.99860	2.2
143.90150	2.2
144.90965	4.9
152.96834	4.3
165.28111	0.7
173.00911	4.0
174.01694	27.2
181.06665	0.9
193.06635	5.1
197.04500	2.6
206.07463	0.8
207.08121	4.2
209.06010	2.3
211.07635	3.2
219.08189	11.1
220.08452	1.1
223.07603	5.6
223.09529	0.8
224.08446	6.0
225.09193	6.4
234.09317	1.9
235.07707	1.3
236.10811	2.3
237.05492	2.6
237.09200	24.0
238.09509	2.1
239.09555	1.1
240.10265	2.7
241.11032	1.9
247.02773	2.5
250.06316	1.2
252.10214	8.3
253.08647	1.8
254.08250	2.6
254.11847	7.9
255.12263	1.1
256.07437	6.4
257.07748	1.0
263.07104	8.9
267.08807	1.0
268.07407	2.0
268.09854	1.9
270.11276	0.8
271.08572	1.5
273.10043	2.4
279.00015	3.0
279.06650	0.9
280.09802	9.0
281.08075	10.5
282.08575	1.6
285.10022	1.5
296.09149	2.1
297.07501	0.9
297.12567	1.0
298.10788	8.7
299.07944	1.4
299.11063	1.1
300.06396	1.6
308.69229	0.8
309.85339	0.8
313.11969	8.1
314.10190	1.6
315.13580	2.0
315.16772	1.3
317.09073	3.9
324.08765	6.6
341.11401	37.5
342.09995	4.1
358.91049	1.1
358.95709	30.2
359.00494	2.0
359.12479	100.0
359.96094	2.1
360.12875	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	359.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42796	0.3
59.01378	88.6
60.01722	1.1
60.46729	0.4
61.98823	1.7
70.07542	1.5
72.99316	0.5
90.97124	0.8
94.05310	0.4
99.44863	0.4
114.98824	0.4
118.96587	0.8
127.48939	0.4
132.98219	2.2
132.99068	0.4
156.99960	0.6
157.03595	3.0
158.36937	0.4
159.01492	1.6
171.58485	0.3
174.99254	22.5
189.00900	0.4
201.02554	23.3
202.02728	3.1
217.00296	100.0
217.97887	1.1
218.00647	3.5
218.98181	0.4
258.67236	0.4
264.84106	0.3
299.01074	0.5
317.00601	1.0
359.01508	5.0
360.01651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.05147	0.5
59.01385	2.8
65.91063	0.5
70.34538	1.0
70.34913	1.2
71.01380	1.8
72.24390	0.5
72.99319	0.6
73.04060	0.9
74.02457	1.4
79.95760	0.7
85.02934	1.1
85.42325	0.5
87.05632	1.0
95.01385	3.1
99.00880	0.5
101.02425	1.1
102.05622	0.5
117.69159	0.5
123.00888	43.8
124.01225	1.2
124.04033	0.6
127.05077	1.0
128.03514	1.7
130.08713	4.6
137.02434	0.7
138.03233	52.6
139.03596	2.7
140.08276	0.6
143.11890	2.6
153.05568	22.2
154.05917	0.8
155.03618	0.6
156.69691	0.5
166.99854	14.1
174.01614	0.8
182.02211	40.3
183.02539	1.9
184.07172	0.8
187.10953	0.5
197.04550	100.0
198.04890	6.0
200.14105	0.6
239.05566	0.7
298.13934	1.0
315.16693	5.7
326.18887	0.5
358.95676	0.8
359.09573	2.6
359.19699	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	358.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20763	41.8
61.98833	36.9
70.14012	100.0
70.14413	85.2
76.44011	49.5
78.60764	43.6
84.10231	39.9
98.19933	45.5
129.76764	51.1
130.64973	44.7
173.81866	42.3
312.00958	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40195	6.8
58.49415	7.4
61.98829	8.9
71.01386	59.9
71.61446	14.5
85.02915	9.6
86.02484	100.0
98.02446	16.3
116.03527	32.1
121.03103	9.4
131.31107	7.9
143.23589	8.4
164.81380	8.5
192.69925	8.5
277.21655	19.0
295.22644	11.1
336.95892	8.5
359.15225	14.4
359.22421	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	358.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32136	3.0
59.01093	6.2
59.01380	100.0
121.03017	3.8
142.83699	3.2
147.91469	3.4
180.85555	3.5
189.33330	3.9
230.01492	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	358.9572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43246	0.8
54.94218	0.8
59.01383	26.4
71.01362	4.6
71.09489	1.9
73.02968	1.1
74.02485	1.1
79.93972	1.9
79.95738	48.2
80.94722	3.4
80.96520	35.9
83.01395	1.6
87.05667	0.9
89.02439	1.6
95.01408	1.4
95.93454	1.1
96.96025	2.3
99.00858	2.5
101.02431	1.9
101.71710	1.0
105.15238	0.9
112.98808	8.2
113.02467	1.2
123.00877	12.8
128.03546	1.5
130.08731	2.2
137.02449	1.3
137.06073	13.6
138.03236	13.7
142.99860	7.0
143.90140	7.6
144.90938	49.4
153.05595	5.3
161.04549	3.2
166.99852	4.1
173.00952	8.0
174.01689	84.9
175.01968	2.0
182.02225	11.3
197.02831	2.0
197.04546	28.1
198.04848	2.4
209.35236	0.9
229.15544	1.7
231.03351	3.4
247.02850	1.2
278.99982	4.1
294.99493	3.6
315.16788	4.1
353.65506	1.1
358.19812	1.6
358.95691	100.0
359.19986	1.4
359.95877	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	358.9572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45872	1.0
59.01372	3.4
70.64717	2.3
70.65092	2.1
71.01375	2.3
79.95737	73.7
80.94743	2.0
80.95753	1.2
80.96516	31.5
80.96997	1.6
96.96018	3.4
99.00880	4.7
102.05632	1.8
109.01651	1.4
112.98801	8.8
117.39976	1.2
123.00886	1.2
128.03555	3.3
135.02988	1.4
138.03227	2.0
142.99854	6.2
143.90172	7.4
144.90945	45.5
159.87819	1.3
173.00932	16.3
174.01704	80.9
175.02075	3.8
175.06242	1.1
182.02234	1.2
184.83667	1.0
184.94054	1.7
197.04520	3.8
229.15590	1.5
231.03415	3.4
247.02695	5.2
274.80585	1.1
279.00153	2.4
294.99533	2.4
338.02115	1.1
358.19827	3.9
358.95691	100.0
359.12274	4.1
359.96085	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	358.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.71135	0.9
59.01371	2.2
61.79300	0.9
63.12322	0.9
70.02997	1.9
71.01382	3.4
71.61066	1.1
77.47922	1.0
80.64949	1.4
81.02202	3.2
82.06626	2.5
85.02920	1.7
87.05649	2.3
96.00925	11.6
98.02485	25.3
101.02456	1.8
108.08215	8.4
109.01687	1.9
113.02393	1.3
113.03576	7.5
114.01947	2.7
130.08742	66.1
131.04538	1.4
131.09077	1.7
138.09253	24.2
139.08730	5.6
140.07156	6.5
146.75204	1.1
152.07173	6.4
153.09128	1.2
163.08786	1.0
164.09512	2.3
165.10397	1.8
166.07321	2.3
166.08728	29.1
167.09131	1.2
168.10281	1.8
183.11349	1.3
188.63338	1.1
192.62839	1.0
194.08362	1.3
196.06123	4.4
199.18111	3.9
204.09016	1.8
225.16100	8.3
233.16608	4.4
235.18095	6.4
236.11636	1.0
243.17078	6.4
261.15994	8.6
279.17075	8.2
323.16104	100.0
324.16446	14.1
340.18747	38.3
341.18958	4.7
358.19702	9.1
359.16983	4.6
359.20776	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	358.1983
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
59.01385	4.8
61.98828	1.6
69.59838	5.9
70.02972	1.9
70.25983	1.0
70.62421	1.1
71.01384	3.8
74.02499	1.3
81.02203	6.9
81.03506	1.0
82.02993	1.8
85.02978	1.0
85.92320	1.0
87.05643	1.5
89.02447	1.0
94.84879	0.9
95.40246	0.9
96.00901	8.2
96.99497	0.9
97.04049	1.0
98.02470	17.6
101.02415	1.8
109.01698	3.1
111.03302	1.1
113.03566	5.2
114.01949	3.2
128.59995	0.9
130.08737	84.4
131.04610	1.4
131.09048	3.2
137.10741	1.1
138.09254	22.3
139.08766	3.8
140.07199	7.0
152.07202	1.7
156.06639	1.1
161.03488	1.9
163.04109	1.1
163.08784	1.2
164.09547	1.5
165.10347	1.8
166.08720	43.3
167.09117	1.7
168.10329	2.1
186.36681	1.0
199.18196	7.4
204.09030	4.3
209.09346	3.0
210.10147	1.0
225.15999	8.0
226.16278	1.4
227.10463	2.4
233.16577	3.9
235.18164	10.6
243.17122	10.6
253.19257	2.0
261.16031	9.7
279.17099	7.7
280.13412	1.0
280.17416	1.5
323.16104	100.0
324.16415	10.2
340.18744	43.4
341.18924	4.0
358.10205	1.5
358.19708	21.0
359.20334	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	358.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71197	1.2
53.83194	1.2
57.17865	1.2
59.01369	4.7
67.52244	1.3
70.02959	2.1
70.74259	2.5
70.74602	1.6
71.01370	2.8
81.02195	7.2
82.02977	2.5
96.00932	8.3
98.02483	18.5
108.08180	2.9
109.01694	18.1
111.01967	1.3
113.03570	9.1
114.01955	3.6
116.07174	2.2
128.03510	1.4
129.10359	16.7
130.08746	66.9
131.04648	1.9
131.09039	4.7
135.08034	1.3
138.09256	20.4
140.07144	6.2
152.07187	1.7
155.11958	1.4
156.35161	1.3
165.10292	2.7
166.08733	38.3
167.09108	2.9
168.10344	3.0
178.11049	2.1
183.11398	2.5
199.18105	6.7
200.18530	1.9
202.29921	1.5
210.07706	17.3
225.16028	5.4
226.12013	1.8
227.10368	3.8
233.16472	2.8
235.18108	9.4
236.16443	1.5
243.17044	5.8
261.16098	6.6
279.17062	7.8
323.16119	100.0
324.16476	8.6
328.12637	5.9
340.18771	44.2
341.18921	5.8
358.10056	1.8
358.19525	19.9
359.20703	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	358.1985
Annotation	Ile Ile Asp
Peak:m/z	Relative Intensity
57.01525	1.3
59.01378	15.5
61.98825	14.0
66.03468	1.2
71.01385	44.4
71.60631	1.5
72.00901	2.0
72.99310	1.4
74.02482	15.0
80.96493	1.4
82.03001	1.5
82.06609	2.9
85.02954	1.7
87.00914	1.8
88.03487	2.5
88.04041	43.7
89.02451	6.8
92.05063	1.9
98.02461	13.7
99.00878	1.7
101.02467	6.4
112.07648	1.7
113.02423	3.0
114.01980	1.7
115.00374	40.9
115.08764	1.1
116.07173	1.7
118.05096	1.6
119.03495	2.3
124.84657	1.3
128.03532	10.5
129.10341	24.3
130.08736	5.1
130.10681	1.3
132.03018	17.2
134.06105	4.7
136.04021	3.7
139.08841	2.3
149.02444	1.2
152.07085	1.4
157.13449	3.4
161.04514	1.4
166.08687	2.3
168.10341	3.1
178.04990	2.4
179.07054	1.7
194.08244	3.8
195.15158	2.0
196.06137	2.0
197.16588	4.4
199.18190	3.4
201.12479	1.4
207.11385	2.6
224.17639	2.6
225.16042	8.0
242.18736	83.8
243.17046	34.0
243.18936	3.3
244.17395	3.6
269.11374	9.8
270.21967	2.1
287.52386	1.2
313.14050	4.0
314.13632	3.9
314.20847	14.8
358.11078	3.9
358.16220	6.9
358.19852	100.0
359.20212	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	358.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	0.6
59.01383	5.3
61.98837	0.9
69.42329	4.5
71.01389	3.1
71.01711	0.5
72.99312	1.3
85.02947	1.5
89.02438	1.0
98.19817	0.9
101.02436	1.3
108.08195	100.0
109.08508	5.2
113.02480	1.8
113.49548	0.5
115.00376	0.7
118.79228	0.5
120.08188	2.6
130.08771	1.6
132.08179	2.1
133.02960	1.4
134.03746	0.8
134.06152	0.6
139.11313	1.0
147.61786	0.5
148.04050	0.9
148.07692	1.5
149.04811	0.8
152.07173	76.1
153.07539	4.1
160.01633	0.8
161.02440	6.2
163.06393	1.2
164.07138	1.5
166.08739	16.4
167.09007	0.8
176.07216	0.9
179.03540	0.8
183.10263	1.7
194.08202	10.1
195.08611	0.6
196.06149	58.7
197.04643	1.2
197.06487	3.5
199.13197	0.6
238.07190	10.3
239.07626	0.7
242.18845	1.1
243.12381	7.8
268.08286	0.8
275.83667	0.7
298.09277	6.3
328.18829	0.8
340.11884	2.0
341.11813	0.5
358.11362	8.9
359.11835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07848	2.1
61.98818	13.8
67.21810	2.7
67.25987	2.3
70.99599	29.2
71.27844	5.0
73.01158	3.9
76.39159	2.3
76.97034	5.2
86.99079	2.7
89.00668	100.0
121.02988	3.2
149.71111	2.4
152.05367	11.5
228.06329	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	358.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17635	1.1
54.37484	1.0
59.01383	11.0
61.98832	100.0
70.02985	2.2
70.95005	2.8
71.01392	5.0
71.44925	1.0
72.99319	1.2
73.01173	2.7
73.04097	1.3
74.02473	2.0
78.95918	2.3
79.95737	25.0
80.96532	10.2
83.01366	2.2
85.02972	1.4
87.00861	1.9
87.05634	1.5
87.17072	1.0
87.34027	0.9
88.04032	4.9
89.00661	1.4
89.02435	3.7
96.00945	3.8
96.95968	1.4
99.00889	4.1
101.02464	2.1
112.98808	2.7
113.02461	1.0
113.03612	4.9
114.01971	6.7
115.00370	2.0
117.05449	1.0
123.00901	3.7
124.00410	1.1
124.07576	1.0
125.02470	1.6
127.05157	1.9
128.03555	4.2
129.10347	3.9
130.08737	15.0
131.04633	3.5
132.03029	1.0
133.05077	3.9
135.04561	2.5
138.03217	4.4
139.08820	1.5
142.99881	3.0
144.90950	9.6
145.06183	1.6
145.09807	1.8
152.96854	11.0
153.01920	2.2
153.05569	1.5
155.08284	1.3
164.05779	3.0
165.10266	2.9
166.08699	1.2
169.09700	1.1
173.00928	3.8
174.01709	22.9
174.99231	1.2
178.05133	1.3
179.05588	1.1
182.02261	2.1
186.12512	1.5
197.04518	6.5
201.02609	1.5
208.10995	1.7
217.00247	5.4
225.09311	1.3
225.13556	4.2
226.12100	2.0
227.10193	1.3
237.09171	2.0
243.14624	5.7
244.13022	4.5
247.02721	2.0
315.13458	1.4
315.16763	2.1
324.12015	2.6
341.11151	1.8
341.14810	3.9
358.16843	5.3
358.95731	29.9
359.00952	3.4
359.11346	5.6
359.15350	9.0
359.19391	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	357.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86475	0.7
52.73800	0.6
59.01377	4.1
61.98832	100.0
68.69068	0.6
69.45446	5.7
71.01384	4.4
72.18235	0.6
73.02941	1.1
73.04081	0.9
73.16978	0.6
74.02463	0.8
77.16131	0.7
80.82948	0.7
85.02961	2.1
87.05666	0.8
89.02461	2.2
95.01441	0.8
95.05038	0.8
96.96004	6.9
99.05670	0.7
100.00385	0.8
101.02448	2.4
104.98404	0.9
107.41832	0.8
111.14633	0.7
113.02446	1.0
114.05579	0.9
116.07162	4.9
127.05193	1.4
128.03551	8.3
129.10373	0.8
130.08745	12.7
131.09059	0.9
132.02211	1.1
133.02538	1.1
134.03819	1.3
138.05650	1.1
141.10292	0.8
143.04665	3.1
143.11952	0.7
160.01677	4.8
161.02011	5.8
161.04646	1.1
162.02216	2.6
163.02423	1.5
175.04048	4.7
176.04379	7.6
177.04518	4.0
178.04857	3.2
179.07155	1.0
180.10370	1.7
185.16629	0.7
193.05101	1.0
195.05495	1.2
197.13094	1.1
208.42850	0.7
215.36263	0.9
223.10945	1.3
226.11977	1.8
227.10417	2.8
241.12056	1.6
272.08905	1.5
304.06122	0.8
306.07870	1.5
340.18710	4.2
357.21716	2.8
358.12457	1.4
358.20203	3.5
359.08063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96514	0.9
58.11501	0.7
59.01370	1.6
61.98832	100.0
69.40806	6.5
71.01365	0.8
77.67659	0.8
83.94254	0.8
85.02976	1.0
129.28337	0.7
171.10265	1.2
359.20795	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1344
Annotation	Saururin A
Peak:m/z	Relative Intensity
57.15973	0.9
59.01395	0.9
61.98826	2.0
69.49460	2.1
69.49876	4.3
70.99603	1.3
73.01164	2.1
77.03969	0.9
84.38464	0.8
88.96732	0.8
89.00656	4.4
93.03544	1.2
95.05022	4.0
104.13838	0.8
105.03454	19.7
106.03796	1.1
121.02956	6.9
123.04517	1.9
132.02153	3.7
133.02957	100.0
134.03807	14.4
136.01726	0.9
137.02449	4.8
139.03940	1.3
147.04555	1.2
149.02400	1.9
149.06036	4.2
151.04010	1.1
152.05432	1.0
160.01659	7.3
175.03975	4.7
177.01924	19.9
178.02695	11.8
193.05051	12.5
214.26993	0.8
327.09039	1.1
342.11066	70.2
343.11472	9.8
357.13416	91.3
358.13751	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.9
61.98830	100.0
68.99459	2.3
69.95165	11.3
73.01179	3.6
95.91679	3.7
98.20015	3.4
100.21860	2.2
105.03446	2.7
121.02965	7.8
133.02957	15.2
134.03737	3.9
158.14085	2.6
164.55154	2.3
177.01965	3.7
193.04987	2.9
234.02126	2.4
342.11142	11.0
342.40604	2.6
357.06229	3.6
357.13461	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	356.9601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27041	1.5
54.87354	1.3
55.49769	1.8
59.01358	2.3
61.98811	2.5
63.94467	61.6
63.96229	6.0
64.95251	98.2
70.25111	5.5
70.99600	2.4
71.01359	2.4
73.01178	3.2
73.21124	1.5
75.66180	1.5
76.95258	12.0
78.96817	100.0
89.00655	2.2
95.91689	44.5
96.92458	31.2
99.00826	1.6
101.00639	1.8
109.02949	3.3
110.94035	93.2
111.00917	2.1
111.93961	1.6
112.98792	2.9
120.92500	1.5
121.02951	19.2
142.91238	69.1
142.99948	1.9
153.01920	2.6
156.04420	1.5
173.00891	7.0
174.01680	2.4
180.54242	1.5
199.00456	1.4
247.02797	2.9
307.62183	1.9
343.79868	1.5
357.06021	7.7
357.26440	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	357.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.5
61.98816	5.1
63.94461	29.7
63.96218	5.0
64.95251	52.5
69.03467	4.8
70.99601	20.9
71.01374	13.0
71.53448	4.9
73.01175	11.6
75.00864	9.0
78.66173	3.6
78.96816	100.0
79.95744	9.9
81.03460	14.0
82.99612	5.9
83.05046	4.1
89.00665	8.0
97.02948	4.5
100.28317	3.4
101.00645	6.4
110.94015	36.4
111.00875	16.7
111.04539	3.6
113.00661	9.2
113.02448	5.0
113.44959	3.7
115.99355	6.0
121.02963	44.6
125.02412	4.0
126.98599	8.8
127.99398	27.8
129.00182	8.8
129.01921	5.5
130.99809	5.4
131.01732	41.3
139.03941	3.6
141.00165	7.9
142.98068	15.3
143.01689	8.4
145.01390	5.1
154.98059	12.9
156.99635	25.8
159.01239	8.0
172.99184	4.6
173.00879	9.3
174.01675	14.6
184.99170	28.5
189.02284	5.1
198.12036	3.6
217.01680	4.9
245.01149	6.9
249.04355	78.8
250.04706	6.0
258.87491	4.2
285.04358	3.7
357.06061	14.9
357.26355	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	356.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88754	10.2
57.61495	9.0
59.01379	86.8
60.01713	19.8
61.98822	34.3
63.94452	20.3
63.96231	23.2
69.34895	100.0
73.01175	49.7
76.97014	17.3
78.96803	55.6
79.95727	16.0
80.96390	42.3
83.36651	9.3
125.03014	9.8
130.08720	32.9
165.51227	11.8
168.04855	38.7
223.56215	10.2
270.21860	12.0
330.40967	12.0
335.75842	10.0
356.21863	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.98835	100.0
71.61080	0.7
71.61462	0.5
73.01170	0.5
78.96810	1.0
101.04324	0.7
116.16728	0.6
118.10699	0.5
142.99994	4.4
145.03293	1.0
147.04890	1.6
179.02080	1.1
202.99242	0.6
203.07204	0.6
222.40376	0.6
235.06337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0987
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01376	2.0
61.98819	2.3
69.57089	0.7
69.57501	1.4
71.01379	1.2
75.48401	0.3
79.95718	0.2
83.05017	0.4
85.02941	1.0
89.02454	0.6
98.02483	0.3
101.02425	0.3
106.06626	100.0
107.06971	4.0
108.08194	6.2
109.08485	0.4
113.02448	2.1
118.06629	1.0
120.08225	0.7
130.06622	0.6
130.08720	2.8
131.03757	1.5
134.06079	0.4
146.06139	0.9
150.05608	49.7
151.05948	2.4
157.08754	0.3
161.04501	0.3
164.07166	9.5
165.07524	0.3
166.22748	0.3
174.05637	0.8
192.06660	6.6
193.06944	0.4
193.41258	0.3
194.04581	28.0
195.04900	1.3
198.03735	0.3
199.18271	0.3
225.15985	0.3
236.05608	3.8
237.05801	0.3
266.06744	0.3
296.07809	3.4
316.52701	0.3
332.44540	0.3
356.09854	7.4
356.25565	2.3
357.10062	0.7
368.15833	0.3
370.63245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1504
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
55.00209	1.8
55.70870	1.6
59.01371	2.4
63.94458	2.8
64.95245	2.1
69.47829	10.8
69.48239	3.0
93.03461	5.0
94.71815	1.7
97.54093	1.7
104.98373	2.6
107.04992	2.1
117.80273	1.6
119.05029	1.8
120.99652	1.9
121.02959	8.9
131.01669	1.8
133.02977	12.8
134.03746	8.7
135.04521	10.0
136.04836	1.9
137.02423	2.3
147.04503	10.5
149.04884	2.6
149.06097	4.7
161.02437	5.7
162.05643	3.9
162.06862	3.0
171.10304	3.6
175.02711	4.6
176.03510	24.7
177.04242	5.5
179.02010	1.6
189.04367	3.1
190.05081	22.5
192.06631	2.0
204.06552	3.7
239.16515	11.8
249.04436	3.5
265.14383	8.7
325.09567	1.9
326.10251	3.8
340.11902	19.6
340.18259	1.7
341.12689	82.5
341.86136	1.8
342.09445	1.9
342.13007	9.2
356.11679	3.9
356.15039	100.0
357.15372	11.6
357.19147	5.5
357.22928	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26325	0.5
59.01381	7.9
61.57611	0.5
69.54929	3.9
69.55270	0.6
71.01385	4.0
72.74315	0.5
85.02949	1.0
89.02440	3.2
98.20655	0.9
101.02436	1.6
113.02474	1.8
117.37022	0.5
119.03479	1.6
132.02170	13.4
134.03728	8.4
135.04025	0.7
149.06049	1.9
151.04056	0.5
160.01657	68.9
161.02020	3.9
167.11859	0.6
175.04001	100.0
176.04356	6.5
180.73338	0.5
191.07208	2.1
193.05066	14.8
194.05414	1.1
197.02867	0.6
202.02722	1.1
207.06528	0.8
217.05011	5.8
218.05333	0.6
235.06079	3.1
238.19341	0.5
258.93051	0.6
265.07190	1.4
295.08258	1.9
355.10370	6.2
374.80188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.8
69.46118	6.8
71.01381	3.6
79.93840	0.8
79.95733	1.2
85.02943	1.2
89.02451	3.6
106.06622	60.4
108.08150	1.9
113.02436	1.7
116.96516	1.0
117.03453	0.9
118.06569	1.0
119.05049	1.8
121.02954	17.2
122.03716	2.6
131.03598	1.2
132.02161	1.8
134.03743	1.1
135.04533	1.5
136.07632	1.6
138.05540	0.8
147.04517	6.6
149.02441	94.1
149.04521	8.8
150.02867	5.0
150.05603	41.8
153.09181	1.5
160.01694	1.2
163.03989	1.7
164.04793	62.0
164.06915	7.3
165.05083	3.9
173.57816	0.9
175.03986	2.1
177.45580	0.9
178.99928	2.0
179.07147	5.1
192.06651	6.4
193.05058	2.7
194.04565	13.5
223.06104	100.0
224.06483	7.6
236.05652	1.5
276.34604	1.2
296.07700	2.1
307.38358	0.8
355.13666	1.5
356.09808	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	355.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
59.01382	100.0
60.01733	1.4
61.98831	1.8
63.96258	1.6
70.99612	11.2
71.01386	21.2
71.59934	2.4
72.99319	3.1
73.02954	1.8
75.00855	1.7
78.69130	1.7
83.01400	1.7
85.02954	5.0
86.99101	3.8
87.00879	5.0
87.59631	1.2
88.04043	1.7
89.02444	19.2
96.96976	2.5
99.00851	1.7
101.02452	12.0
101.28189	1.2
103.04002	3.1
113.02419	6.4
114.98606	33.0
119.03499	4.8
129.01918	1.7
131.03461	1.5
134.03734	5.6
134.04674	1.7
135.12112	1.4
143.03587	1.6
161.04536	4.4
175.05983	1.2
178.02721	1.8
179.05638	3.6
192.06343	2.5
193.05122	12.0
193.06891	2.0
202.75978	1.2
263.07727	3.1
295.13959	1.6
312.05313	6.2
313.06046	10.4
338.16879	1.3
355.10632	27.9
356.11200	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01395	1.6
61.98803	1.9
69.39722	1.3
69.71980	2.6
69.72386	5.4
75.86731	1.3
81.65662	1.3
84.25866	1.4
85.02944	2.1
109.02943	2.2
119.50286	1.3
122.03738	11.8
127.07713	3.2
129.60748	1.3
131.04144	1.4
134.65718	1.2
135.04529	31.7
136.01686	1.7
147.08154	3.3
149.09724	8.8
151.07657	2.3
154.02698	2.2
161.09743	8.1
163.07632	3.4
163.11284	59.9
164.08412	16.0
164.11542	1.9
165.09195	10.7
177.09212	78.2
178.05017	1.4
178.09975	21.9
179.10774	83.5
180.11140	8.1
183.10228	1.9
191.10785	15.3
192.11208	1.5
193.08736	8.1
244.19292	1.1
265.12323	1.8
280.14673	4.5
298.15720	51.8
299.16064	5.5
299.19141	1.3
307.17062	2.1
309.22028	1.7
337.21716	49.8
338.22040	6.8
340.17178	1.8
340.20413	86.3
341.20737	14.5
355.22815	100.0
356.23126	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
57.03446	0.5
59.01387	2.0
61.98828	2.4
71.01389	2.1
71.44822	0.8
74.99086	0.9
78.60324	0.4
79.93961	0.4
79.95760	0.4
85.02953	5.3
87.00897	0.5
89.02447	0.5
93.03480	0.4
96.93253	0.4
101.02421	0.5
106.04304	0.5
108.04539	0.4
109.94067	0.4
111.92946	0.5
112.93737	0.9
114.05606	0.9
115.00346	0.5
119.03524	0.5
119.04970	0.4
121.02953	1.3
130.08711	0.6
132.02182	1.5
133.02928	1.8
134.03746	69.0
135.04068	3.1
137.02446	8.7
138.02769	0.4
139.04030	2.6
139.04924	0.5
140.91397	0.5
147.02971	0.7
149.06082	18.9
150.03230	0.9
150.06453	1.2
160.01642	6.8
161.02043	0.5
174.01675	0.8
175.02509	0.5
175.03987	10.2
178.02719	32.7
178.99686	0.4
179.03044	1.6
180.10378	0.4
191.01927	1.1
191.05589	0.7
192.05933	0.7
193.05049	100.0
194.05367	4.9
209.03027	3.4
217.05057	0.8
240.17097	0.5
263.94351	0.4
293.12454	0.5
295.08118	0.4
355.10190	1.2
355.19763	0.5
356.13892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
57.61369	0.4
59.01376	8.4
71.01381	4.3
72.70313	0.5
77.46206	0.5
83.62687	0.5
85.02959	1.1
89.02446	2.6
95.01403	0.6
101.02437	1.5
113.02440	1.7
119.03487	1.0
120.51745	0.5
132.02176	14.4
134.03738	7.6
147.04533	0.7
149.06090	1.5
160.01660	66.4
161.02016	3.3
175.04005	100.0
176.04338	5.5
191.07132	2.5
193.05058	16.4
194.05466	0.9
202.02710	0.9
217.05067	5.0
235.06091	3.8
239.36890	0.5
249.69980	0.6
265.07208	0.7
268.98465	0.5
289.74976	0.6
295.08264	1.8
296.08783	0.6
355.10388	5.0
356.10562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	17.4
63.94468	18.3
69.40646	85.2
73.01174	15.1
78.96812	100.0
79.95742	70.5
80.96497	13.6
85.06573	8.4
99.02734	18.0
106.73452	8.0
118.95483	10.2
143.01732	31.2
143.90129	19.7
194.82877	10.3
219.01758	9.0
223.81129	9.9
237.14902	11.3
246.15895	8.9
283.05267	18.5
290.93051	10.0
330.84940	10.3
355.24823	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0823
Annotation	(R)-Sulindac
Peak:m/z	Relative Intensity
51.27613	0.8
54.76505	0.8
59.01376	2.0
61.98835	1.0
70.81635	1.4
70.81947	1.2
73.01167	1.2
85.02947	1.4
119.05033	19.6
120.05347	1.6
121.02956	90.7
122.03304	4.7
128.26416	0.9
141.06039	0.8
143.88835	1.0
162.03249	1.5
163.04013	10.4
169.01440	1.1
178.99779	1.5
181.06581	2.9
225.05547	1.9
294.16159	1.0
311.09265	100.0
312.09518	12.3
355.08252	42.3
355.12631	2.4
355.24979	3.4
356.08374	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	355.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83730	7.6
57.03454	10.3
59.01377	18.7
69.36819	62.6
69.37225	20.1
71.01389	22.3
73.02952	9.3
73.26543	10.4
75.53739	8.6
82.86481	9.2
85.02935	46.6
87.00887	20.1
89.00695	23.0
89.02456	40.7
113.02465	8.9
149.04533	100.0
174.01688	11.9
176.03894	25.0
191.01927	13.6
193.03314	10.3
193.05061	16.9
238.12433	10.1
287.76953	8.9
345.25436	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	353.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.2
63.94464	5.2
64.22941	1.1
64.95251	6.2
68.99813	9.9
69.85898	2.3
69.86304	4.1
71.01387	7.0
72.99306	1.5
73.01179	10.0
74.40620	1.0
78.56536	1.1
78.96814	5.4
79.95734	12.3
80.96539	7.7
83.01389	3.4
83.05038	6.0
85.02930	1.9
87.00858	10.6
88.83693	1.1
89.00663	2.4
93.03464	8.8
95.01385	13.1
96.02188	5.6
96.99318	11.5
98.00101	4.4
99.00883	2.7
101.00677	5.2
104.98360	6.5
105.03802	2.9
106.97973	2.6
109.02934	1.0
110.94012	1.5
111.04515	4.1
112.98806	4.2
115.00385	18.7
115.02209	3.4
115.50106	1.1
119.01734	2.6
127.00338	3.0
129.99074	2.3
131.01752	1.3
137.00993	13.8
142.99861	2.9
143.01680	1.8
143.04521	1.4
143.90169	1.3
153.02036	1.1
155.03503	13.0
157.03316	1.3
159.01176	2.0
173.00870	1.7
174.01700	100.0
175.02478	37.1
176.02881	1.2
181.82686	1.3
187.00693	1.7
187.02542	1.5
190.17804	1.0
215.05618	31.7
216.05838	1.3
217.01808	1.8
219.03326	1.5
247.02835	20.0
247.08173	4.3
247.35612	1.2
272.94067	1.7
318.87137	1.0
352.91470	1.9
353.07312	26.6
354.07376	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	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.14304	0.2
59.01361	0.3
69.81895	1.5
79.95733	0.9
86.68880	0.3
96.96012	6.0
98.19893	0.6
120.56017	0.3
122.97569	0.4
147.08113	0.3
161.06062	0.4
163.11288	97.4
164.11617	6.7
177.09210	72.3
178.09560	4.7
185.51035	0.3
197.62216	0.3
204.03030	0.2
222.09097	0.6
234.17030	0.3
266.95813	0.3
353.21182	100.0
354.21521	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	354.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.6
61.98826	5.7
70.97077	2.8
71.01382	2.6
74.57580	1.2
75.61241	1.4
87.00883	100.0
88.04054	4.0
89.02436	1.4
92.56406	1.4
96.96983	1.4
101.02450	2.2
101.72568	1.5
134.03708	3.5
134.04674	2.6
149.06027	3.6
159.03165	2.0
160.04041	3.0
174.05656	3.7
191.05858	5.9
192.06712	14.8
193.05084	4.6
231.27805	1.2
349.42401	1.4
354.11990	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	353.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76180	0.7
59.01384	5.9
63.94462	10.3
63.96217	1.2
64.95248	100.0
69.26344	3.3
69.26772	3.5
70.99598	5.3
71.01377	0.8
72.97536	2.0
73.01171	10.6
75.02735	31.2
78.95926	1.5
78.96832	1.0
79.95730	3.5
80.96531	1.6
85.02949	8.8
87.99886	0.6
95.91702	3.1
97.02919	1.0
98.79836	0.8
101.00668	23.4
104.98383	16.9
106.99960	15.3
111.92936	0.9
112.93740	2.0
117.00184	2.0
123.04483	1.0
126.98581	0.9
129.00169	1.5
138.97162	16.3
142.98071	1.2
143.04605	0.7
143.90179	2.4
144.99693	4.0
156.99678	1.0
163.09787	0.7
173.96370	1.0
174.01668	6.5
217.01743	78.5
218.01978	3.3
220.44386	0.8
227.00328	1.1
245.01326	1.1
354.06390	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	353.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24295	0.4
56.62824	0.4
58.70372	0.3
59.01396	2.3
61.98827	0.5
63.94463	9.6
63.96221	0.4
64.95248	100.0
65.95185	0.8
67.08978	0.4
70.93343	1.1
73.01180	0.6
75.02739	28.9
78.96828	1.1
79.93970	0.8
79.95736	3.1
80.96525	1.2
83.01380	0.5
85.02965	0.4
95.67621	0.4
95.91674	3.6
99.64178	0.4
101.00671	0.7
104.98383	17.2
106.99955	23.4
108.00294	0.5
111.92937	0.7
112.93728	1.7
112.98811	0.6
113.02482	0.4
118.14719	0.4
121.04750	0.4
128.22488	0.4
129.00159	0.5
138.97162	16.1
143.90144	2.0
151.62222	0.4
155.55069	0.4
156.99628	0.8
157.60651	0.4
174.01717	3.6
177.01740	0.4
186.50577	0.4
186.52811	0.4
207.91272	0.4
217.01776	1.2
245.01396	0.9
354.06235	0.5
378.95236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99450	2.1
59.01389	14.8
59.16543	2.2
63.94450	3.2
68.99815	7.6
69.03461	2.6
71.01373	10.7
71.04753	5.4
72.97546	2.8
73.01178	16.9
78.96812	6.4
79.95723	8.2
80.96536	5.1
83.01380	2.9
83.05022	4.9
87.00869	12.9
90.65240	2.0
92.08162	2.2
93.03446	6.8
95.01390	10.3
96.02188	4.5
96.96011	8.4
96.99294	8.8
97.69900	2.0
98.00076	5.7
99.04539	5.7
101.00677	8.3
104.98438	11.2
109.02957	17.2
111.92937	4.1
113.92502	6.0
115.00387	27.4
115.02183	4.6
135.00859	8.4
143.04620	2.3
153.01944	94.5
154.02231	7.7
155.03488	13.2
173.00883	2.5
174.01700	100.0
175.02481	58.9
186.93176	2.2
191.05595	2.2
215.05629	30.9
217.01767	2.5
247.02791	23.6
267.00409	2.6
353.03040	5.3
353.19675	3.7
353.23529	23.7
354.06088	4.0
354.23642	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	353.037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60186	0.7
53.43534	0.6
57.17208	0.7
59.01379	100.0
60.01713	1.4
63.94463	4.1
63.96230	0.9
68.18389	0.7
70.92746	0.8
70.93076	1.1
71.01380	1.8
73.01183	1.7
78.96813	26.0
79.95741	1.3
80.96527	1.6
83.01390	1.7
85.02983	1.2
85.72443	0.7
87.00858	0.8
87.05154	0.7
89.00657	1.0
92.68559	0.7
95.14085	0.8
98.20579	1.0
99.00909	1.1
101.02423	0.9
101.59476	0.7
118.96334	0.7
120.95920	1.9
137.09793	0.7
142.99922	2.0
203.50630	0.9
257.60376	0.7
260.73221	0.6
353.20578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14351	1.6
53.71838	1.6
56.51458	1.9
56.86920	1.6
58.02968	14.8
63.94476	2.8
69.82343	9.7
72.00930	2.0
74.00705	12.3
74.02470	26.8
78.96819	7.6
82.02975	10.6
86.02485	12.4
87.05654	6.0
97.04091	6.3
99.05644	23.1
100.00407	22.5
101.07234	3.0
102.05644	6.0
105.99709	1.8
107.06133	2.3
107.26550	1.7
109.04134	2.7
110.30320	1.8
111.41055	1.9
112.04089	1.9
123.05657	2.0
125.03545	4.4
127.05127	2.9
128.03539	96.6
135.05641	6.5
141.06700	3.1
143.04619	100.0
144.05022	2.6
145.06165	2.8
146.04587	7.6
151.05135	4.9
153.06708	6.1
166.09872	5.0
167.04631	4.3
167.08264	3.5
169.06183	18.5
169.09273	1.7
170.03268	2.4
171.04059	1.9
175.01822	6.2
179.04611	22.1
185.03886	7.5
185.05586	3.8
197.05646	4.2
203.04999	6.8
210.08833	22.0
210.41188	1.8
254.07825	33.1
255.08057	2.8
272.08893	55.1
273.09158	4.9
286.05081	4.5
304.05957	8.5
334.05566	1.9
352.06351	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
70.22425	3.7
71.01374	2.7
72.00897	3.1
73.01167	2.1
79.93962	17.5
83.91065	1.0
85.02982	1.2
87.00856	1.4
87.04507	0.9
92.05054	4.0
94.02973	1.0
94.84831	0.9
107.03770	1.2
108.04560	30.7
110.02796	0.9
115.00348	1.2
116.05070	37.8
117.05389	1.2
120.04558	5.4
120.97890	29.7
122.02458	1.5
122.06131	7.7
128.05052	1.0
130.06644	9.9
134.06140	1.2
136.04050	15.7
138.05624	100.0
139.05946	4.7
142.06644	3.9
149.04851	1.2
150.05623	4.4
152.07201	4.5
157.06461	1.9
157.07721	28.9
163.04993	1.2
164.07214	1.3
165.06714	1.3
167.06111	1.6
168.06912	5.6
169.07768	9.5
170.08020	1.0
175.02480	2.1
176.67900	0.9
179.08267	57.0
180.08569	3.6
191.08272	29.1
192.08568	1.4
235.08653	1.2
236.09518	2.6
247.08763	13.0
248.09517	9.6
251.11951	2.3
261.10318	6.1
262.10773	0.9
263.11789	3.0
265.09851	5.1
266.10605	4.9
273.10349	4.7
274.10706	1.8
279.11411	9.4
290.12967	5.2
291.11288	2.3
306.12488	1.0
306.53830	1.1
308.14038	77.6
309.14352	11.2
352.13141	10.0
353.13156	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	352.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63318	0.3
53.54714	0.4
59.01379	3.4
61.98823	1.7
65.27262	0.4
70.13512	0.4
70.13841	1.7
73.01175	0.5
78.96812	0.7
79.95746	8.8
80.96506	0.6
88.81952	0.4
92.76520	0.3
95.95235	5.1
96.96011	94.5
98.20612	0.5
138.97058	0.7
152.00233	4.2
168.51872	0.4
173.00893	0.4
184.02893	0.4
289.19131	0.4
308.19101	3.6
352.21619	100.0
353.17712	0.9
353.21945	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	352.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	10.8
59.01371	6.2
63.94468	1.4
66.03500	1.5
68.58883	1.4
71.01386	1.8
71.60302	1.9
71.99125	1.9
72.00883	1.8
72.99300	1.9
74.00708	11.5
74.02471	22.3
74.34839	1.3
75.00942	1.7
75.43001	1.3
78.96812	6.0
82.02978	8.9
86.02470	13.2
86.06127	2.4
87.05628	5.7
89.00713	1.8
97.04057	4.9
98.79346	1.5
99.05643	17.7
100.00412	20.5
100.04047	2.6
101.07192	3.2
102.05643	3.1
105.99651	1.8
109.04074	3.0
109.07729	1.6
111.00856	2.1
111.05599	1.8
112.04034	2.7
119.03549	1.5
120.01218	1.8
123.05677	2.7
125.03532	3.3
127.05085	3.3
128.03542	89.7
129.03873	2.9
135.05637	6.3
137.07181	2.5
141.06657	2.4
143.04622	100.0
144.04987	3.3
145.06120	3.8
146.04610	9.8
151.05124	4.4
151.82823	1.5
153.06708	4.1
165.04065	2.4
166.09818	2.6
167.04599	3.7
167.08267	3.6
169.06178	17.3
175.01787	3.9
179.04655	21.7
181.06192	2.8
185.03871	6.3
185.05571	3.3
191.05553	4.3
192.07803	2.3
197.05598	3.9
203.05058	7.2
203.06650	1.4
210.08873	20.1
228.09821	2.1
248.18117	1.4
254.07835	35.7
255.08156	4.5
272.08859	57.1
273.09067	4.3
286.04932	4.8
304.06027	8.8
334.05328	3.8
352.06342	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	351.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66497	0.5
59.01376	1.0
61.98806	0.7
62.37341	0.5
63.94467	40.4
63.96239	3.5
64.95250	39.7
69.50458	4.4
70.99599	1.3
73.01176	13.9
79.93970	0.6
79.95743	10.0
80.96516	1.9
81.95332	1.0
83.01395	0.8
85.02962	1.2
98.19857	0.7
101.00696	0.6
104.98391	57.7
105.03796	5.0
105.98735	0.9
107.48480	0.6
111.92954	9.7
112.93784	0.8
112.98831	1.0
113.00632	0.5
113.02413	0.8
113.92531	2.0
121.91599	0.6
129.00168	0.7
137.01012	100.0
138.01242	1.9
141.00166	6.0
143.90184	5.5
144.90924	2.0
156.00624	1.1
157.01413	1.7
173.00882	0.7
174.01736	0.9
184.94118	1.5
186.63454	0.6
189.09633	0.6
258.96027	1.9
260.95563	1.6
351.05789	3.0
351.22031	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47346	3.4
58.02969	6.6
59.01381	40.1
61.98831	12.0
71.01360	17.4
71.60077	5.3
72.99316	7.5
73.02969	7.1
74.00697	6.7
74.02472	16.1
82.02992	3.4
85.02953	8.1
86.02486	4.3
87.00877	14.7
87.05624	4.6
89.02446	5.7
96.00919	7.0
96.96948	4.5
97.37908	3.7
99.05654	11.4
100.00412	9.7
101.02426	11.3
110.93233	3.5
113.02479	3.6
116.07162	7.9
128.03546	36.2
129.05585	4.8
130.08748	3.7
131.03772	9.9
134.03751	5.0
135.04507	15.9
136.97316	4.9
143.04623	29.5
144.04562	97.5
145.04901	100.0
146.06100	16.1
158.06102	52.6
161.04597	5.8
169.06180	3.8
170.05991	4.0
172.03949	3.8
179.04587	7.9
180.06641	6.6
181.07709	3.6
188.07172	21.9
192.95839	14.5
199.08804	7.0
200.07060	4.6
202.05064	16.4
210.08817	8.0
254.07750	14.6
272.08896	18.0
308.12433	16.3
336.51263	3.5
352.06271	8.8
352.19724	8.1
367.31302	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.3
59.01123	1.3
59.01381	8.4
61.98818	1.6
63.94468	20.9
63.96227	3.6
64.10188	1.3
64.95239	15.4
67.19581	1.2
70.99606	6.8
71.01380	1.8
71.61132	1.8
72.97533	1.9
73.01172	35.8
73.02911	1.5
79.95741	22.8
80.96520	3.8
81.95318	2.4
85.02953	8.0
97.02948	2.1
99.00874	1.2
99.04539	1.5
101.00667	30.0
101.49136	1.7
104.98380	25.2
105.03802	5.9
105.98722	1.3
111.92953	31.9
112.92967	1.4
112.93724	1.8
113.92539	8.6
117.00176	2.7
129.00189	1.6
137.00998	37.1
142.98109	3.7
143.90143	3.7
144.99625	6.5
145.89755	3.5
156.99648	2.9
168.74504	1.2
198.97522	1.2
217.01752	100.0
217.92015	1.3
218.02095	7.2
258.95895	6.9
260.95456	5.3
310.46268	1.3
318.52386	1.5
351.05466	2.1
351.21765	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87827	0.5
58.42443	0.5
59.01397	3.4
61.98825	0.9
63.94465	43.2
63.96231	2.8
64.95249	39.5
70.90415	0.9
70.99636	1.1
71.01387	0.7
73.01173	12.0
79.93963	0.6
79.95742	8.1
80.96508	1.7
81.95323	1.3
82.96111	1.1
83.01391	1.2
85.02928	1.0
94.13888	0.5
95.74980	0.5
102.46075	0.6
104.98388	58.8
105.03819	4.2
105.98732	0.8
111.92953	3.4
113.00674	1.1
113.02470	0.8
113.92529	1.3
120.22017	0.7
122.74623	0.6
137.01012	100.0
138.01334	2.5
141.00163	5.7
143.90152	3.5
144.90913	1.2
145.89766	2.6
146.90555	1.2
152.05374	1.0
157.01411	1.6
173.00951	1.1
174.01677	0.6
184.94052	1.1
186.93546	0.6
197.11885	1.2
276.23059	0.5
279.95511	0.6
288.44189	0.5
340.58054	0.5
351.05646	1.9
351.21802	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03131	7.7
59.01371	26.2
61.79574	7.7
61.98826	9.5
70.99650	7.9
71.60965	10.9
71.61339	8.9
73.01169	16.0
79.95721	45.0
91.50900	9.2
99.00887	7.9
104.71400	7.5
104.98405	20.0
110.52736	8.1
111.92950	10.4
112.98793	18.7
129.37108	7.1
143.90157	12.4
159.97371	8.3
173.00935	19.7
174.01721	100.0
180.82985	7.0
184.68526	9.3
190.63663	7.4
207.56299	7.9
279.00015	16.0
351.21701	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	351.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18185	2.4
59.01374	11.9
63.94476	3.6
69.49941	9.0
69.50364	9.1
71.01381	2.5
73.01176	17.4
78.02256	2.3
79.95740	11.6
80.96529	2.9
83.05028	2.9
84.49728	2.2
92.87377	2.9
99.00877	5.0
103.48716	2.6
103.97585	5.1
104.98380	40.7
105.00130	2.6
112.98808	12.7
113.43159	2.4
129.00215	2.4
142.99857	10.4
152.96758	2.8
153.03793	3.6
164.07178	3.0
173.00903	9.6
173.02437	2.2
174.01709	100.0
183.75455	2.8
259.01031	5.8
279.00006	13.0
316.97894	2.8
351.21762	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	351.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
58.87430	1.2
59.01377	10.3
59.20992	1.2
63.96249	6.3
64.95248	12.3
71.01391	9.3
71.61299	1.8
73.01173	68.0
79.90253	1.3
79.95734	8.2
80.96511	4.9
83.01385	2.4
84.97527	11.3
85.02966	6.5
85.03398	1.2
86.99101	20.4
87.00870	1.5
90.96808	3.9
96.95983	1.5
99.00874	9.3
100.88480	1.4
102.98608	13.8
105.00196	3.3
111.00906	3.4
112.98810	34.1
113.00628	1.3
113.02448	4.1
115.00391	2.4
118.96310	100.0
120.99665	11.9
135.04510	1.7
136.97339	2.7
141.00133	4.8
142.99857	17.3
168.99640	2.0
170.00467	4.2
173.00905	27.1
174.01688	3.6
209.02745	2.9
229.01729	1.6
230.02515	31.2
231.02914	1.5
245.01120	2.5
287.05768	1.4
333.01169	9.8
351.02151	13.6
351.21634	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.59665	0.4
55.01865	0.5
58.00585	1.7
58.25668	0.4
59.01379	32.2
60.01713	0.6
67.62534	0.5
71.01384	18.1
71.60371	0.8
72.01665	0.5
72.99299	2.0
73.02938	1.1
75.00799	0.4
79.95736	1.7
80.96516	0.8
83.01371	1.9
83.67736	0.5
85.02946	3.7
87.00880	1.7
89.02444	15.2
95.01380	1.8
99.00854	0.7
101.02447	11.9
101.19072	0.5
106.91878	0.4
108.09441	0.5
111.92955	2.4
113.02450	7.3
114.02822	0.4
119.03493	6.3
126.15707	0.4
139.11285	1.1
141.12856	29.3
142.13206	1.9
143.90117	0.6
161.04472	0.5
169.12349	5.3
171.13863	1.5
179.05557	0.5
183.13887	1.9
185.11781	0.8
187.13391	58.6
188.13741	4.2
229.14407	1.4
281.04398	0.5
349.18658	100.0
350.18976	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	350.055
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96244	11.5
66.35471	4.0
69.51269	3.8
70.48532	4.5
70.48827	6.9
70.99593	21.0
71.01391	11.6
80.96725	4.6
82.40413	3.9
89.00666	100.0
96.21792	3.5
99.00874	5.7
105.00165	16.5
112.98806	14.5
142.99854	64.2
173.00938	16.5
173.38675	3.9
176.03860	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	34.9
63.94464	10.1
64.95221	9.3
71.01391	7.5
71.61506	9.6
79.95753	39.8
95.91686	27.1
99.00867	15.4
103.88982	7.6
104.98377	12.2
106.98012	10.0
111.00928	10.1
112.98798	66.6
142.99854	30.0
173.00896	100.0
174.01625	17.1
254.94279	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	351.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98048	0.7
59.01374	1.3
63.94466	6.1
63.96221	0.7
64.95254	3.1
67.18794	0.6
70.99609	1.5
71.01370	0.9
71.61025	0.9
73.01173	100.0
74.01116	0.6
74.01508	2.3
75.00854	0.6
76.95238	1.4
79.95743	3.1
80.96527	1.8
89.00673	0.8
90.96822	0.5
99.00861	1.0
102.96137	1.2
102.96822	22.4
104.98384	20.9
112.98813	3.2
135.94810	11.6
136.95590	13.0
142.99890	2.4
145.03081	0.6
159.04906	0.7
173.00851	3.8
174.01698	13.8
175.02509	1.0
187.07521	0.6
193.08453	1.6
215.98410	0.8
239.00481	1.2
289.48010	0.6
306.05038	0.6
317.01602	2.3
351.00668	1.3
351.21552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34494	1.0
59.01381	100.0
70.94515	0.9
71.01374	3.8
71.60842	1.3
72.99284	1.5
73.02960	2.6
73.27311	1.0
78.16306	1.1
79.95746	2.0
80.96523	2.0
85.02943	2.2
88.04061	1.6
89.02470	3.1
90.91714	1.2
98.32948	1.0
101.02431	3.0
113.02415	2.5
113.28638	1.6
123.18730	1.0
128.40660	1.1
161.04594	1.2
161.07222	1.1
349.09561	1.5
349.18649	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
52.91136	1.4
55.01880	3.0
57.03455	3.5
58.00603	6.5
59.01381	100.0
59.31891	1.2
62.53952	1.2
71.01382	89.0
71.60930	1.6
72.01743	2.0
72.99314	6.8
73.02950	12.9
75.00863	1.9
79.95744	1.6
80.96497	3.4
83.01383	7.2
85.02957	24.5
87.00883	4.7
89.02447	74.4
90.51142	1.4
90.71646	1.3
95.01381	5.9
99.00868	5.3
101.02447	58.3
102.02789	2.4
113.02455	40.3
114.02734	1.5
119.03506	30.6
125.02494	1.7
131.03519	5.6
134.05009	1.2
140.00543	2.1
141.01294	2.7
141.09230	1.4
143.02554	1.4
143.03464	8.0
149.04535	1.9
159.02927	2.6
161.04564	22.0
179.05600	16.3
187.13416	8.2
230.60446	1.3
302.01874	1.2
349.18665	35.0
350.18967	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	348.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54099	1.0
59.01382	100.0
59.38701	1.1
61.98816	1.4
62.58230	1.1
62.90825	1.1
70.52512	2.5
70.52895	2.4
79.95718	1.3
95.91692	1.2
99.92580	1.3
109.61912	1.2
129.23166	1.1
138.00136	2.1
138.03821	3.2
141.12825	1.1
166.03467	1.2
232.85793	1.1
282.04590	1.3
310.50363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.0
59.61376	0.6
61.98831	1.0
63.96239	6.2
64.95243	2.7
65.88352	0.6
69.53435	5.4
72.99352	0.8
73.01159	5.0
75.00750	0.9
78.64146	0.8
79.93961	3.0
79.95740	64.8
80.95706	0.7
80.96517	16.0
81.95351	1.5
82.96077	0.9
93.61213	0.7
96.95996	1.1
102.65665	0.6
104.98405	4.3
106.99959	1.6
111.92952	100.0
112.93717	3.8
113.47479	0.7
114.65238	0.8
142.99944	2.0
143.16451	0.7
143.90152	27.6
144.90988	3.5
152.96857	2.7
194.99765	1.9
199.49879	0.8
258.95947	33.8
259.96182	2.1
348.97308	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	348.9736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
61.98837	1.2
63.96237	4.6
64.95258	1.7
71.53005	1.9
73.01171	3.7
79.93972	2.8
79.95738	63.7
80.96519	12.1
81.95325	1.3
83.77399	1.0
90.32838	1.0
90.94516	0.9
92.14153	1.1
104.98411	2.8
111.92949	100.0
112.67696	1.0
112.92973	1.6
112.93736	4.4
127.46906	0.9
129.03792	2.3
136.95627	1.4
142.99916	1.8
143.90155	24.1
144.90926	1.9
152.96902	3.1
217.90117	1.5
218.90660	1.1
238.38478	1.1
258.95947	35.6
259.95935	1.2
348.97610	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	348.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58592	0.4
58.88509	0.4
60.86693	0.6
61.98833	100.0
63.99263	0.9
69.97332	1.7
89.72964	0.5
93.89861	0.6
98.19910	0.6
162.98492	0.9
177.15092	0.7
204.00078	2.0
205.00079	3.6
205.99724	6.0
206.97443	58.7
207.97566	5.4
232.99629	0.5
260.52155	0.5
277.36774	2.4
277.86578	3.2
278.36621	2.1
278.86530	1.0
317.34656	0.8
317.84555	1.6
318.84409	0.9
348.32071	1.5
348.81705	5.2
349.31848	2.4
349.81659	0.8
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
55.01885	0.7
58.00591	1.8
59.01382	50.0
60.01714	1.3
68.58211	0.6
69.03467	1.3
70.43729	0.9
70.44091	2.2
71.01386	27.6
72.99310	5.7
73.01169	0.7
73.45071	0.6
79.95747	0.7
83.01395	2.1
83.04993	0.7
85.02950	5.6
87.00887	1.0
89.02448	25.5
90.02753	0.7
95.01408	2.4
99.05684	0.9
99.08146	1.6
101.02447	20.4
102.02758	0.7
104.04728	0.6
106.04239	0.7
113.02461	10.5
119.03511	13.4
128.03545	1.7
131.03493	1.1
139.11295	5.9
143.03522	1.1
143.04602	1.6
144.05008	1.2
149.04558	1.2
161.04616	0.8
164.51604	0.6
167.10782	100.0
168.11134	5.8
179.05692	1.3
185.11832	26.2
186.12160	1.7
222.86972	0.6
238.12305	1.0
238.62296	0.6
239.12680	1.9
242.18671	0.6
347.17111	93.8
348.17380	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	348.04
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50140	1.7
59.01380	5.5
59.11799	1.6
63.96228	3.8
69.78881	9.2
70.99584	2.2
71.01383	2.2
73.01159	13.1
76.97004	2.4
79.35049	1.6
79.39274	1.6
79.95741	10.3
80.96510	5.2
99.02744	6.6
137.04277	2.4
139.02266	2.4
140.01805	2.6
141.18616	2.0
150.05565	3.9
152.01836	3.9
153.02542	3.9
166.03314	74.2
167.04048	10.0
168.04878	100.0
169.05219	3.8
174.44403	1.5
184.00671	6.1
191.04100	7.6
196.07063	1.9
196.55968	2.2
199.02986	3.3
206.06448	14.4
207.06760	2.3
210.02303	2.2
240.05162	2.6
251.06133	4.2
284.04080	2.9
347.39929	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	347.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64661	11.9
57.03450	29.5
59.01367	12.7
60.94917	10.1
61.98802	15.4
62.02385	11.7
62.89101	11.4
71.01380	100.0
71.59906	19.4
73.02950	17.5
78.95911	33.0
80.13920	11.2
80.80681	11.4
83.01402	27.5
85.02964	16.3
87.00879	16.5
87.39279	10.8
87.76347	10.8
99.00878	49.9
99.97261	10.5
111.00890	57.9
112.98816	33.0
124.98804	10.7
125.02480	15.2
128.03539	13.2
129.01962	75.5
130.08777	17.8
142.99821	99.9
154.99915	22.5
173.00922	78.6
178.05399	15.3
179.55965	10.7
196.64745	13.4
335.25589	12.9
347.10834	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
56.87450	0.7
57.03429	3.0
59.01375	3.7
59.41010	0.7
64.95227	0.8
68.99807	1.3
70.81642	1.5
70.81998	1.5
71.01385	9.8
73.01170	1.2
73.02961	1.1
73.84780	0.8
79.95744	1.1
80.96484	1.0
83.01376	3.4
85.02953	16.5
87.00883	1.2
89.00668	4.1
99.00883	22.7
101.00648	2.0
105.14284	0.8
109.02896	0.9
111.00874	7.0
112.98808	67.9
113.99170	1.1
115.00372	3.9
117.00167	0.9
124.98792	1.8
127.00384	0.7
129.01941	1.5
141.00140	0.7
142.99860	42.6
144.00145	1.6
145.01405	5.6
146.15802	0.7
152.96819	2.2
168.99651	2.8
173.00911	100.0
174.01651	9.9
175.02396	0.9
229.01747	5.7
230.01912	0.8
247.02835	10.5
255.02837	1.6
260.98959	2.2
261.99731	5.0
284.03360	0.9
300.02576	0.9
315.04990	1.4
347.02490	3.6
347.24255	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	346.9577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61028	0.8
59.01384	1.8
60.03149	0.6
63.94482	0.9
64.95251	2.4
67.64403	0.8
69.67497	1.3
69.67912	3.8
73.01175	25.2
79.95262	1.3
79.95741	36.9
80.96518	100.0
83.05036	1.4
84.02142	1.0
89.00689	0.7
96.96024	2.9
99.04536	2.0
102.96848	3.6
103.97597	1.1
104.98382	2.8
112.93718	4.3
127.02185	0.8
129.03802	4.2
135.08138	1.3
135.94800	4.0
136.95636	4.4
142.99976	1.6
152.96858	2.8
153.09227	1.4
174.97112	0.9
174.98705	0.7
183.93272	1.0
184.94048	1.8
215.90495	5.8
216.91241	2.8
254.69455	0.8
272.93951	0.9
346.26059	1.5
346.95813	11.2
347.18393	1.6
347.95737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89420	1.4
54.47353	1.5
58.02975	1.7
59.01394	8.9
71.01389	11.5
71.59658	2.2
71.60084	2.1
73.02914	1.4
74.02476	3.4
74.99990	1.4
78.98586	1.8
79.93966	37.3
85.02922	2.1
86.42560	1.3
87.00879	11.3
89.02429	3.4
94.96317	100.0
99.05633	1.8
99.92577	1.9
101.02476	2.2
102.90534	1.6
105.55698	1.4
107.70505	1.5
113.02453	2.7
115.00381	22.0
128.03523	2.9
143.04617	4.6
175.02484	55.9
175.24106	1.7
176.02852	2.5
273.09079	2.0
304.13513	2.5
317.36252	1.6
347.12738	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	347.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89420	1.4
54.47353	1.5
58.02975	1.7
59.01394	8.9
71.01389	11.5
71.59658	2.2
71.60084	2.1
73.02914	1.4
74.02476	3.4
74.99990	1.4
78.98586	1.8
79.93966	37.3
85.02922	2.1
86.42560	1.3
87.00879	11.3
89.02429	3.4
94.96317	100.0
99.05633	1.8
99.92577	1.9
101.02476	2.2
102.90534	1.6
105.55698	1.4
107.70505	1.5
113.02453	2.7
115.00381	22.0
128.03523	2.9
143.04617	4.6
175.02484	55.9
175.24106	1.7
176.02852	2.5
273.09079	2.0
304.13513	2.5
317.36252	1.6
347.12738	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	346.0559
Annotation	Adenosine 2'-phosphate
Peak:m/z	Relative Intensity
59.01373	2.2
61.98520	0.8
61.98832	13.3
62.96400	1.1
64.03661	0.5
65.21060	0.6
71.01378	2.4
71.60177	0.7
72.99287	0.6
73.04117	0.5
74.02481	2.4
78.95905	67.4
82.02995	0.5
87.00882	0.6
87.05652	0.6
88.04048	0.7
89.00683	0.6
92.02534	0.7
96.96967	16.4
101.02441	0.7
101.07256	0.5
101.86923	0.5
102.05613	0.8
104.03526	1.6
107.01364	0.9
107.03635	1.9
110.02487	0.6
112.04034	1.0
113.02493	0.7
115.00400	0.7
120.96978	5.9
127.05175	0.9
128.03557	5.0
129.10320	0.6
130.08734	1.9
134.04732	36.1
135.05058	1.2
136.97325	0.8
138.05579	0.6
139.04041	0.8
140.04376	0.8
141.01784	0.7
143.04584	0.7
143.11908	1.2
146.04628	1.0
151.00369	2.1
152.00697	3.0
155.11923	0.6
158.75604	0.5
166.05113	1.0
169.01428	1.8
169.09789	1.4
170.01784	2.1
171.01782	0.6
180.10368	1.2
186.12437	2.4
187.10924	1.1
197.02829	0.8
197.12996	0.6
204.00024	2.4
211.00127	100.0
212.00502	4.0
217.11958	0.6
241.11928	0.7
258.14420	0.6
260.49539	0.6
267.10040	0.7
284.16144	0.6
298.14066	1.2
304.07959	1.5
316.15024	1.4
328.14948	1.2
346.05414	12.5
346.15857	6.7
347.05673	1.2
347.09897	0.8
347.13977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43002	0.6
58.02962	1.0
59.01384	6.8
61.98801	2.4
71.01380	6.7
71.60699	0.9
73.04057	0.6
74.02477	6.5
78.95897	6.1
80.05008	0.6
82.02968	1.1
84.00905	1.4
85.02911	0.7
86.02475	0.6
87.00863	0.7
87.05643	0.8
88.04030	0.9
88.62431	0.6
89.02458	0.8
95.05024	4.4
96.00905	0.9
96.96938	2.9
110.02462	0.9
112.04046	32.9
112.98801	0.8
113.02428	1.2
113.03554	1.8
113.04324	1.2
114.02686	0.6
118.05079	1.5
119.03503	0.8
122.06077	0.8
123.00890	1.7
124.01183	1.1
124.04042	10.1
126.05602	4.2
128.03545	2.4
128.92993	0.7
130.08727	1.9
131.04585	1.0
134.04735	1.5
138.05579	1.9
139.03659	1.0
139.08789	1.2
140.07182	5.2
143.11911	1.1
148.02747	1.1
150.03198	0.7
151.00394	0.8
154.05118	6.4
165.05510	1.4
166.05086	100.0
166.08737	2.7
167.05453	5.7
169.01385	1.5
169.09857	1.0
177.10278	0.7
179.11920	2.0
182.08221	28.9
183.08560	1.4
184.06151	9.6
187.10909	1.5
205.09811	1.0
211.00134	1.6
223.11000	1.2
226.07191	8.8
243.06367	0.7
267.09787	6.7
268.10284	0.8
284.12607	2.4
311.12503	1.8
328.10461	4.7
328.15213	2.9
346.05487	1.3
346.11517	22.5
346.16241	3.4
347.11987	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	345.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88160	0.6
57.03439	0.8
59.01378	1.8
59.88532	0.5
65.00320	5.7
69.18341	0.5
71.01395	1.2
71.60661	0.7
72.99294	0.8
78.98623	0.6
83.01392	4.1
85.02953	1.3
87.00823	0.8
92.39579	0.6
95.01413	0.7
99.00894	0.6
101.39808	0.5
107.00700	0.8
107.01398	13.2
113.02454	1.2
125.02431	3.7
149.02470	0.9
151.00365	100.0
152.00690	3.7
152.05373	1.6
169.01416	79.1
170.01781	3.8
178.90417	0.5
182.45810	0.5
193.01421	1.2
211.02573	0.8
238.05296	0.8
265.09027	0.9
290.21506	0.6
301.05688	1.3
345.04596	24.5
346.04767	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	345.1555
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
50.17513	1.0
54.26857	1.2
54.62299	1.1
54.66325	1.0
56.46408	1.2
57.03442	1.2
58.00599	2.1
59.01384	56.2
61.98834	2.8
65.80177	1.1
69.54130	2.2
69.54543	7.4
71.00992	1.9
71.01384	34.9
72.99313	5.4
73.02918	1.5
83.01382	2.8
85.02937	6.6
87.00860	1.2
89.02450	28.6
95.01379	2.0
101.02449	20.6
113.02453	13.4
119.03505	12.0
121.10243	43.3
137.09727	9.0
151.00314	1.1
161.04591	1.9
165.09215	69.6
166.09480	5.4
179.05675	1.6
183.10265	37.1
184.10590	2.3
225.11333	1.2
345.15543	100.0
346.15900	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69498	13.4
58.18261	12.2
71.31348	24.7
73.68839	13.6
74.46270	12.1
84.14066	12.2
91.18417	16.5
151.00330	14.5
169.01364	19.0
171.10381	15.5
174.28053	12.7
199.11032	13.8
291.19669	26.9
305.09705	15.0
309.20773	100.0
310.20673	15.2
337.92102	13.0
345.25360	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.5
60.01720	0.6
61.98830	100.0
70.74886	0.4
78.74204	0.2
95.27000	0.2
102.31532	0.2
114.32331	0.2
166.40201	0.2
201.02560	0.7
202.02710	2.2
203.02299	2.6
203.99986	43.2
205.00130	4.0
259.44238	0.2
334.76807	0.2
346.01108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77913	2.5
57.30889	2.7
59.01386	34.6
61.98810	3.3
71.01392	32.7
71.09724	6.1
72.00911	14.2
72.99315	5.2
74.02458	2.9
78.95911	5.4
87.00897	5.5
88.04063	2.9
89.02450	35.5
101.02443	9.5
107.99645	2.5
113.02427	9.5
119.03497	7.2
123.00942	4.0
138.03252	3.7
147.04529	38.3
149.02425	4.6
150.03156	5.4
151.00360	12.0
164.07164	100.0
165.05544	5.5
165.07463	3.0
169.01424	11.3
179.05632	7.4
228.17178	5.1
344.10709	4.8
344.18088	10.1
345.17841	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	344.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54579	0.9
56.53065	0.9
59.01379	3.3
68.21547	0.8
69.32920	8.4
70.02978	1.7
70.68793	0.8
71.01383	2.5
73.04083	1.1
78.99856	0.8
81.02191	4.3
82.02985	2.6
82.06618	1.4
87.00903	0.9
87.05630	1.5
96.00903	7.8
98.02475	18.7
109.01707	3.6
110.02479	1.2
111.03293	1.0
113.02451	1.0
113.03544	7.0
114.01984	3.3
115.08773	2.5
116.07166	10.7
121.02905	1.0
121.09389	0.9
124.07681	8.0
125.07234	5.4
126.05594	5.7
130.08742	60.4
130.19519	0.9
131.09082	3.0
136.05342	1.0
138.05528	0.9
138.09254	17.0
139.07678	1.1
139.08702	1.0
140.07178	2.4
140.10648	0.9
151.00359	2.1
151.08748	2.1
152.07170	30.5
153.07526	1.3
154.08766	1.4
157.13460	4.0
161.03517	1.1
163.08749	1.2
164.09566	1.3
166.08701	9.6
168.14030	1.0
169.01410	2.2
169.09860	1.1
176.09694	0.9
180.04282	1.2
181.03377	1.1
181.04726	1.4
183.14882	1.2
185.16629	6.1
195.07671	1.0
201.12421	1.7
204.09059	2.2
211.14485	7.2
213.08804	2.5
214.15605	3.8
219.15102	3.3
221.16595	9.8
222.10120	2.7
222.17093	0.9
229.15570	9.9
239.17650	1.2
247.14484	8.3
256.10507	1.0
265.15579	8.1
266.15985	1.1
300.15674	7.0
309.14560	100.0
310.14853	9.5
326.17200	48.7
327.15097	1.0
327.17511	3.7
344.09644	1.2
344.18149	19.4
345.18866	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	344.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	2.6
59.01377	3.8
60.04548	13.6
66.67901	2.3
70.02984	13.6
71.10075	4.6
71.10399	2.8
72.00927	2.5
85.76059	2.4
86.02466	11.5
88.04046	100.0
100.04051	99.1
135.76947	2.4
137.02963	2.3
142.92502	2.4
168.32433	2.5
175.68927	2.5
224.47090	2.5
225.22212	13.1
237.22278	3.5
253.21741	10.3
255.23309	22.4
267.23270	31.3
278.24966	4.6
284.25977	8.7
308.25974	21.5
309.26340	4.0
312.25513	8.4
316.28543	10.8
344.28061	70.5
345.28369	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	343.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.7
61.98829	1.9
65.00315	1.1
68.58767	0.8
69.93248	3.7
92.42474	0.8
93.03446	3.9
117.03449	0.9
119.01348	1.0
121.02955	15.9
123.64235	0.8
124.87933	0.9
131.01393	0.9
132.02202	1.3
134.03740	4.2
135.04518	3.3
137.02356	1.0
139.11252	0.9
147.04555	4.6
149.02444	64.8
150.02908	3.2
152.01135	3.7
153.01935	1.2
163.04041	4.4
164.04793	49.8
165.01888	2.7
165.05173	2.7
169.05063	1.7
171.10260	1.3
173.00882	0.8
174.01646	2.8
179.07088	2.8
193.01447	4.7
193.05058	2.8
194.02202	2.8
208.03709	2.8
209.04546	7.4
223.06113	100.0
224.06462	6.8
313.07068	5.6
328.09470	4.9
343.11804	17.4
343.24860	2.5
344.12195	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.49824	1.3
59.01376	2.4
61.98829	2.6
64.24715	1.0
66.62222	1.0
67.11700	0.9
69.03457	1.8
71.18759	1.9
88.15486	1.0
95.53321	1.1
97.06581	1.3
99.08160	4.0
117.03446	1.4
121.10191	6.1
125.09766	1.3
133.02960	1.2
134.03749	13.3
134.04700	1.8
135.04453	1.5
137.09692	1.9
139.11256	1.4
157.25308	1.1
165.09143	1.4
171.10263	45.6
172.10654	2.2
174.01682	3.2
193.05046	13.5
193.12357	7.8
205.27502	1.1
225.14949	11.4
243.16013	2.5
255.61522	1.0
293.21191	4.1
343.24875	100.0
344.25198	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	343.1186
Annotation	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
Peak:m/z	Relative Intensity
56.26749	0.2
69.49060	0.2
69.73661	1.4
77.04002	0.2
89.03963	2.2
95.05029	0.4
95.47243	0.2
105.03468	1.7
106.04266	0.3
109.02926	0.2
117.03469	7.1
117.04257	0.5
119.05064	0.4
121.03020	0.7
132.02193	0.5
133.02965	11.1
134.03746	100.0
135.04608	8.1
136.04840	0.5
137.02435	3.7
139.04021	1.1
147.04588	0.5
148.05283	0.9
149.06085	6.1
149.07213	0.4
150.03270	0.3
150.06392	0.6
160.01700	0.8
175.03961	0.5
177.01971	0.7
178.02730	3.0
179.03505	9.8
180.03876	0.7
193.05058	99.6
194.05408	6.5
224.25804	0.2
244.46399	0.2
323.25189	0.3
328.09543	1.4
343.11847	22.3
344.12219	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	343.1033
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
59.01384	13.8
60.01725	1.2
61.01792	1.5
69.86781	3.8
70.72055	1.0
71.01386	9.6
72.00913	2.6
72.01733	1.3
72.05775	1.2
78.95919	1.4
85.02957	1.4
89.02451	8.8
90.02793	1.5
91.02885	1.5
95.01386	2.4
101.02429	5.3
107.05032	23.0
107.39191	1.0
108.05398	1.3
113.02476	2.3
116.07146	2.2
118.16891	0.9
119.03500	2.2
119.05030	7.0
120.04538	1.2
121.02963	2.7
121.03831	1.3
123.00885	25.7
124.01653	11.2
129.10333	1.5
135.04526	100.0
136.04843	6.1
137.02515	1.6
137.06096	15.9
137.85762	1.1
138.03232	13.6
138.05507	1.3
139.04022	11.7
149.02405	1.7
161.02415	3.1
161.04523	1.3
162.02780	1.5
163.04016	55.4
164.04376	2.0
164.07181	1.0
165.01987	1.5
166.02699	2.5
181.05043	15.3
191.87827	1.1
209.09691	1.8
210.10066	4.6
254.08983	1.8
269.09961	1.5
271.11731	9.3
343.10165	11.7
343.20001	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	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	90.0
60.01715	1.0
60.38940	0.2
61.98835	0.5
69.86047	0.4
69.86441	0.7
98.19920	0.3
111.84332	0.3
113.04660	0.3
156.90765	0.3
157.03563	6.9
158.03778	0.6
159.01515	2.8
201.02556	100.0
201.89366	0.4
202.02736	9.9
258.46811	0.3
343.03696	2.8
344.03729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0821
Annotation	3',4'-Dimethoxywogonin
Peak:m/z	Relative Intensity
56.50720	0.5
59.01376	2.7
60.51774	0.6
61.98812	0.8
70.37886	1.5
71.01341	0.9
78.95864	0.7
81.40802	0.5
89.02447	0.6
98.20627	0.5
129.94635	0.5
134.03746	5.8
134.04674	1.2
142.12367	0.7
149.05911	0.5
151.00310	0.5
158.22440	0.5
159.22833	0.6
161.02415	0.6
171.10205	1.7
173.24599	0.5
174.01807	1.0
174.03136	0.7
186.03131	0.6
193.05046	5.9
197.11597	0.7
198.03171	2.3
201.01874	1.3
201.11230	1.1
202.02637	1.2
210.03178	3.0
211.03777	0.6
211.13377	0.6
213.02106	0.8
213.05540	0.9
214.02806	2.4
215.03658	0.7
225.05550	1.4
226.02669	7.9
227.03317	1.6
229.01335	1.2
230.02022	1.0
239.03510	0.9
241.04990	1.1
242.02208	10.9
243.02692	0.8
245.04453	1.0
253.01465	1.7
254.02228	4.6
255.02774	1.6
256.03647	0.7
256.13657	1.1
257.04547	1.2
267.02872	0.5
268.03656	1.0
269.04474	1.0
270.01678	19.1
271.01926	1.9
281.00952	1.6
282.01532	0.7
283.02496	2.2
283.52521	0.5
284.03156	1.8
285.04068	24.4
286.04318	1.8
297.04050	3.5
298.01199	5.0
299.02109	0.7
299.05508	2.7
312.02753	1.0
313.03528	88.2
314.03857	8.0
327.05124	6.5
328.05859	22.7
329.06268	2.3
343.08218	100.0
343.21213	8.6
344.04163	0.9
344.08505	11.7
344.21579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.9442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69221	1.2
57.11991	1.6
57.98839	1.6
59.01380	3.3
61.98827	2.8
70.57716	3.4
70.58076	2.8
71.01358	2.2
71.18594	1.3
73.01183	1.5
83.01394	1.8
83.05047	1.8
95.05046	1.6
96.68764	1.4
112.98804	4.5
117.03458	4.8
121.02931	2.4
133.02975	7.2
134.03743	75.1
135.04535	7.2
137.02440	3.2
142.99820	5.5
148.05292	4.3
149.06078	4.1
171.10309	4.2
172.10643	4.7
173.00926	6.4
174.01703	100.0
175.02028	4.0
178.02724	2.3
178.05119	2.7
179.03520	6.4
190.04955	1.8
193.05078	75.9
194.05318	3.8
279.00043	12.7
322.29266	1.6
342.13626	2.2
342.23648	9.7
343.11377	12.4
343.24167	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	342.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38916	0.7
57.03448	1.6
59.01379	3.1
61.98817	1.0
62.70719	0.7
63.94459	5.3
63.96231	0.7
64.95248	77.8
69.54933	0.7
69.55493	5.5
71.01384	32.0
73.02945	2.2
78.96820	7.8
81.03476	1.5
85.02950	11.9
87.00875	0.8
87.04514	21.0
89.02451	1.1
92.75330	0.8
95.91689	3.2
98.95620	0.9
99.04504	1.7
101.02434	0.7
104.46233	0.7
110.94033	100.0
111.93970	0.7
115.00243	0.7
120.99639	1.0
134.04741	1.8
141.05594	2.1
141.77235	0.9
159.06636	6.1
184.99133	1.1
203.00237	1.0
263.02274	1.9
342.99860	3.1
343.21313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
61.98838	0.8
63.94461	3.6
64.23447	0.4
64.95250	68.3
65.95186	0.5
66.69655	0.3
71.01382	7.9
71.61430	0.7
73.02955	0.7
75.00867	0.9
76.06631	0.3
78.96812	1.9
79.93950	0.6
80.15506	0.3
80.96518	1.6
85.02956	4.3
87.04508	6.0
89.02431	0.7
90.09325	0.4
93.58996	0.4
95.91677	2.4
101.00677	1.5
101.02460	0.5
110.94032	100.0
111.93965	1.3
129.00171	0.9
139.26799	0.3
145.26514	0.3
159.06644	1.8
228.38043	0.4
245.01120	0.7
251.12823	0.4
342.99948	3.4
343.11682	1.0
343.21347	2.6
344.00366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44893	1.5
58.00597	2.2
59.01384	8.3
70.02980	2.8
71.01360	2.9
71.61761	2.2
80.73851	1.6
81.39875	1.7
82.69281	1.7
84.02163	2.6
85.02953	1.8
86.02486	19.8
88.04047	7.5
89.02431	1.7
94.40620	1.7
190.55894	1.4
193.05347	1.7
225.22218	7.5
236.90070	2.0
248.23817	5.9
252.23360	6.3
253.21667	19.1
254.22173	2.5
255.23314	16.3
276.23328	4.4
294.24396	6.8
314.27036	22.1
315.27151	3.0
342.26492	100.0
342.30090	9.1
343.26666	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	342.9443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.3
61.98835	1.6
71.01392	2.4
83.01393	2.3
83.42759	1.6
89.01315	1.8
98.20649	3.9
99.08131	2.4
104.60847	1.6
112.98802	5.6
134.02649	3.8
134.03741	30.9
135.04543	3.9
137.02457	2.4
142.99838	3.4
149.06055	2.4
150.57329	1.6
152.53693	1.8
173.00911	7.0
174.01698	100.0
175.02045	3.3
178.02704	1.6
179.03526	3.2
189.33022	1.6
193.05054	36.2
227.25027	2.0
229.09586	2.0
235.13327	2.1
267.11282	1.9
279.00116	13.5
301.97504	1.9
311.10132	2.6
343.12064	7.2
343.24820	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	342.9442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.8
61.98819	1.9
70.63862	4.1
71.01371	2.1
71.62625	1.3
73.01173	2.4
78.95908	2.4
78.96396	1.2
79.95776	1.1
83.01394	1.4
97.06568	1.9
99.00905	1.9
112.78689	1.1
112.98826	6.2
113.02425	1.4
134.03725	1.6
134.04709	3.4
135.04543	1.5
142.99883	6.9
148.05269	5.0
149.05615	2.8
168.99652	2.3
171.10271	8.3
173.00964	7.4
174.01694	100.0
175.02022	2.8
178.05055	3.9
190.05119	1.9
201.11241	1.6
279.00064	13.9
280.00168	1.5
282.21100	1.3
296.92523	1.4
307.53104	1.3
342.13351	3.8
343.13690	4.8
343.21161	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	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34081	1.2
52.09455	1.3
56.99813	1.3
57.03437	2.1
58.00581	2.9
59.01382	100.0
60.01695	2.4
70.56821	3.0
71.01385	72.6
72.99319	3.1
73.02953	2.4
83.01384	3.1
85.02956	10.8
87.00848	5.4
89.02448	89.5
90.02765	1.7
95.01370	3.7
101.02448	30.3
108.96638	1.5
109.23353	1.5
113.02456	28.2
119.03499	37.3
121.08389	1.4
122.15250	1.2
131.03514	4.4
143.03488	9.7
149.04517	8.6
161.04567	10.1
179.05614	36.0
202.59355	1.3
252.15433	1.7
341.10852	44.7
342.11185	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	342.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48403	0.5
59.01383	1.7
61.98824	1.0
64.49284	0.4
68.41270	0.5
69.50156	3.7
71.01402	0.8
72.01713	0.8
72.62778	0.5
83.05035	0.5
85.02953	0.9
89.02460	1.7
95.05053	0.7
101.02433	0.6
102.02802	0.5
104.92121	0.5
109.02954	1.9
113.02438	0.6
121.03017	0.7
122.03754	0.7
123.04558	1.6
124.01646	0.6
133.02977	1.9
134.03758	7.5
134.04756	0.5
135.04532	27.2
135.08159	0.6
136.03954	0.8
136.04892	1.7
137.02504	0.7
139.29634	0.5
147.04530	11.6
148.05312	65.6
149.06056	5.2
150.05508	0.7
153.09206	0.6
160.04016	1.0
161.02452	2.1
162.03235	0.6
162.06851	5.1
163.06380	1.2
171.10274	7.6
172.59726	0.5
175.02705	0.5
176.03532	8.0
177.04317	5.3
178.05101	47.4
179.05440	3.1
189.04314	1.7
190.05101	22.0
191.05522	1.4
192.06671	3.1
201.11397	1.1
202.05283	0.9
204.06636	1.1
229.14526	0.8
283.09824	2.1
326.10339	1.2
327.11108	17.0
328.11444	1.8
342.13467	100.0
343.13889	11.3
343.21204	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	342.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14296	0.4
59.01384	1.0
61.98820	0.4
69.39023	2.9
80.96534	0.5
83.05058	0.4
83.91415	0.3
88.35147	0.3
91.05525	0.5
95.05028	0.6
105.03463	0.8
106.22397	0.3
107.05013	0.5
109.02929	0.9
111.72971	0.4
121.02950	0.8
122.03738	0.9
123.04555	1.0
124.01658	0.7
129.68370	0.4
133.02965	2.0
134.03749	8.2
134.04697	0.7
135.04533	25.7
136.03966	0.8
136.04887	0.9
137.02435	0.4
147.03343	0.7
147.04527	11.7
147.41829	0.4
148.05307	73.1
149.04768	0.5
149.06033	5.6
150.03230	0.7
150.05589	0.9
156.39383	0.4
159.04459	0.6
160.04063	1.1
161.02461	1.9
162.03146	0.6
162.05647	0.7
162.06866	4.9
163.06404	1.3
166.08736	0.5
171.10300	0.6
175.02725	0.8
175.04047	0.7
176.03552	7.0
177.04335	5.8
178.05095	43.1
179.05470	2.8
189.04356	1.0
190.05098	21.5
191.05504	1.2
192.06712	3.0
201.11378	0.8
202.05040	0.6
204.06548	2.3
208.31729	0.4
211.13454	0.7
221.45175	0.4
229.14468	1.0
283.09756	1.4
284.10416	0.4
326.10422	1.2
327.11124	19.8
328.11310	1.8
342.13458	100.0
343.13828	13.0
343.21069	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
57.03453	1.7
58.00594	3.4
59.01381	100.0
60.01726	1.2
64.67169	0.8
69.56488	1.7
69.56887	3.0
71.01383	68.8
72.01718	0.8
72.99308	3.6
73.02946	1.2
83.01379	2.2
85.02960	9.6
87.00895	4.2
89.02445	84.3
90.02782	1.9
95.01373	4.7
101.02447	31.2
113.02454	25.9
119.03507	32.0
120.03872	1.3
123.47561	0.7
125.02455	1.1
125.58663	0.7
131.03482	4.7
143.03499	8.5
149.04555	6.1
161.04550	9.2
179.05614	32.7
179.07191	1.7
180.05977	1.9
184.71840	0.8
196.32692	0.8
341.10895	37.9
342.11301	2.9
347.04868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.7
57.03439	1.9
58.00596	3.7
59.01381	100.0
60.01711	1.0
69.74323	3.0
71.01384	68.3
72.01735	1.3
72.99312	2.8
73.02941	1.3
79.86098	0.4
83.01401	2.2
85.02950	8.6
87.00878	4.0
89.02445	87.4
90.02797	0.9
90.46826	0.5
95.01385	3.9
97.02978	0.6
98.20654	0.9
99.00898	0.7
101.02446	30.4
102.02752	0.8
107.03524	0.7
113.02451	27.3
114.02792	0.7
119.03506	28.5
120.03767	0.6
125.02464	1.1
126.08237	0.5
131.03499	5.1
143.03513	7.3
149.04585	4.4
151.00710	2.8
161.04553	8.8
168.17744	0.5
176.68968	0.5
179.05612	29.7
211.96390	0.5
341.10876	39.0
342.11295	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	341.0877
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.00585	1.9
59.01377	57.7
61.98829	5.7
71.01382	40.7
71.15295	1.3
71.15620	1.3
72.01723	0.9
72.99312	3.5
73.02948	2.4
79.75704	1.0
83.01399	1.4
85.02929	7.8
87.00880	2.0
89.02441	42.2
95.01372	2.4
99.00874	1.5
101.02441	17.7
107.04989	0.8
112.93755	1.1
113.02445	16.3
119.03513	16.4
119.04920	0.8
131.03510	2.1
133.02945	12.1
134.03693	2.6
135.04521	98.2
136.04800	4.6
143.03482	3.5
149.02449	1.1
149.04544	1.7
161.02448	44.7
161.04411	5.1
162.02736	2.5
179.03473	100.0
179.05566	16.6
180.02443	1.1
180.03789	5.9
206.75732	1.1
272.02823	1.4
300.03000	1.8
301.03177	3.1
341.08435	9.5
341.11029	13.0
342.08957	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	341.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03440	1.2
58.00599	3.4
59.01381	100.0
60.01727	1.1
61.98859	1.0
63.49769	0.8
69.94253	4.4
71.01385	61.2
71.05029	1.7
72.99312	3.5
73.01191	1.1
73.02963	2.8
77.13001	0.8
83.01394	3.3
83.88938	0.8
85.02943	12.2
87.00891	4.0
89.02447	70.6
90.02786	0.9
91.02222	1.6
95.01394	5.3
101.02448	34.1
103.59824	1.1
113.02452	25.0
119.03505	26.9
119.04311	1.8
120.56549	0.9
131.03517	4.6
133.03001	1.4
135.04535	1.0
143.03497	6.8
149.04596	1.8
161.02467	2.8
161.04565	10.5
172.61201	1.0
179.05614	21.5
199.31076	0.9
322.23550	0.9
341.08804	40.1
342.09409	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	341.1089
Annotation	Trehalose
Peak:m/z	Relative Intensity
52.34146	0.9
55.01868	0.9
57.03457	1.1
58.00586	3.3
59.01381	100.0
60.71604	0.9
61.09922	0.8
61.15085	1.0
65.81042	0.9
69.66826	2.1
69.67218	2.9
71.01385	72.8
72.99305	4.5
73.02937	1.4
75.00855	3.0
83.01380	1.5
85.02943	11.1
85.54263	0.9
87.00869	2.7
89.02445	87.1
90.02782	1.4
95.01405	5.9
101.02444	34.8
109.24654	0.9
113.02447	31.6
119.03502	33.5
131.03503	3.9
134.19321	1.0
143.03490	7.8
149.04553	3.4
161.02473	6.1
161.04547	10.0
179.05614	34.9
180.05899	1.8
197.35431	1.0
341.10895	40.6
342.11200	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	339.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35904	0.6
56.30446	0.5
59.01381	100.0
60.01710	1.2
60.97523	0.7
61.98828	1.6
71.01381	3.5
71.60485	1.0
72.99302	0.8
73.01182	2.6
73.02946	0.9
79.95760	2.6
80.96533	0.8
83.01407	0.7
85.02958	1.2
96.96094	0.7
101.02455	2.9
111.92944	1.0
112.93762	1.2
113.02471	1.2
114.05626	2.5
115.00370	1.3
133.01410	0.8
135.04553	0.9
142.99942	3.6
143.90195	0.9
149.02452	4.2
161.01051	2.1
161.04590	2.1
164.04802	2.3
166.20119	0.8
175.02664	0.9
176.03320	1.3
177.03925	1.2
193.08740	1.0
223.06166	4.3
231.97604	0.7
255.03175	0.9
257.42447	0.7
279.14526	3.4
300.02914	1.1
339.09015	0.8
358.11914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.01313	0.5
60.30863	0.5
60.84140	0.5
67.32814	0.5
95.96968	0.5
142.78180	0.5
163.11279	100.0
164.11621	5.7
183.01216	0.8
257.74789	0.5
339.23260	74.1
340.23611	8.2
351.12494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77929	0.4
57.03456	0.6
58.00595	1.3
59.01381	29.1
60.01691	0.4
63.70933	0.4
64.44033	0.5
71.01382	23.1
72.01691	0.5
72.99313	1.4
73.02947	1.2
74.02483	0.6
75.00864	0.8
79.56673	0.4
83.01370	0.9
85.02942	3.8
87.00875	1.9
89.02442	27.6
90.21764	0.5
95.01360	1.1
99.00885	0.9
101.02451	10.6
105.03442	0.6
109.02959	0.5
113.02448	8.2
114.05608	0.6
119.03509	10.0
119.05023	0.9
125.02428	1.0
128.03525	1.8
129.01936	0.6
130.08769	0.6
131.03484	1.4
132.02177	1.3
133.02962	29.1
134.03813	1.2
135.04529	34.9
136.04825	2.3
138.05608	0.6
143.03481	2.6
143.04623	1.8
149.04610	1.2
149.06058	0.7
161.02444	100.0
161.04584	3.1
162.02765	6.1
166.08723	0.6
175.03940	0.6
177.05569	1.0
179.03503	44.4
179.05595	9.2
180.03815	2.7
203.03487	2.4
205.03513	1.3
221.04495	1.2
223.04498	0.6
227.14017	1.1
272.38019	0.5
281.06625	1.4
294.68329	0.5
306.07623	1.4
327.52960	0.5
341.08820	9.7
341.11014	5.3
341.17734	0.7
342.08716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.01289	0.4
52.23965	0.3
57.03450	0.4
59.01381	14.5
71.01385	9.3
71.37821	0.6
72.99307	0.6
73.55207	0.4
85.02960	1.6
87.00879	0.4
89.02444	11.0
89.84266	0.3
95.01368	0.8
101.02440	4.1
104.27248	0.3
113.02465	3.7
119.03516	4.1
131.03513	0.6
132.02156	1.6
133.02957	28.7
134.03357	1.3
135.04535	8.3
143.03525	0.7
149.06114	0.5
149.11899	0.4
161.02441	100.0
162.02783	5.9
177.05585	1.2
179.03499	14.2
179.05580	2.6
180.03841	1.3
182.15695	0.4
188.87105	0.4
190.62665	0.3
203.03499	2.6
221.04524	1.1
246.67259	0.4
251.05571	0.7
281.06662	1.6
301.36182	0.4
341.08401	9.1
342.08871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	Sinapoyl-(S)-malate
Peak:m/z	Relative Intensity
59.01381	6.1
63.14552	1.1
68.99821	4.4
71.01385	27.5
71.60574	1.6
74.02484	1.3
79.93962	62.6
79.95718	1.3
80.94753	2.8
80.96558	1.5
85.02984	1.3
87.00864	3.4
93.03457	4.3
95.01405	4.0
96.02169	1.8
96.99322	6.4
98.00125	2.7
107.46919	1.3
111.04514	1.5
112.03194	1.2
115.00385	13.2
117.03487	1.3
121.02957	14.8
122.99448	25.3
123.43244	1.1
128.03560	2.3
132.02194	3.0
133.01431	7.8
134.03717	2.1
135.04530	17.2
142.99948	2.2
143.04631	4.7
147.04527	5.2
148.04037	4.7
149.02438	75.5
149.04901	2.3
150.02760	3.1
155.03525	5.9
160.01666	1.7
161.01144	2.1
161.02361	6.3
163.04039	1.6
163.06371	3.1
164.04794	54.5
165.05124	3.5
174.01695	1.8
175.02470	4.7
175.03954	2.2
179.04449	1.2
179.07141	3.6
193.01418	1.9
208.03827	6.1
215.05624	20.9
221.17180	1.2
223.06120	100.0
224.06409	7.2
272.08749	2.1
273.09195	1.8
297.09683	1.5
325.09650	1.6
340.11832	7.8
357.79715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0719
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
52.88108	1.3
59.01372	5.8
63.96229	2.5
68.99821	5.1
71.01383	30.8
71.60938	2.4
72.99324	4.0
73.01183	2.8
79.93967	59.4
79.95741	14.6
79.98852	1.5
80.94751	2.0
83.05026	1.9
87.00870	2.4
89.00679	1.9
89.02438	2.6
93.03467	3.9
95.01395	4.2
95.60328	1.5
95.90044	1.6
96.02173	2.7
96.99316	6.0
111.04530	1.6
111.92946	10.5
112.93744	8.5
115.00376	52.0
120.97829	1.5
121.02957	16.5
122.99445	26.5
130.08733	2.7
132.02258	2.0
133.01436	100.0
143.90170	4.5
147.04568	2.6
149.02444	81.7
150.02773	5.2
152.79100	1.6
155.03484	4.6
164.04784	76.4
165.05136	5.0
174.01698	1.9
175.02460	7.1
179.07169	6.2
186.00482	1.5
191.66306	1.7
215.05583	25.0
216.06024	1.7
223.06120	91.1
224.06395	3.4
274.95502	6.6
340.11871	2.8
340.22583	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	339.0872
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
59.01375	9.6
61.98837	6.9
67.85443	4.3
70.66758	14.9
72.60739	4.2
80.05029	4.4
121.02966	66.6
133.02905	6.8
134.03709	15.2
142.99820	6.3
147.04524	92.5
148.04044	18.2
149.06075	7.5
156.41656	4.7
161.02434	27.0
163.06351	9.3
183.01216	25.4
193.10228	38.3
207.08119	5.7
207.11716	11.7
227.76314	4.8
237.14928	8.3
246.22470	4.7
251.07144	15.2
251.10695	23.7
295.09741	68.7
296.10120	9.7
321.20755	7.6
325.09436	10.3
339.08704	100.0
339.16266	28.5
339.19867	8.4
340.08490	10.0
340.12390	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	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03461	1.1
58.00595	3.4
58.02948	1.0
59.01382	86.8
60.01729	1.1
71.01385	47.8
72.51488	0.9
72.99311	3.7
73.02937	2.4
74.02466	1.8
79.95736	1.1
83.01396	2.8
85.02959	11.5
86.02485	1.1
87.00875	2.8
89.02447	42.9
95.01404	4.1
99.00869	1.0
99.05626	1.4
101.02448	32.6
113.02457	18.6
113.99599	0.9
115.00397	1.0
119.03507	22.2
128.03532	4.0
143.03589	1.5
143.04611	5.3
145.74158	0.9
149.04584	1.8
161.04570	1.3
166.02859	1.1
175.09732	1.0
179.05603	2.6
254.07858	2.0
267.22055	1.0
272.08923	3.5
273.99561	0.9
277.05508	1.2
337.07947	5.7
337.15036	100.0
338.15424	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	338.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56500	0.9
56.55983	1.0
59.01379	1.5
60.97499	1.0
61.98815	1.0
63.94464	1.8
63.96228	4.2
71.06149	0.9
71.61931	1.0
74.03003	1.0
76.97020	2.6
78.96822	7.9
79.93953	2.6
79.95741	3.9
81.42944	0.9
94.96319	4.1
128.03615	0.9
137.03049	11.6
142.99878	1.1
152.05396	100.0
153.05754	5.5
184.02600	19.9
194.90005	1.1
224.89917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.7
63.94466	10.5
64.95251	1.4
69.02315	1.1
69.68437	4.7
70.80153	0.8
71.01402	1.0
71.05042	0.9
72.99306	1.6
76.95250	16.7
78.96815	85.9
79.95724	1.0
80.38423	0.8
89.00686	1.0
92.98390	5.7
94.31787	0.7
101.00666	3.5
106.99968	0.9
111.04514	0.9
113.00675	1.3
124.95592	100.0
125.95554	1.1
125.95975	1.1
129.00175	12.4
141.00151	6.5
163.11301	1.1
194.61627	0.8
200.14604	0.7
209.11829	1.3
303.15854	0.9
321.17102	1.4
339.18402	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	339.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
58.26860	0.5
59.01392	1.3
63.94464	26.1
63.96248	1.0
64.95251	80.3
65.95166	0.7
67.01894	0.5
69.50574	2.4
69.50979	1.1
71.01389	2.7
71.75261	0.5
73.02942	4.6
79.95746	1.8
81.03470	0.8
82.28985	0.4
84.35541	0.5
85.02442	0.5
85.02933	2.5
85.26653	0.5
87.04526	8.1
95.01399	4.4
97.06619	0.7
98.20593	1.1
99.04515	0.9
104.98399	0.6
106.06618	1.3
106.99957	100.0
108.00367	1.5
111.00867	0.7
112.93748	1.4
113.02386	0.6
115.04015	30.3
116.04359	0.7
134.06125	7.6
139.03954	0.5
151.04031	0.8
159.04489	0.5
161.02513	0.6
169.05101	1.6
177.03384	1.3
178.05101	4.7
187.06125	5.2
192.06680	1.5
220.06136	1.5
251.07086	0.8
280.07626	0.5
295.09549	0.5
309.07803	0.5
339.01593	0.8
339.05695	14.0
339.09503	1.0
340.05887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71207	0.7
55.01862	1.3
58.00586	3.2
59.01380	71.4
63.75334	0.8
69.46908	6.9
71.01382	44.4
72.01697	1.3
72.99299	3.1
73.02927	1.7
83.01409	1.9
85.02953	7.0
87.00880	2.2
89.02447	46.6
90.02783	1.2
95.01380	3.6
98.19861	1.2
101.02442	28.9
108.63855	0.8
113.02451	18.2
119.03499	25.1
131.03499	1.7
132.79898	0.8
143.03481	3.6
143.04530	1.1
149.04565	1.5
161.04565	1.6
179.05621	2.5
209.40103	1.0
247.08423	0.9
337.07968	2.9
337.15018	100.0
338.15472	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
68.99809	4.3
69.53767	5.1
71.01377	3.8
73.02956	0.9
75.00893	1.1
83.01373	2.0
85.02955	5.7
87.00864	3.6
88.88623	0.7
89.02433	2.1
95.01398	1.5
99.00865	5.1
101.02457	1.7
111.00877	3.2
113.02451	6.9
113.99582	22.1
115.00386	8.9
120.57795	0.7
127.00368	2.9
129.01961	2.6
144.90382	0.7
149.04565	2.6
154.40491	0.7
157.01471	4.8
169.01437	1.4
174.01691	17.0
175.02382	1.3
193.83870	0.7
219.99802	0.7
223.57692	0.7
229.14864	0.7
277.02637	1.3
277.05640	20.8
278.05783	1.4
337.07742	100.0
338.08115	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	337.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87555	0.9
54.30548	1.0
54.55377	1.0
58.02989	0.9
59.01379	100.0
60.01705	1.2
63.96217	1.0
70.35331	3.4
71.01382	3.0
74.02470	1.2
79.93964	3.8
79.95729	2.9
80.96527	1.0
81.93539	1.6
81.95301	1.9
85.02943	1.8
87.00874	5.6
87.02742	1.1
90.98591	11.3
95.93481	1.5
96.96053	1.0
99.00883	2.1
101.02455	2.2
110.02471	1.0
111.00846	1.1
112.98840	1.6
113.02427	1.1
113.99580	3.3
115.00380	1.4
120.01247	1.0
128.03554	5.6
129.01828	1.2
130.66838	0.9
136.51508	1.0
141.66333	1.0
143.04622	4.3
145.06171	1.1
153.09181	7.1
157.05908	1.0
173.00888	1.2
174.01656	2.2
175.02534	1.6
179.00229	5.0
187.07968	7.6
205.09009	3.1
226.98875	1.1
231.06876	1.8
249.07942	1.6
258.07755	1.3
272.08908	3.3
275.09601	4.5
277.05490	1.6
293.10751	2.7
319.08737	2.5
320.05392	1.1
337.07401	14.9
337.13864	2.3
338.06958	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	337.042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
63.94460	3.7
64.95242	1.5
70.99606	1.5
71.01375	0.4
73.01157	1.8
73.02944	0.5
83.04971	0.2
85.02956	0.5
87.04522	1.0
95.01408	0.3
96.95976	0.2
101.93571	0.2
104.98384	100.0
105.80096	0.2
105.98831	1.6
111.04538	0.2
115.04011	2.1
128.10846	1.3
129.00148	0.3
130.08737	10.4
141.00174	0.2
169.16615	0.2
174.43463	0.2
187.06139	0.9
274.24240	0.2
312.62354	0.2
325.04675	0.2
337.04221	2.5
337.07797	0.6
338.19748	4.3
338.23755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
58.02956	1.0
59.01374	2.2
63.94463	5.0
63.96191	0.3
64.44817	0.4
64.95227	2.3
68.98264	0.3
70.99613	1.5
71.01380	30.3
71.10057	0.8
72.00913	0.9
72.01718	0.7
73.01171	9.7
73.02948	1.5
74.99101	0.7
79.93974	0.6
81.03439	1.1
83.01342	0.4
85.02956	12.2
85.03449	0.8
87.00874	1.5
87.04514	19.3
89.02437	0.6
98.06110	1.1
99.00861	0.4
99.04559	2.2
99.05647	2.8
101.02418	0.8
104.98384	100.0
105.98798	1.7
111.00874	0.7
112.98807	1.2
113.02446	1.2
115.00364	1.4
115.04012	2.0
118.06664	0.6
127.04025	1.8
135.02963	0.4
141.05580	1.2
141.06715	3.7
143.03479	0.6
143.04610	0.3
147.04529	3.2
147.05962	0.8
153.01923	0.5
159.06613	5.0
163.78914	0.4
164.07161	10.4
165.07445	0.5
171.01215	0.5
171.03049	0.4
172.04422	1.2
174.01691	0.4
183.99570	0.4
184.99133	0.9
189.07010	3.6
203.00267	0.7
203.11877	0.8
227.86441	0.4
245.12929	0.8
251.12245	0.5
255.62080	0.4
277.05600	0.6
284.88541	0.4
293.13351	0.9
295.11209	0.7
299.26828	0.4
337.04175	3.9
337.07864	3.6
337.12332	12.6
337.16147	0.7
338.12543	1.1
358.18924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38047	0.8
70.00300	1.5
70.00681	1.9
78.95896	3.6
84.78906	0.7
96.96011	7.7
98.19849	1.0
104.40785	0.6
110.78956	0.8
117.09818	0.7
118.35290	0.7
131.72845	0.9
133.04042	0.7
134.96082	19.1
135.96167	1.3
136.94009	85.3
137.94078	5.5
148.07521	0.9
149.67754	0.8
151.92729	5.6
152.91766	34.2
167.90457	3.0
178.95061	100.0
179.95183	7.7
194.92807	51.3
196.96144	1.0
208.93843	1.4
210.90814	2.2
212.93861	4.4
225.90276	1.1
235.04251	0.8
247.87114	9.6
248.37170	5.2
248.87115	4.3
250.94562	2.6
252.92067	3.2
256.87671	8.0
274.88742	24.7
275.88760	4.5
276.86682	1.4
287.85028	13.8
287.88046	1.4
288.35025	7.0
288.84991	6.4
292.95007	8.4
294.85107	0.8
294.92944	21.9
295.93079	3.0
316.33337	1.2
316.84113	2.3
336.83539	6.5
336.93976	75.4
337.83600	1.5
337.94199	8.3
338.01056	0.8
354.84879	9.2
355.84622	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93628	1.3
59.01376	17.4
59.09260	1.3
61.98817	4.2
62.85912	1.4
63.96231	3.5
69.03464	2.7
70.99599	27.3
71.01378	8.7
71.68405	1.3
72.99313	23.4
73.02935	2.3
74.99084	1.8
76.97024	1.7
78.95907	6.7
83.01404	2.4
85.02950	3.2
86.99123	2.0
87.00889	14.0
89.00668	100.0
89.02449	4.5
90.01016	1.8
90.97134	3.0
97.02925	2.0
99.00858	2.7
101.02435	3.4
112.00425	2.2
112.98800	4.5
113.02422	3.7
115.02208	1.4
116.98697	3.2
117.01938	3.3
132.98209	10.9
135.98347	2.8
136.92267	3.3
142.96602	6.2
148.95906	4.6
151.90982	3.0
152.91772	2.3
154.99895	2.6
158.99773	14.7
159.01080	2.5
160.97667	2.7
169.01405	1.7
170.99690	3.4
172.97673	11.9
173.00876	3.6
173.08238	2.1
174.97946	1.8
174.99297	24.7
177.02267	34.4
178.96985	13.1
180.00862	1.6
182.99771	3.3
184.97658	12.0
185.01259	8.3
186.97270	1.6
187.04349	2.0
188.97092	4.1
189.97966	12.2
192.95799	3.1
192.97496	1.8
201.00916	1.7
202.98738	11.8
204.98517	8.5
213.00894	3.1
227.02386	4.9
228.96738	7.3
228.98685	1.8
231.00064	55.7
232.00414	2.5
234.95953	21.8
239.51788	1.4
244.99753	16.2
246.99585	31.2
274.98987	33.0
292.09653	2.3
335.01041	7.2
335.07779	3.4
335.13486	4.6
336.13235	1.5
336.16882	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	333.0595
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
62.34145	0.3
68.41766	0.3
70.31834	1.1
70.32218	0.7
78.95903	95.2
80.43736	0.3
96.96965	17.2
98.19791	0.4
118.21283	0.3
150.98045	1.1
152.99585	76.4
153.99924	1.0
171.00635	8.7
202.59818	0.3
223.00082	1.0
241.01180	39.1
242.01501	1.4
259.02167	2.5
333.05902	100.0
334.06216	7.4
356.49939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.5
61.98832	100.0
64.31845	1.0
71.01378	4.0
71.59846	1.5
72.99306	1.5
73.02950	1.2
74.02484	2.0
78.95915	7.7
83.01373	1.3
85.02960	1.5
89.02422	2.7
95.01321	1.1
96.96971	1.1
97.02933	1.1
101.02396	1.6
108.85483	1.2
110.02522	1.2
113.03584	1.9
114.79066	1.4
119.03547	1.5
126.71412	1.1
128.13963	1.1
130.56659	1.0
152.99591	2.6
173.08275	1.2
194.33035	1.1
196.64296	1.0
226.15593	1.8
244.67873	1.3
292.01810	2.6
308.82333	1.4
315.94778	1.9
334.06226	5.5
334.14355	2.6
335.13394	4.2
342.58090	1.3
346.17633	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	334.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65955	3.6
59.01392	4.6
60.97520	4.8
61.21813	3.7
63.96246	29.7
69.37227	4.4
71.60868	7.5
73.01188	19.0
75.02723	4.8
75.49650	4.2
76.97037	26.0
79.41237	4.0
79.95731	25.8
80.96518	5.3
81.96935	3.8
103.68108	3.4
104.98409	6.4
106.70700	3.7
137.03072	12.0
138.03847	6.1
152.05396	100.0
153.05646	5.1
174.01709	44.9
325.97467	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	332.9785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.6
59.72906	0.4
64.95235	0.7
69.31696	3.9
73.01168	10.3
79.93963	10.0
79.95737	100.0
80.96512	5.5
95.75783	0.4
98.20657	0.9
104.98384	6.2
107.40369	0.4
111.92952	0.5
112.93738	4.8
114.13811	0.4
120.97869	0.6
143.90150	51.0
144.84950	0.4
144.90962	7.0
184.94092	0.7
192.97121	0.4
226.14801	0.4
269.01627	0.9
301.19431	0.5
332.97821	13.8
333.98105	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2489
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
51.09095	0.4
51.98895	0.5
52.15243	0.3
59.01371	0.5
64.58028	0.4
70.92819	0.7
73.01166	1.0
82.41390	0.4
95.93417	0.4
125.09711	1.3
127.10461	0.5
127.11302	5.6
130.08701	0.5
134.33430	0.4
136.95538	0.5
143.10739	0.6
155.10776	2.0
156.11058	0.4
157.12349	4.0
171.10251	2.3
187.13397	0.6
199.60764	0.4
201.11346	1.2
270.18134	0.5
295.22800	1.7
311.22122	1.1
313.23837	6.8
314.24091	0.8
329.05215	0.4
329.23428	4.8
331.24887	100.0
332.25250	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	332.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50254	1.5
55.60854	1.3
60.97533	8.2
61.98848	1.7
63.96240	33.8
65.17470	1.5
71.61206	3.0
73.01175	47.4
76.97031	24.7
79.95744	27.6
80.96539	2.0
89.00668	1.9
134.99396	1.7
137.03029	13.3
138.03777	2.2
152.05396	100.0
153.05702	4.4
224.79378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46651	2.5
51.55996	3.0
59.01384	2.5
60.97531	20.9
63.96241	94.5
64.95266	4.0
70.25438	2.6
71.61071	2.3
73.01196	3.1
76.97033	69.9
79.95741	100.0
80.96519	12.2
95.93456	8.8
96.94260	5.1
104.98373	8.2
105.00168	5.3
111.92940	3.5
114.01472	5.8
125.03108	3.1
129.03822	40.3
143.90120	7.4
285.03848	3.9
305.90298	3.2
314.97870	3.8
332.97946	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	331.1765
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01881	4.7
57.03444	3.4
58.00595	2.6
59.01382	47.6
67.01865	1.2
69.56367	2.8
69.56792	2.8
70.75750	0.8
71.01387	100.0
72.01725	1.6
72.99313	3.4
73.01152	0.8
73.02953	25.3
75.00887	1.5
79.95752	2.7
80.96536	1.4
82.53462	0.9
83.01398	12.1
83.05038	1.0
85.02960	37.0
86.00095	1.8
86.03298	1.2
87.00881	14.2
89.00670	1.2
89.02448	29.5
95.01400	6.5
97.02959	1.9
98.19846	1.0
99.00880	10.5
101.02447	64.0
102.02801	2.2
104.98373	0.7
108.50595	0.9
113.02456	38.9
119.03519	11.1
120.99693	1.3
125.02404	1.4
126.52874	0.8
129.01950	2.2
131.03519	18.2
139.00438	1.1
143.03511	3.9
147.04869	1.6
151.11255	3.9
159.02995	7.9
161.04565	39.1
162.04904	1.8
179.05623	1.2
205.03380	1.2
221.06677	18.7
221.08730	1.3
248.13315	0.9
271.89142	0.9
331.12427	1.3
331.17755	2.3
331.25165	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	331.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	4.3
59.01395	10.1
60.50721	1.4
63.25560	1.4
68.74064	1.7
69.80248	1.5
70.99621	2.1
71.01386	8.4
73.01175	13.3
74.02482	26.0
75.00876	3.3
78.73622	1.6
79.95744	54.5
80.96533	13.5
85.02971	11.2
87.05648	2.1
89.00674	8.0
93.03489	1.8
95.01385	2.7
98.02525	2.0
99.00863	2.8
99.05650	10.5
101.02447	2.8
104.03525	4.2
112.93721	5.0
113.02478	7.4
116.07182	7.6
124.07706	2.1
126.05548	2.1
128.03464	1.6
129.10356	9.0
130.08746	3.7
131.04671	2.9
138.05627	2.0
143.04643	23.9
143.11906	3.5
151.00305	2.3
151.07664	2.0
152.07202	11.7
152.96877	100.0
153.07388	1.9
153.97018	2.1
154.99826	2.1
155.11888	4.5
161.02423	6.4
162.76497	1.5
171.15027	2.0
177.03409	36.2
201.10611	1.8
208.53114	1.5
213.08913	2.1
225.16049	4.7
227.03485	5.4
229.04948	2.2
230.03284	4.4
243.17033	2.2
255.03120	9.5
256.20331	3.4
256.98932	2.5
268.20319	4.2
281.30658	1.5
283.02509	1.9
284.03247	13.0
285.04111	22.6
295.12921	6.1
296.13193	4.3
300.19284	8.7
301.19534	3.6
312.15631	2.5
313.15948	2.7
330.20432	9.5
331.01016	41.9
331.13828	1.6
331.17172	2.3
331.20648	4.1
332.01239	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	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.77123	0.7
57.03453	5.8
59.01395	3.4
61.98845	0.9
65.00323	6.0
68.99822	0.9
70.02983	1.3
71.01363	3.8
71.59952	1.0
73.02930	1.1
73.04051	0.7
74.02472	7.3
78.95903	1.2
81.03450	2.7
83.01392	17.4
85.02965	1.2
87.00871	2.5
87.05641	6.5
88.04016	0.9
88.75600	0.7
93.03462	0.9
94.03001	3.5
95.01375	1.0
96.00928	1.6
96.04556	3.3
97.02944	1.7
107.01385	11.1
108.02190	2.3
109.02967	0.8
110.02495	2.2
113.02393	1.6
113.03595	1.0
114.01963	1.9
115.00368	1.2
121.02953	1.1
122.02451	1.5
122.03721	2.6
123.00902	0.9
124.00375	0.9
124.01678	2.1
124.04135	1.6
125.02451	56.3
126.02807	2.4
127.05119	0.9
129.10352	3.8
131.01372	1.7
133.05078	14.2
137.02486	1.1
138.05620	0.9
143.11919	0.8
149.02454	2.3
149.99632	1.0
150.05617	0.7
151.00374	64.3
151.99875	3.0
152.00876	1.5
152.03522	2.0
159.52641	0.7
161.04561	0.8
165.01903	1.7
166.05086	0.7
167.03510	1.5
168.00702	3.5
169.01431	32.5
170.01779	1.3
172.97789	0.9
173.09319	0.8
174.99194	0.8
175.00397	8.2
177.03319	0.8
186.12509	4.4
193.01422	7.9
198.04050	2.7
205.01445	1.0
211.02463	2.7
216.13498	1.6
223.02380	1.7
226.11986	1.0
227.03590	0.8
255.03104	1.0
260.38528	0.7
285.04004	1.1
287.13760	1.1
301.15170	9.2
313.15332	1.2
331.06708	100.0
331.16016	10.4
332.07040	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	331.1034
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01369	2.0
65.19755	0.4
66.06133	0.4
68.99825	1.0
69.82739	2.0
71.01374	2.9
71.34561	0.4
72.99304	0.5
73.02951	0.7
73.04073	0.9
74.02451	0.6
75.00871	0.5
83.01407	0.8
84.00920	3.5
85.02952	4.1
87.00870	1.0
88.04034	1.6
95.01367	0.5
95.77070	0.5
97.02992	0.5
99.00871	1.4
99.92617	0.5
101.02450	1.3
103.05120	0.6
103.92014	0.5
109.01704	0.4
110.00093	5.5
113.02441	4.9
114.01978	0.6
123.00928	0.5
124.01669	1.3
125.02451	7.6
126.01999	0.7
126.05614	1.0
127.05174	0.7
128.03546	0.5
129.01875	0.5
130.08725	1.5
135.05647	0.5
136.01585	0.5
137.02426	0.7
137.19963	0.4
137.99583	8.9
139.00386	2.5
143.11893	0.9
151.00377	1.4
152.01137	3.7
153.01936	100.0
154.02594	4.5
155.03520	2.1
161.04550	1.3
166.02736	1.1
166.12561	0.4
167.03502	11.1
168.04274	52.7
169.01466	2.0
169.05031	9.2
169.06294	0.6
170.05316	0.6
175.02531	0.7
179.03481	0.9
181.05099	0.8
183.07877	0.5
184.07239	0.5
191.03563	0.7
194.02132	0.5
200.14058	0.5
209.04570	1.2
210.07678	0.7
211.07285	1.0
227.03549	0.7
230.03360	0.5
252.07643	0.5
255.02968	2.5
267.09882	1.3
284.03317	2.8
284.06042	0.5
284.12439	0.6
285.04010	3.7
299.16534	0.5
306.26868	0.5
314.13519	0.8
331.10272	4.6
331.16528	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	330.9807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08905	0.6
60.97533	1.1
64.70731	0.5
70.03991	0.5
70.99635	0.8
73.01171	2.0
79.01352	0.6
79.95741	100.0
80.37979	0.5
80.96522	36.5
83.77795	0.5
89.00661	2.1
96.96039	0.7
98.19731	0.9
102.68912	0.5
111.92966	1.4
112.93741	2.7
113.02460	0.6
113.04291	0.5
115.02209	0.7
120.99679	1.0
130.99950	0.6
142.99944	8.0
144.00519	0.6
152.96863	11.5
158.99446	3.7
161.00984	1.8
223.96417	1.4
224.97253	1.3
225.99776	1.0
228.87779	0.6
240.96686	20.0
241.97389	3.8
249.00784	1.4
254.88107	0.5
255.03058	0.9
284.03223	1.1
284.28369	0.6
285.03989	1.7
298.02655	0.6
330.98123	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	330.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07479	2.5
52.10884	2.4
57.78547	2.8
58.00582	4.6
59.01132	2.2
59.01382	17.3
61.98804	2.8
69.80450	7.5
69.80859	6.8
70.02982	27.8
71.01393	17.9
72.00919	7.2
72.52413	2.5
72.99310	3.7
73.02934	5.2
86.02486	36.3
88.04057	23.7
98.19960	4.9
100.04055	6.2
109.28698	2.1
115.49284	2.4
119.16784	2.3
211.20650	15.0
239.20096	6.9
241.21721	100.0
242.22050	7.2
253.21701	4.0
264.23221	4.6
285.20779	6.1
312.25458	2.9
331.15436	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	330.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85708	0.7
67.14448	0.7
72.00910	3.1
74.02475	100.0
75.02798	0.9
82.84834	0.7
84.28938	0.7
86.02488	0.9
86.72803	0.8
120.88386	0.8
141.96361	0.8
225.22200	4.6
250.25494	1.2
255.23306	2.4
312.25430	1.5
330.26508	29.6
331.26898	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.9629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32413	1.3
58.27499	1.2
59.01372	2.9
63.94456	4.9
63.96246	1.6
64.95249	79.3
70.99595	2.5
71.61829	2.0
71.62205	1.2
73.01173	94.5
79.93976	2.1
80.96520	4.7
87.99921	1.6
90.19174	1.2
93.19061	1.4
95.93471	8.3
99.02749	23.5
102.96832	2.1
104.98387	100.0
124.69422	1.2
127.02221	8.7
135.94803	2.5
136.95616	3.1
142.99918	5.7
155.31885	1.2
158.99440	14.9
163.02573	1.5
168.94586	2.1
200.91763	2.1
205.62891	1.2
210.17172	1.3
228.88428	1.5
269.19131	1.4
323.86066	1.4
330.96307	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	330.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33272	0.6
56.25565	0.6
57.01981	0.7
59.01382	2.1
59.22023	0.6
60.97437	0.5
61.67022	0.6
69.38625	0.7
69.52096	5.0
71.01382	1.0
73.01201	0.7
73.04072	7.0
74.02477	1.7
79.95734	2.6
80.05082	0.6
80.96519	0.9
83.02520	1.6
83.05041	0.9
85.02964	0.9
95.93520	0.8
96.95986	0.6
103.05157	1.2
114.09238	1.0
116.27315	0.6
120.48289	0.7
125.02427	1.3
129.10384	1.5
130.08745	100.0
131.09090	3.6
138.09341	0.7
139.08772	4.0
140.07193	6.7
141.10341	4.3
143.11899	3.3
169.09845	7.6
181.09875	0.8
182.15462	1.5
197.16675	0.7
199.10912	9.5
199.18167	37.2
200.18527	1.6
209.88722	0.8
212.88721	0.6
243.17108	2.0
256.20340	16.2
269.11572	0.9
287.15158	1.4
300.19293	16.5
301.19659	1.6
312.19327	2.3
313.16690	1.1
330.20325	84.5
330.97971	0.8
331.17459	2.6
331.20685	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	330.2032
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
59.01376	1.6
69.03481	0.9
69.42604	1.1
69.43015	3.5
71.01389	1.1
73.04064	5.7
74.02479	1.1
78.30782	0.6
79.95741	3.3
80.96521	1.5
83.02529	0.8
96.96019	1.0
97.02979	0.7
103.05137	1.0
109.40490	0.5
111.02035	0.6
111.04503	0.8
112.62360	0.6
113.06084	0.6
114.09263	0.6
120.01309	0.6
121.25211	0.5
125.10825	0.9
129.10356	1.9
130.08743	100.0
131.09088	2.2
139.08749	4.3
140.07184	5.5
141.10350	3.3
143.11903	5.2
147.65912	0.6
164.38301	0.5
168.11436	0.8
169.09833	8.9
181.09831	1.4
182.08261	1.0
182.15378	0.6
186.12506	1.3
198.12561	0.5
199.10886	9.2
199.18161	31.3
200.18475	2.1
233.92186	0.5
243.17140	2.3
256.20309	15.8
257.13962	2.2
257.20572	1.1
269.11496	0.6
287.10306	1.1
287.15106	1.4
300.19290	18.3
301.19623	1.8
312.19308	1.8
313.16614	1.6
330.20331	77.1
331.17203	4.0
331.20956	6.6
349.35629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
68.99817	31.4
69.36731	1.4
69.37142	2.9
70.00139	0.8
71.01371	0.9
79.95727	1.0
89.02477	0.5
96.99298	2.0
98.00092	2.4
98.19866	0.7
99.00883	11.8
124.02268	0.9
125.03054	21.9
125.79086	0.5
126.03797	0.8
129.99066	1.0
138.03827	5.0
152.01747	1.8
163.07629	0.5
164.01747	0.9
166.03331	10.9
167.04112	0.5
178.03406	0.8
180.01225	1.9
194.02769	1.1
195.03583	53.4
196.03856	2.9
223.03078	6.7
224.03857	1.5
245.01241	0.5
247.62956	0.4
255.02022	6.3
256.02396	0.7
270.02655	3.1
283.05185	100.0
284.05652	11.1
330.04742	41.7
331.05096	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10-Dihydroxy-12,13-epoxyoctadecanoate
Peak:m/z	Relative Intensity
57.03450	0.9
58.00581	0.6
59.01386	2.4
71.10194	1.2
73.01172	6.9
73.02927	0.8
83.05009	0.7
84.13791	0.5
85.02931	0.5
87.61156	0.5
97.06522	0.7
99.08176	2.8
104.87247	0.5
104.98393	1.9
123.08119	0.7
125.09737	4.5
127.11295	7.6
137.09715	1.0
139.11267	2.4
142.99930	0.9
153.09248	0.7
155.10728	1.5
155.14473	0.5
157.12347	1.0
165.09184	1.6
168.98109	0.8
171.10283	11.4
172.10626	0.8
183.10187	1.1
183.13885	2.5
185.52237	0.5
193.12393	1.2
199.09775	1.7
199.13535	0.6
201.11310	30.5
202.11664	2.2
211.13385	12.0
212.13808	0.5
229.14426	6.4
293.21213	2.6
311.22256	2.6
312.22073	0.6
329.23312	100.0
330.23672	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	329.2334
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
58.00599	0.8
59.01374	2.8
67.01161	0.8
69.89091	3.7
73.01185	2.0
77.13308	0.8
90.54948	0.7
98.20576	1.0
99.92546	1.0
101.66941	0.7
106.73671	0.7
121.75290	0.8
134.89915	0.7
135.04510	0.8
140.77188	0.7
153.12784	1.6
155.14471	3.9
171.10303	0.9
183.13943	5.4
185.15379	0.8
199.11632	1.0
199.13383	6.8
211.13347	5.9
227.12837	2.4
229.14436	100.0
230.14789	6.2
293.21112	1.0
311.22324	9.7
312.22525	1.3
329.10269	0.9
329.23453	7.3
330.23584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16315	0.7
59.01385	1.3
62.95580	0.8
63.01263	0.7
65.99839	1.5
66.03479	3.2
67.01882	1.7
68.01418	6.5
68.99815	14.1
70.02983	1.9
70.43801	2.0
70.44192	1.7
71.01385	1.9
82.02967	3.9
83.00134	0.9
83.01380	3.4
84.00913	2.8
85.38116	0.9
86.51254	0.8
87.00876	15.3
89.78841	0.8
94.02997	4.7
96.00904	3.8
96.04574	4.3
96.99313	10.3
97.02970	1.0
98.02490	1.9
99.00896	9.1
106.02999	0.7
110.02487	8.1
112.00418	14.4
112.04061	1.7
113.02470	0.7
122.02451	3.9
122.06105	2.0
124.00410	17.3
124.04050	4.7
125.01211	1.1
126.01984	7.5
126.62451	0.8
127.00347	5.2
138.01971	14.1
140.03549	9.3
150.05588	5.1
151.99933	2.3
152.03510	2.3
154.01440	0.8
157.01422	3.7
159.02997	4.3
166.01436	3.4
168.03012	25.5
169.03395	0.9
184.02498	11.7
186.04070	17.2
193.01450	1.2
196.02512	4.1
198.04037	7.1
210.00462	1.4
211.02361	1.3
226.03557	7.7
230.03084	1.8
242.03131	4.7
242.05315	1.0
270.02545	27.9
271.02838	2.3
312.10712	2.7
330.04657	100.0
330.11777	2.6
331.04987	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	329.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58872	100.0
69.59282	74.0
76.04703	22.5
76.44667	24.9
76.86719	24.0
83.88860	21.9
88.03876	22.8
98.20602	47.0
143.42810	28.9
149.04468	77.6
150.02295	70.2
155.61079	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03412	1.2
58.00585	3.0
59.01381	100.0
60.01706	2.1
71.01383	55.9
72.99319	4.2
73.02945	1.3
83.01373	3.0
85.02951	11.1
87.00890	2.7
89.02446	63.0
91.85646	0.9
95.01389	3.3
101.02450	30.0
113.02460	20.5
114.02799	0.9
119.03505	28.1
125.02364	1.0
131.03500	1.7
134.03737	20.8
143.03503	2.4
149.04680	1.1
149.06087	22.1
150.06468	1.6
152.04797	1.9
161.04579	1.4
167.07094	2.4
169.28406	1.0
179.05586	2.5
218.89757	0.8
265.34763	0.9
329.12231	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
65.05063	0.7
70.99589	1.4
71.01381	11.1
71.60703	1.0
73.02959	1.9
79.95775	0.8
80.96516	1.7
82.06560	0.9
83.01402	1.3
85.02959	5.2
89.02457	4.6
95.01379	1.3
96.00903	1.3
99.00867	1.4
101.02450	7.5
108.02162	2.9
111.02757	1.0
113.02438	3.4
116.07144	1.1
119.03498	1.7
123.04520	1.8
130.08746	7.4
134.03722	1.7
142.10443	0.9
142.92694	1.0
143.03470	1.1
143.11908	1.5
149.06029	1.3
152.01135	2.0
153.01900	1.0
155.08308	1.0
159.03043	1.5
161.04565	4.9
161.36946	1.1
167.03491	12.2
259.21088	0.8
269.10260	3.9
286.17661	4.9
295.12909	1.0
312.15759	1.3
329.12469	1.2
329.22498	1.0
330.20349	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01373	2.0
60.34454	0.4
71.01395	2.8
71.15722	1.3
74.02470	0.7
78.95899	0.9
78.96792	0.7
83.01404	0.6
87.00881	0.6
88.04049	6.3
89.02469	0.7
95.01379	0.8
96.73599	0.6
96.99249	0.6
108.02176	58.9
109.02509	1.8
109.09299	0.5
116.07116	0.8
122.03741	1.4
123.04529	25.3
124.04855	1.0
127.05156	0.6
128.03491	1.0
129.10316	1.0
130.08719	1.3
140.07217	0.8
152.01154	41.5
153.01555	1.8
154.66051	0.5
155.08224	0.5
157.13425	0.8
167.03493	100.0
168.03874	5.1
173.09276	0.9
180.10301	1.7
201.12407	0.5
204.12787	0.6
223.10681	0.6
241.12007	0.6
256.13000	1.2
312.15625	1.4
328.99960	0.6
329.08731	1.8
329.18314	2.1
330.16617	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	329.1031
Annotation	2'-Hydroxymatteucinol
Peak:m/z	Relative Intensity
50.47828	0.3
54.01982	0.3
59.01373	0.7
60.42098	0.3
63.03105	0.3
63.46081	0.3
68.42467	0.3
69.20033	0.2
69.88012	1.6
72.66681	0.3
83.01404	0.4
88.69399	0.3
89.03971	0.4
90.90085	0.3
91.05561	0.5
93.03470	1.7
95.05029	0.7
96.96001	0.5
101.02496	0.3
105.03489	0.4
106.04249	5.2
107.05032	27.5
108.02167	1.1
108.05376	1.0
117.03472	1.8
119.05031	0.3
121.02975	0.7
123.04565	2.1
126.99892	0.3
129.13290	0.3
132.02168	1.8
133.02950	4.9
134.03745	23.0
135.04527	100.0
136.04866	4.6
136.30156	0.3
137.02414	1.4
138.03235	0.4
148.05301	0.9
149.06075	3.5
150.03148	0.3
160.01662	5.8
161.02191	0.3
175.03975	2.7
178.02692	3.6
179.03510	1.0
183.13934	0.3
193.05057	26.0
194.05444	1.5
211.13396	0.3
273.00430	0.3
314.08078	0.4
329.10312	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
61.98848	0.7
69.76050	1.2
69.76454	2.3
71.01379	7.6
73.01160	0.5
73.02942	2.4
78.95930	0.4
79.95737	0.4
85.02958	3.0
85.83559	0.5
90.50589	0.5
90.69648	0.4
95.01399	0.9
96.96941	0.8
97.02956	0.5
98.19899	0.5
99.00874	1.4
99.04502	0.6
101.02438	6.2
108.02172	1.4
109.02967	2.1
112.98846	0.8
113.02460	3.8
120.87241	0.4
121.02982	2.0
121.06611	0.5
122.03739	100.0
123.04608	11.2
135.04535	1.6
137.02455	1.1
137.06070	0.8
142.99817	0.9
143.03525	0.8
147.04532	0.9
149.06032	0.8
152.96838	1.0
154.96408	2.5
159.02982	1.5
161.04572	10.4
165.05574	5.4
167.03455	0.6
177.05568	1.9
254.11496	0.5
285.09818	1.8
291.66461	0.5
328.98187	2.8
329.08682	3.7
329.18362	0.6
330.16687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60625	2.6
51.20527	3.2
59.01378	11.1
59.86951	2.7
61.66294	2.9
61.98518	5.5
61.98831	100.0
71.01379	13.0
71.59612	4.0
73.01180	5.1
79.95754	11.0
80.96507	6.4
87.00871	4.6
88.04043	3.1
89.00639	3.8
101.02422	2.6
108.02190	5.3
112.98833	3.0
113.02493	3.9
115.00387	16.9
122.03751	23.8
123.04521	6.7
128.03537	5.6
134.04704	3.9
152.96877	41.0
154.96443	12.0
167.03481	9.8
169.77266	3.3
172.19241	3.7
174.95239	2.6
175.02477	28.9
183.11330	3.4
201.12477	3.3
328.47913	3.0
328.98361	14.1
329.09128	2.8
329.18250	4.3
330.16669	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	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01378	3.9
69.56348	5.0
71.01386	1.9
79.05509	0.7
81.03453	7.7
83.01386	5.1
89.02465	1.4
93.03466	2.2
95.01427	0.9
95.05023	13.9
97.02956	3.9
99.04533	4.7
113.02428	1.4
121.02949	1.2
122.03721	1.7
123.04526	18.1
125.02449	16.0
137.02461	3.7
137.06088	15.3
138.06340	0.7
139.04050	3.4
149.02402	0.7
149.06012	0.8
151.00392	1.5
155.03455	1.1
165.01961	1.1
165.05542	4.0
167.03500	48.9
168.03809	0.8
179.03465	7.5
181.05049	3.2
186.79669	0.6
191.03595	0.7
193.01437	0.7
193.05008	2.4
197.04526	1.4
206.02255	1.0
209.04547	100.0
210.04880	5.1
221.04590	3.3
239.05598	21.3
240.05997	1.9
251.05640	1.3
311.07556	1.0
329.08771	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	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
54.96238	2.8
55.65278	2.9
59.01095	5.9
59.01381	100.0
70.92127	6.5
157.71797	3.0
168.09186	3.1
185.00708	6.9
185.97583	3.1
314.43533	3.6
327.18314	13.4
327.22043	2.9
327.29037	88.1
328.29346	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	329.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.3
60.01715	0.6
61.98829	2.7
63.74816	0.6
65.00018	0.5
71.01362	0.7
71.59103	0.7
74.99374	1.9
77.66055	0.5
82.99369	0.6
83.30672	0.5
87.00874	1.8
106.63937	0.5
108.33171	0.6
114.98859	1.4
115.02501	2.6
117.00450	12.5
118.00550	0.7
125.00932	1.5
126.98891	2.8
132.37689	0.5
143.01987	1.3
144.99922	0.7
146.67584	0.6
157.03568	0.7
157.62569	0.5
159.01495	62.5
160.01613	5.2
168.99937	9.9
170.97867	21.8
171.01414	1.1
171.98015	1.3
187.00986	100.0
188.00681	8.7
190.97208	1.1
201.02550	14.5
217.00549	1.1
232.98285	3.0
241.00696	1.1
256.98300	0.9
259.01645	1.1
274.99359	10.1
275.99463	0.9
287.01074	1.0
311.01089	2.3
328.96988	3.2
329.02130	3.1
330.02298	0.6
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
55.01881	0.4
57.03450	3.4
59.01374	0.6
65.48613	0.3
69.03455	2.7
69.65446	0.6
69.65852	1.5
71.01391	0.9
71.05015	0.6
81.03457	0.6
83.05009	0.9
84.02180	0.7
85.02950	11.1
95.05032	0.8
97.02926	1.6
97.06595	4.1
98.33975	0.3
100.27652	0.3
119.08665	0.5
125.09715	1.8
127.11300	2.6
137.09735	2.4
141.09134	0.4
155.10736	0.9
155.14388	0.6
165.12782	1.1
167.10751	0.5
167.14371	0.7
171.10262	25.2
172.10664	1.8
177.12866	1.2
181.12332	0.4
183.13873	3.6
185.11801	1.4
193.12308	1.3
197.11769	1.0
201.11255	1.5
202.17528	0.3
203.10736	0.7
209.11803	1.5
211.13377	18.3
212.13745	1.3
221.11835	3.3
227.12939	0.4
229.14432	11.1
230.14833	0.8
239.12866	2.1
290.45993	0.4
291.19620	3.5
309.20691	1.4
327.21756	100.0
328.22092	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.254
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01380	7.4
60.80512	2.4
63.25420	2.3
69.82049	10.2
81.03470	3.2
83.05025	19.8
88.21341	2.7
91.03999	3.6
99.87965	2.3
113.82317	2.4
185.00766	6.3
189.35934	3.4
217.52994	2.9
235.20679	27.6
253.21724	100.0
253.24400	5.2
254.22055	7.2
327.18225	21.8
327.28967	3.6
348.13596	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	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03434	2.5
59.01365	2.3
63.94448	1.3
64.95249	4.3
67.80844	0.6
68.99823	5.4
69.03460	1.9
70.13605	1.2
70.14005	1.3
71.01390	4.0
73.01156	1.2
78.96814	3.5
79.95739	0.6
83.01379	0.9
83.05028	4.6
84.25533	0.6
85.02948	6.7
87.00880	4.0
89.00647	0.9
93.03444	4.2
95.01385	6.0
95.05014	1.3
96.02187	3.4
96.96045	0.6
96.99310	6.2
97.02930	0.6
97.06599	5.7
98.00105	3.5
99.00883	1.0
99.04495	0.7
101.00661	3.4
110.94032	3.3
111.04510	2.0
115.00376	10.6
115.02225	2.7
119.01720	1.6
125.09682	1.7
127.11275	1.7
127.54115	0.7
129.00157	1.1
129.99072	0.8
134.03703	0.9
135.04539	3.6
137.05066	0.6
137.09770	1.1
143.01697	1.3
147.04553	1.2
148.05301	4.8
150.68297	0.7
155.03496	6.1
155.10739	1.0
155.14487	0.8
159.01250	0.6
161.00925	0.7
161.02304	0.8
162.60721	0.6
163.11299	0.7
165.12854	1.2
167.14348	1.8
171.10272	12.2
174.01695	18.0
175.02477	18.6
175.04065	0.7
177.04137	0.7
177.12878	1.1
178.05109	3.3
181.12405	0.8
183.13892	5.9
184.98538	0.7
185.11835	2.3
187.00703	0.7
190.05110	1.7
193.12308	2.0
203.10699	1.0
209.11844	2.1
211.13382	21.3
212.13719	1.3
215.05605	21.3
216.05901	0.9
219.03662	0.6
220.88193	0.6
221.11800	3.8
228.50478	0.6
229.14432	16.4
230.14799	0.9
239.12904	2.8
247.02795	12.4
247.20882	0.7
248.03137	0.9
254.61549	0.7
263.06094	0.8
291.19608	3.6
309.20795	2.1
327.00494	3.0
327.10953	1.6
327.21756	100.0
328.12061	2.9
328.22061	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Androsin
Peak:m/z	Relative Intensity
51.93491	0.7
55.01883	1.4
57.03447	0.9
58.00604	1.5
59.01383	39.0
69.57715	4.7
71.01386	17.3
72.99322	2.7
73.02959	1.2
83.01408	1.4
85.02943	4.4
89.02453	17.1
95.01397	1.8
101.02448	12.3
103.05537	1.4
110.81540	0.8
113.02442	5.6
119.03522	8.6
119.04994	4.0
123.02520	0.6
147.04533	100.0
148.04857	4.9
149.06026	0.7
153.33739	0.6
161.04559	0.7
165.05577	13.7
166.05783	0.9
179.05597	0.9
195.78816	0.7
244.03429	0.6
271.47684	0.7
279.78534	0.8
298.98572	0.7
327.10864	55.1
328.11240	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	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
56.27166	0.7
58.00594	0.8
66.91519	0.6
70.09724	2.2
70.10075	0.9
75.56493	0.7
77.20299	0.7
77.22764	0.5
93.32688	0.5
97.06583	2.6
110.94550	0.6
113.09772	0.5
115.07693	0.5
135.84413	0.6
139.05289	0.5
145.09799	0.6
153.12859	1.8
155.14450	4.2
183.13887	6.9
197.11861	0.7
199.13391	8.3
200.13814	0.8
205.42255	0.7
211.13402	4.3
212.13545	0.6
227.12938	3.8
229.14444	100.0
230.14729	7.1
269.17859	0.7
291.19592	1.8
309.20718	8.3
310.21280	0.7
327.21808	4.8
327.26471	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	326.985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40034	0.6
57.03464	1.0
59.01370	1.6
69.85313	2.9
71.01395	3.8
72.99306	1.0
73.01163	6.9
79.95736	17.9
80.96513	6.0
83.01374	1.6
83.33085	0.7
85.02962	1.3
87.00869	1.1
89.00671	4.1
96.96010	14.7
98.19868	1.3
99.00877	10.5
109.02972	1.6
110.34361	0.8
111.00882	2.9
112.93756	5.4
112.98817	25.7
113.00675	0.9
115.00342	1.0
124.98760	1.3
129.00168	1.0
129.01939	0.9
142.99858	22.7
145.01427	2.2
146.36873	0.6
149.02486	3.7
149.03471	0.8
150.03192	3.5
152.96858	59.0
153.97200	0.8
164.04828	1.2
165.05594	5.7
168.99625	1.8
173.00909	17.1
174.01691	13.5
247.02840	0.9
301.79315	0.7
323.55615	0.9
326.98480	100.0
327.98807	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	326.985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
58.47549	0.7
59.01385	3.2
63.37082	0.6
68.99799	1.0
70.37982	3.2
70.99596	1.0
71.01395	6.0
73.01177	12.0
73.02953	1.1
75.00840	1.0
79.95740	25.8
80.96516	8.6
82.50636	0.8
83.01374	1.8
85.02953	1.2
89.00676	8.5
89.02460	0.8
96.96020	14.4
98.19978	1.0
99.00883	10.1
101.00619	1.0
109.02955	1.4
111.00874	2.7
112.93744	5.0
112.98816	26.8
115.00361	2.2
124.98790	1.3
129.00185	1.6
134.04745	13.7
135.05066	2.8
135.05974	0.8
142.99867	27.5
144.00313	0.8
145.01440	1.2
152.96870	100.0
153.97083	2.2
165.05510	0.8
168.99648	2.6
173.00919	18.2
174.01711	13.7
180.27768	0.8
208.53612	0.9
238.31645	0.9
252.96567	1.1
326.98495	99.4
327.98865	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	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.38533	0.4
50.50462	0.4
57.57012	0.4
59.01370	0.4
60.42368	0.4
69.03459	0.4
70.89389	0.9
79.95765	0.8
88.56344	0.4
119.05058	0.6
124.51636	0.3
149.09720	90.4
150.10057	5.0
163.11288	100.0
164.11607	6.8
170.00458	0.6
183.01202	27.0
184.01974	3.3
197.02730	1.3
203.66292	0.4
216.01022	1.5
231.39862	0.4
265.25320	2.7
281.28503	1.5
307.26416	2.1
325.18329	44.6
325.21725	89.5
325.27197	11.2
326.18680	5.2
326.22055	10.8
326.27731	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	325.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01725	1.1
60.47403	0.7
61.98829	13.8
63.55826	0.7
70.07710	3.0
71.01377	4.9
72.99325	0.8
73.02944	1.0
75.00897	0.9
85.02967	3.0
89.02442	2.1
89.31293	0.8
98.19958	1.5
101.02428	4.0
112.05886	0.7
113.02474	2.1
119.05006	1.1
134.04730	52.4
161.04570	4.0
163.04163	1.1
163.94397	1.0
164.07242	1.1
265.12930	6.8
266.09021	1.1
325.03534	1.5
325.10220	1.7
325.14053	2.0
326.00015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29494	1.0
52.73155	0.9
57.03445	1.8
58.00589	4.7
59.01394	5.2
62.63828	1.1
62.86166	1.0
64.95250	1.7
67.73129	1.0
68.83794	1.1
69.03461	1.3
70.44093	4.0
73.01183	3.4
80.96493	1.3
81.03438	1.6
95.05016	1.9
97.06596	3.3
98.19896	1.1
99.08157	1.1
111.08206	1.2
113.06096	5.3
115.07655	8.8
127.07665	9.1
128.03464	1.0
129.09207	1.8
151.11304	14.1
153.12851	12.9
155.10710	1.3
155.14423	3.2
157.83281	1.0
165.12822	3.2
171.10245	1.9
181.12364	2.9
183.01183	3.4
183.13853	3.5
191.10861	2.0
195.10210	1.6
197.11816	17.8
198.12090	1.4
199.13390	34.5
200.13731	1.9
209.11859	4.5
211.13368	1.7
215.12883	19.2
216.13187	1.8
226.11081	1.7
227.12886	100.0
228.13257	7.2
229.14442	48.7
229.16728	2.4
230.14778	3.5
241.13583	1.3
245.19136	1.6
263.20148	3.8
269.21008	1.9
281.21115	1.7
289.18094	4.2
297.20691	4.9
307.19110	15.8
308.19312	1.3
320.77603	1.1
325.15106	3.1
325.20270	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	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
55.87112	1.6
58.72924	1.6
59.01383	4.3
60.84960	1.3
62.37334	1.4
63.96239	1.3
64.81387	1.3
64.95225	1.6
70.13874	5.0
71.01405	2.2
71.05072	1.3
73.01187	3.3
82.22697	1.5
98.20567	1.4
121.02982	5.7
122.03761	4.4
123.04501	1.8
135.91837	1.6
136.05330	1.9
139.68031	1.3
152.94467	1.5
167.14519	5.3
168.04271	1.8
173.87549	1.3
183.01242	3.7
193.15961	3.8
207.17636	3.3
210.40811	1.5
225.02177	1.6
231.17590	2.1
233.15485	1.6
240.60098	1.5
249.18622	33.7
250.18997	2.4
265.14664	1.7
275.16565	28.6
281.21182	7.5
293.17603	100.0
294.17776	8.2
307.19376	4.8
325.07324	1.7
325.20328	73.6
326.12384	1.9
326.20667	7.1
343.61844	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	325.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
57.03454	3.4
58.00584	1.4
59.01382	30.0
59.27605	0.6
65.15078	0.6
70.97987	1.2
70.98329	0.9
71.01384	23.0
72.99313	1.2
73.02942	4.5
75.00820	0.7
83.01379	2.9
85.02952	9.2
87.00874	2.5
89.02442	11.3
95.01400	2.4
97.02917	1.7
99.00884	2.0
99.04509	1.4
101.02442	14.2
106.44868	0.7
113.02453	8.2
115.04002	1.7
119.03500	4.2
119.04971	3.4
122.24995	0.6
133.05046	1.3
145.03159	3.1
146.03340	0.9
161.04604	3.8
163.04337	35.8
164.04652	2.1
175.05336	0.6
176.04770	0.7
179.05559	0.7
204.13800	0.7
205.05426	2.3
218.08147	1.0
325.09610	100.0
326.09854	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	324.988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
63.94461	14.0
63.96255	1.2
64.95248	97.9
65.95191	1.0
69.62666	2.2
69.63081	1.6
70.99599	4.3
71.01377	0.7
72.97541	1.2
73.01165	7.9
75.53011	0.5
76.90673	0.6
78.96815	31.6
79.95739	0.6
85.02943	6.2
89.02407	0.6
91.74818	0.6
95.91691	5.0
99.00884	0.7
99.04585	0.8
101.00671	20.0
101.02452	0.6
110.94029	100.0
112.98824	0.9
113.00730	0.6
115.02238	0.7
117.00170	2.0
123.04525	1.1
126.98635	1.7
129.00197	0.8
142.98065	0.9
144.99631	3.0
156.99637	1.6
173.00952	0.7
174.01691	28.2
175.02042	1.3
184.27211	0.6
217.01746	57.0
218.02061	2.9
245.01057	0.9
263.06863	0.6
307.19073	0.7
325.20230	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77451	2.1
56.34219	1.9
59.01375	15.1
62.73086	1.7
63.94458	5.0
64.95258	15.7
69.03458	4.8
70.74703	2.2
70.75053	5.5
70.99608	14.9
71.01397	4.0
71.05011	2.0
72.27590	2.0
72.97548	4.8
73.01173	7.3
74.99088	3.5
75.00870	3.6
77.77695	2.1
78.96817	20.6
80.96481	2.1
85.02956	6.1
89.00676	9.9
92.00622	1.9
97.02948	9.2
97.06637	2.6
101.00688	5.6
102.66676	1.9
102.98601	3.3
103.02187	2.4
108.87737	1.8
110.94038	14.7
111.00870	2.7
113.00677	3.1
115.99418	3.1
123.00940	2.4
129.00188	6.5
129.01913	4.2
131.01736	35.2
136.67413	1.8
142.98090	13.0
145.01436	2.4
153.88596	1.9
156.99635	22.4
157.01465	4.2
159.01196	6.0
161.02756	3.2
171.10217	2.0
184.99213	3.3
217.01720	2.1
224.16306	2.0
237.15126	2.0
249.04369	100.0
250.04688	4.6
251.51401	2.1
289.17859	4.2
307.19159	3.7
325.20245	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	325.0928
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
52.89566	0.3
56.43045	0.3
57.13265	0.3
59.01093	0.4
59.01382	5.4
64.42133	0.3
68.81283	0.3
69.30295	2.0
69.30705	0.5
71.01380	2.6
73.78088	0.2
85.02934	1.0
89.02428	2.1
96.95998	0.3
98.20663	0.6
101.02442	1.0
113.02456	1.3
117.03466	20.8
118.03802	0.9
119.03532	0.7
119.05023	5.4
121.18147	0.3
133.06595	0.4
145.02950	100.0
146.03296	5.0
159.04558	0.6
161.06085	1.3
163.04013	8.6
171.07246	0.3
172.65779	0.3
177.05482	0.4
187.03978	3.1
205.04994	1.5
235.06296	0.4
265.07248	2.0
302.00800	0.3
325.09238	5.1
326.09750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
58.37130	0.3
59.01389	1.4
61.77173	0.3
62.68078	0.3
63.94469	10.1
63.96239	0.7
64.95251	100.0
65.17561	0.3
65.95188	1.2
67.01921	0.4
70.99596	2.2
71.01395	0.7
71.61577	0.6
72.97528	0.5
73.01176	3.4
76.76459	0.4
77.70087	0.4
78.96823	18.1
79.93984	0.7
79.95741	0.5
80.74432	0.3
85.02957	3.2
89.02434	0.5
89.51233	0.3
95.91678	4.4
97.02968	0.4
98.99080	0.4
99.04585	0.3
101.00680	8.2
110.94035	97.0
111.24814	0.4
111.43561	0.4
111.94005	1.1
113.00664	0.4
117.00106	0.7
123.04559	0.6
126.98609	1.4
129.02980	0.3
130.08757	0.5
135.08092	0.4
139.23363	0.3
142.98087	0.5
142.99902	0.6
144.99661	1.6
156.99580	0.6
171.10260	0.7
173.00960	0.6
174.00188	0.8
174.01694	15.5
189.54573	0.4
209.11868	0.4
217.01759	26.4
218.02078	1.2
227.00250	0.8
307.19180	0.8
317.11032	0.4
325.20151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63821	0.4
52.89873	0.4
59.01377	0.6
63.94463	18.7
63.96243	1.3
64.95248	100.0
65.95181	1.2
69.30110	3.8
73.01181	0.8
75.08092	0.4
78.96818	55.6
79.96739	0.5
83.01376	0.8
83.05037	0.4
93.85313	0.4
95.00230	0.4
95.91680	4.2
96.65060	0.3
101.00682	0.9
110.94031	92.1
111.93951	1.1
125.02432	0.8
129.00156	1.0
142.59950	0.4
152.98087	0.4
156.99629	0.8
171.10161	0.5
174.01663	2.1
191.22446	0.3
200.60603	0.4
217.01813	1.0
224.97621	0.3
244.86311	0.3
245.01192	0.9
278.14740	0.4
287.16577	0.4
289.18130	1.0
307.19122	0.5
325.20184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.9
58.08981	1.6
59.01380	100.0
60.01725	1.4
71.01385	50.4
71.11884	2.2
72.99303	2.5
78.95887	1.6
83.01385	2.9
85.02958	10.6
87.00857	1.8
89.02444	57.3
95.01395	3.7
99.00883	2.2
101.02443	33.2
113.02451	19.6
113.43938	1.3
114.01970	2.3
119.03502	29.0
143.03470	2.3
149.04567	3.3
161.04506	2.7
179.05585	4.1
185.05496	1.5
192.57632	1.3
227.16672	1.7
323.13467	99.1
324.13794	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	323.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87925	0.9
55.01877	5.5
57.03444	4.1
58.00594	4.4
59.01382	88.8
60.01714	1.1
64.70517	0.8
64.95238	1.1
66.69294	0.8
69.03471	1.1
71.01384	100.0
72.01705	2.2
72.99299	6.1
73.02952	22.8
75.00900	1.8
79.95734	3.7
80.96524	1.4
81.03447	1.0
83.01382	13.4
85.02953	38.8
87.00890	4.6
89.02446	51.7
95.01396	7.7
97.02957	1.9
99.00885	10.9
101.02446	79.1
102.02795	1.7
104.36234	0.8
112.75394	0.8
113.02453	43.4
114.01958	2.8
119.03501	21.7
119.05022	2.7
125.02458	2.3
127.07693	1.0
128.91875	0.9
129.01912	1.1
129.09230	9.3
130.08685	1.2
131.03493	2.2
134.80595	1.1
143.03529	5.6
143.90196	5.6
143.91118	1.0
149.04521	1.4
152.96855	1.0
159.02985	6.5
159.04173	1.1
161.04559	30.8
161.11839	12.3
163.03908	0.9
169.41452	1.0
174.04153	1.2
177.01981	1.0
179.05664	6.3
190.99835	1.0
201.57996	0.9
205.03435	1.1
237.14987	1.1
281.10541	1.2
323.08643	1.7
323.17072	15.2
324.17337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21486	0.9
55.01861	1.3
57.96497	1.0
58.00588	2.9
59.01381	100.0
60.01711	1.5
71.01382	49.7
71.59810	1.6
72.99297	2.7
83.01386	1.8
85.02960	9.5
87.00910	2.5
89.02444	53.2
89.47882	1.0
90.02798	1.0
95.01366	4.2
95.19332	0.9
99.00867	2.6
101.02445	33.6
113.02449	19.8
114.01966	22.6
119.03506	25.4
131.03484	2.9
143.03468	2.6
161.04474	1.0
174.04114	7.1
179.05585	3.2
263.06680	3.5
323.08945	13.0
323.13425	93.8
324.13666	6.6
347.46060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72258	0.2
59.01370	1.4
69.52219	2.2
71.01382	0.5
79.95740	1.2
80.96520	0.5
93.03442	0.9
101.02450	0.4
113.02445	0.5
114.01884	0.4
119.05026	100.0
120.05357	3.9
129.94409	0.3
142.99948	0.7
159.45300	0.4
161.04633	0.4
215.63029	0.3
261.44333	0.3
274.87802	0.3
323.09390	0.4
323.15036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72758	0.9
55.01886	1.6
55.94997	1.0
57.03439	1.4
58.00590	3.2
59.01380	88.3
60.01725	1.1
70.43566	2.6
70.43916	1.1
71.01383	47.2
72.99294	3.2
73.01175	4.8
73.02962	1.9
83.01378	2.0
85.02949	10.6
87.00862	2.6
89.02448	48.1
95.01392	3.7
99.00904	1.0
99.08150	1.0
101.02446	36.0
104.34715	0.8
113.02450	19.4
114.01980	4.6
116.05407	1.4
119.03506	25.1
131.03549	1.7
143.03488	2.8
143.07172	1.0
145.02876	1.6
149.04491	1.5
161.04620	4.7
174.04077	1.9
179.05605	4.3
323.08963	3.3
323.13452	100.0
324.13757	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	323.11
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57761	0.8
57.03436	1.2
59.01384	6.5
63.94466	4.6
63.96245	1.4
69.52917	7.1
69.85907	0.9
70.02982	8.0
71.01394	5.7
71.05022	28.0
72.00909	2.1
74.00694	6.9
78.96389	1.6
78.96817	17.5
79.73771	1.1
80.96532	0.8
82.02988	3.9
83.05049	1.8
85.02966	1.8
87.05656	4.4
89.02454	2.0
93.03499	0.8
93.54758	0.9
95.93450	1.3
96.96043	1.0
99.00889	1.4
99.04520	10.2
101.00703	1.2
101.02447	2.3
108.31416	0.8
110.00718	2.5
111.00880	1.4
111.05646	2.8
113.02379	1.0
114.01976	3.5
115.05179	1.9
116.07176	4.5
124.98828	1.5
128.01773	37.5
129.02010	0.9
129.05583	2.3
130.03336	4.9
136.05254	1.2
141.04918	0.8
142.99863	2.0
145.04411	5.8
146.08238	100.0
147.05966	3.9
147.08557	3.4
170.92241	1.1
173.66478	0.9
174.04079	1.7
212.98764	1.1
217.11949	10.3
223.13379	1.4
265.14291	1.4
275.10712	69.5
276.11124	4.5
277.12265	39.8
278.12592	3.0
298.65082	1.1
300.06934	1.0
323.09183	2.2
323.14120	1.4
324.22842	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01729	1.0
69.42893	4.0
71.01383	2.6
80.14413	0.4
85.02962	0.7
89.02443	4.5
97.34400	0.5
98.19847	0.6
101.02477	1.6
104.98386	1.0
113.02450	1.1
116.10948	0.5
119.03529	1.6
205.43117	0.5
213.10226	0.4
238.56691	0.4
253.65097	0.5
316.30103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2071
Annotation	Rapanone
Peak:m/z	Relative Intensity
54.37696	0.6
59.01381	100.0
60.01707	1.1
61.98836	0.8
69.79853	3.7
76.31940	0.8
83.45155	0.6
91.15111	0.7
94.06632	1.1
103.04019	1.4
130.08755	1.4
190.48347	0.8
277.18277	0.8
321.20703	60.6
322.21066	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	322.2024
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02979	2.3
69.48410	1.8
73.01171	1.6
75.00742	0.6
81.03479	0.4
86.70593	0.2
95.05031	0.5
96.17294	0.3
97.06599	0.6
104.98392	2.9
105.98750	0.6
106.97966	1.5
109.06583	0.4
124.14962	0.3
128.10822	7.1
130.08743	100.0
131.09108	3.2
142.99854	0.5
165.12856	1.1
172.09737	0.5
244.51982	0.4
270.05603	0.3
322.20230	32.6
323.20514	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	322.9578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49091	0.4
59.01379	1.6
63.96231	5.1
64.95256	1.4
71.01389	0.9
73.01172	4.6
78.96818	0.9
79.93979	2.0
79.95740	49.4
80.96520	13.3
82.96097	1.8
89.02444	0.9
96.96048	0.5
97.42219	0.4
104.98390	2.6
111.92953	100.0
112.92980	0.8
112.93741	2.1
113.04291	0.4
114.01977	0.9
130.50290	0.4
142.99950	1.3
143.90155	20.8
144.90967	2.9
144.99521	0.9
146.37604	0.5
148.40520	0.4
174.03995	0.5
185.67393	0.4
194.99779	0.5
229.67474	0.4
240.96698	0.6
251.30263	0.5
258.95944	33.4
259.96225	1.3
288.83862	0.5
319.39981	0.5
322.96198	2.3
323.09201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79445	0.5
55.01873	1.1
57.03451	0.7
58.00584	1.9
59.01381	40.9
60.01730	0.4
61.07109	0.4
63.96260	0.5
69.66962	3.0
71.01385	20.7
72.04510	0.5
72.97131	0.5
72.99316	1.7
73.02956	1.3
77.55934	0.4
77.76598	0.4
79.95761	0.6
80.96524	0.5
83.01412	1.6
84.02122	0.5
85.02956	5.3
87.00868	1.7
89.02444	18.2
95.01411	1.4
95.93475	0.7
96.72478	0.5
99.00869	1.0
101.02444	12.8
103.65829	0.5
104.54781	0.5
111.08186	0.7
113.02454	7.4
113.09725	29.8
114.10052	1.4
119.03499	8.4
127.11324	0.6
141.09224	6.8
142.61610	0.5
143.03514	1.1
143.10785	1.8
149.04527	0.8
155.00140	0.5
155.10754	2.3
159.10269	66.5
160.10597	2.8
179.05655	1.0
201.11305	1.6
251.97617	0.5
255.94958	0.5
321.15540	100.0
322.15860	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	321.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91600	0.7
58.02967	1.0
59.01380	34.5
63.94462	6.3
63.96249	0.9
64.95253	2.2
70.99603	1.7
71.01382	3.1
71.52728	1.3
71.99123	1.0
72.00887	1.1
72.99345	1.1
73.01173	2.1
74.00694	10.3
74.02496	2.4
79.95744	4.7
80.96515	2.1
82.03001	6.9
84.04555	2.8
85.02959	1.8
86.02480	7.8
87.00887	1.2
89.02439	1.5
90.41186	1.0
96.96025	2.3
97.02957	1.0
99.00887	0.8
101.02445	1.7
104.98387	100.0
105.22053	0.9
105.98759	2.1
111.00880	3.2
113.02457	1.8
119.03542	1.0
120.99664	2.9
123.06670	0.7
124.91641	0.7
125.02431	2.0
125.07226	2.2
127.05156	2.3
127.08783	12.9
128.03545	70.3
129.03889	1.4
138.05638	6.5
151.05135	2.3
153.06700	1.9
158.03781	1.2
164.82339	0.9
169.04758	1.3
169.06189	20.9
171.07755	56.2
172.08049	2.0
185.03896	1.8
190.54231	0.8
203.04968	6.6
205.03554	2.6
206.11890	0.9
215.06789	1.8
261.13455	1.4
321.10303	1.7
321.15915	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	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
59.01376	3.1
60.74358	0.8
61.85030	0.7
67.01904	0.7
69.03449	2.7
70.99435	1.6
71.01383	5.7
72.99308	25.0
75.00867	6.9
79.16904	0.6
81.03457	27.1
85.02957	4.7
87.00861	2.3
96.56937	0.7
97.02944	2.5
99.00880	20.0
113.02441	8.0
115.03975	1.1
115.07661	7.7
117.01945	3.8
119.83790	0.7
125.02446	70.4
126.02769	3.2
129.01953	2.3
131.03462	3.3
136.99759	0.7
143.03506	10.6
147.02991	1.1
159.02962	0.9
161.04564	4.5
169.01442	2.8
177.03976	0.7
187.02525	0.8
205.03526	100.0
206.03870	3.8
213.17937	0.6
223.04834	1.4
232.42929	0.7
321.11853	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	321.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96536	0.7
57.03471	1.1
59.01381	7.3
63.94461	21.7
63.96235	2.9
64.95248	44.4
70.82461	2.1
70.99609	12.3
71.01392	2.6
72.97545	2.7
72.99326	0.7
73.01173	13.1
74.60326	0.7
75.02734	6.0
79.95747	2.9
80.96536	1.0
85.02949	9.6
87.00902	1.0
99.00896	0.9
99.04492	1.0
101.00673	27.9
104.98386	5.7
106.99958	46.2
110.44575	0.8
111.92945	1.8
112.52335	1.0
112.93745	1.5
117.00179	3.6
129.00191	1.2
142.98080	2.3
143.90117	1.5
144.99631	5.5
156.99622	2.3
158.95782	1.1
217.01752	100.0
218.02075	3.7
265.10434	0.8
301.22934	0.9
321.04889	1.4
321.13538	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	321.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20897	0.4
59.01375	1.0
63.94463	35.5
63.96238	2.4
64.95248	90.8
65.95203	0.6
69.63589	0.9
69.63992	1.9
70.77248	0.4
70.99629	0.7
71.01373	0.6
73.01180	0.7
75.02731	2.9
77.44770	0.4
78.96828	0.6
79.93980	0.8
79.95737	7.4
83.01397	0.8
85.02962	0.9
98.20652	0.4
102.28949	0.4
104.98424	0.7
106.99956	100.0
108.00344	1.0
111.92954	5.1
112.93752	3.4
112.98798	0.9
113.00670	0.5
113.02475	1.1
121.03012	0.6
127.02255	1.7
141.00186	1.5
142.99826	1.0
143.90144	4.0
144.90939	0.6
148.11223	0.4
157.01393	0.8
161.00955	1.2
173.00916	1.7
174.01735	0.5
177.80905	0.4
217.01634	0.7
264.66968	0.4
320.94199	1.4
321.04639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.7
59.01374	16.8
59.92345	1.6
68.99819	18.1
69.03447	2.5
71.01389	16.2
71.33089	2.4
71.33460	1.9
72.99329	1.7
73.01178	26.0
79.95743	3.1
80.96504	2.3
81.03437	1.6
83.01369	3.3
83.05021	10.4
84.16465	1.5
85.02957	2.3
87.00873	20.3
89.00694	3.8
93.03471	15.2
95.01385	19.3
96.02185	9.4
96.99306	17.8
98.00108	8.4
99.00902	4.2
101.00666	13.8
103.02222	2.2
104.98376	26.7
111.04500	5.2
112.98797	8.4
115.00375	49.9
115.02222	13.3
119.01744	8.3
127.00362	6.1
129.99084	5.2
131.01706	4.2
142.99843	6.7
143.01752	3.0
155.03510	22.4
157.03371	3.7
159.01196	3.4
161.00908	3.9
173.00914	3.5
174.01700	100.0
175.02489	82.6
187.00732	5.0
215.05623	60.0
216.05983	1.8
247.02820	42.9
247.05347	2.9
248.03096	3.1
286.18393	1.5
314.08710	2.1
321.04749	21.8
321.16901	1.9
322.05124	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	320.9423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65950	0.4
59.01375	0.9
59.22850	0.3
60.97525	1.8
63.94473	2.3
64.95248	8.3
69.67784	0.8
69.68188	2.0
78.96815	9.7
79.95738	14.8
80.96519	100.0
81.96428	0.4
90.98369	0.4
93.86322	0.4
96.96012	2.9
98.20619	0.5
99.02750	1.0
112.93759	2.3
113.04364	0.6
115.02236	0.9
126.95323	0.6
127.02261	1.2
142.99959	11.8
143.90161	0.8
143.97078	0.9
145.01503	0.4
145.03326	0.4
158.99406	3.6
159.94804	0.4
161.01003	3.1
173.00897	0.6
173.96211	0.5
174.97165	1.4
192.98212	1.8
238.96941	3.2
254.92825	0.8
272.93848	0.8
320.14819	0.7
320.94220	10.4
321.94342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1395
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
52.58848	0.6
55.01869	0.9
57.03440	1.8
58.00580	1.1
59.01380	34.0
60.97528	1.0
62.97126	0.6
63.96260	0.7
71.01383	19.0
72.99296	2.3
73.02947	1.9
83.01397	3.0
84.02174	1.3
85.02960	5.9
87.00875	1.7
89.02448	16.9
92.50371	0.5
95.01386	1.5
101.02447	13.3
109.02950	0.6
111.08157	20.1
112.04077	0.6
112.08441	0.8
113.02454	6.1
113.88303	0.6
119.03481	6.2
132.79630	0.6
136.07712	1.5
138.05602	3.5
139.07668	5.3
141.09171	0.8
153.09247	1.2
155.07184	0.7
157.08698	64.4
158.09012	2.7
182.04597	0.8
184.06154	1.0
199.09724	1.7
218.00340	0.6
257.12964	0.7
297.66504	0.7
319.13968	100.0
320.11011	0.9
320.14380	7.8
331.26364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.9422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78238	0.9
51.09893	0.8
51.10178	0.8
57.42325	0.8
59.01379	3.3
60.97520	4.9
63.94456	5.8
63.96225	1.2
64.94986	0.6
64.95248	5.6
68.99822	1.1
71.01377	2.3
71.61411	1.4
73.01166	2.9
78.96344	0.8
78.96812	24.2
79.95735	16.0
80.96516	100.0
87.00879	1.4
96.96005	6.9
96.99316	1.0
99.02711	1.9
101.00693	0.9
104.98398	4.8
105.04594	0.8
107.11919	0.8
109.01146	1.7
111.92942	3.1
112.93735	6.2
112.98816	0.9
113.04244	1.4
115.00352	2.2
115.02243	2.6
127.02220	1.5
142.99948	31.5
143.90187	0.8
144.00189	0.8
149.09380	1.0
152.96849	1.2
155.03497	1.2
158.99443	2.5
161.01021	13.3
174.01698	4.4
175.02461	4.9
215.05626	3.3
238.96992	11.2
239.97350	1.2
247.02805	1.9
249.36189	1.0
320.94202	27.5
321.94791	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	320.9422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84359	0.3
59.01372	0.9
60.04264	0.2
60.97530	1.9
63.94464	1.8
63.96227	0.4
64.95248	4.8
66.11726	0.2
70.99619	0.4
71.01383	0.3
71.18027	0.2
78.96817	7.6
79.93950	0.4
79.95741	13.7
80.96518	100.0
81.68865	0.2
81.96461	0.3
83.05509	0.3
96.96015	2.1
99.02755	0.8
104.98392	2.9
111.92978	0.4
112.93735	1.1
112.98801	0.5
113.04296	0.5
115.02219	0.8
126.95290	0.6
127.02219	0.7
127.19692	0.3
128.03522	0.4
130.99962	0.3
142.99954	9.9
143.97028	0.6
152.96831	0.4
154.96500	0.3
158.99483	2.0
159.94833	0.5
161.01007	2.6
169.03699	0.2
171.07755	0.3
173.00967	0.4
174.97154	1.4
192.98170	0.7
219.30043	0.3
229.11067	0.3
238.96983	2.2
239.97163	0.3
254.92789	1.0
256.94363	0.6
269.65576	0.2
272.93945	0.3
320.94193	8.4
321.94333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03442	3.4
59.01374	6.6
59.37691	1.8
63.36223	2.0
63.51515	2.0
64.36386	1.8
64.36750	2.0
70.08581	3.6
70.08975	5.6
71.01373	13.1
71.52895	1.8
72.77428	1.8
73.02970	2.1
76.53271	2.0
79.95741	6.0
80.96526	5.5
83.01377	5.6
85.02951	6.0
85.39860	1.8
96.50504	1.8
99.00879	25.5
101.02431	3.1
111.00882	8.8
112.98808	82.8
127.00390	2.3
129.01907	2.2
132.72266	2.0
142.98810	3.4
142.99873	39.1
145.01456	6.5
147.04901	2.2
148.83157	2.0
165.12813	4.3
173.00909	100.0
174.01700	14.2
180.35828	2.0
183.13930	4.4
201.14978	3.1
209.11919	4.1
227.12881	14.0
245.13898	13.3
247.02779	7.5
300.30237	1.8
316.85257	1.8
319.17682	12.3
319.21268	4.9
330.55612	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	319.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.2
57.04359	1.4
59.01379	15.2
60.97520	1.8
63.96220	2.2
64.35550	1.6
65.95840	1.5
71.01388	6.8
73.02919	2.2
79.95745	2.7
80.96524	2.0
83.01384	1.8
85.02945	5.0
89.02448	5.6
96.96006	7.0
101.02438	5.9
106.06638	3.0
111.08138	6.5
113.02435	3.8
113.47594	1.6
119.03566	1.8
120.04533	3.3
122.06137	5.5
124.07705	4.5
125.02413	2.2
132.04541	6.7
133.02983	3.2
134.03716	5.5
134.06100	2.7
135.04597	4.1
136.07666	8.6
137.02428	3.9
139.07613	3.1
141.51729	1.6
156.04817	2.0
157.08698	15.6
161.02432	5.7
178.02771	1.9
179.03313	2.9
197.07291	1.7
200.09489	5.0
202.68408	1.9
212.09573	10.0
213.10170	3.6
214.11067	9.5
215.11876	26.5
218.11908	4.1
219.12070	2.3
225.10165	1.9
226.11137	11.2
227.11876	49.3
228.12140	6.5
229.13441	29.9
230.13808	1.9
239.11980	3.9
242.10567	4.2
243.02863	3.7
245.12999	2.1
257.12943	100.0
258.13266	7.6
259.10849	18.2
271.02408	5.8
275.14017	7.8
285.03802	2.0
299.01965	3.6
300.02481	3.0
301.11899	24.6
302.12457	2.5
305.11118	2.1
314.04379	9.6
315.05014	3.7
319.06772	10.4
319.13232	48.8
319.21103	17.4
319.56613	4.9
320.14063	3.2
343.12274	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	319.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.2
59.01379	5.0
69.25945	33.1
70.64864	2.8
71.01382	13.9
79.95743	59.5
80.96519	31.2
83.01398	8.8
85.02985	4.7
87.00825	2.8
99.00893	30.9
111.00851	6.9
112.93759	6.3
112.98814	95.3
115.00375	3.8
121.89986	3.6
124.98795	5.6
126.63266	3.6
129.00212	3.5
132.58119	3.4
142.99870	41.4
145.01431	4.4
152.96848	3.2
173.00916	100.0
174.01672	18.1
189.95882	3.6
217.44293	3.2
226.98740	12.3
247.02754	9.2
270.78531	3.2
319.21216	5.6
340.49921	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	319.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32806	1.6
50.53663	1.6
57.03438	5.8
58.02962	3.1
59.01368	8.1
68.99778	2.1
71.01389	9.7
71.10526	4.4
71.77100	2.0
72.00911	2.6
73.01171	3.6
73.02956	3.1
79.95739	30.4
80.96533	4.1
81.95293	2.7
83.01385	3.5
85.02949	6.5
91.05504	3.1
92.90205	2.3
99.00887	29.2
104.98357	4.2
111.00871	8.5
112.98811	89.5
115.00344	6.2
118.06631	2.1
124.98827	2.1
129.01984	2.7
129.10338	39.6
140.98279	1.8
142.98810	3.2
142.99867	42.3
143.01563	2.1
145.01430	6.9
147.04561	12.5
152.96854	5.1
154.08733	5.9
160.18024	1.8
164.07181	34.0
171.11391	26.2
173.00917	100.0
174.01692	13.2
182.97632	2.0
191.07590	2.1
214.63548	2.1
226.98706	4.1
233.16571	20.5
234.16924	2.1
247.02823	6.9
252.28802	1.9
275.17474	4.6
289.86716	2.2
319.12775	2.4
319.16614	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
63.94466	5.1
63.96239	0.3
64.95250	1.4
70.45686	1.1
70.99603	1.5
71.01375	0.5
72.68331	0.3
73.01172	42.3
74.01501	0.8
74.58458	0.3
79.95739	0.9
83.01391	1.1
85.01192	0.9
85.02943	0.8
89.37904	0.3
99.00883	0.7
101.00643	0.7
104.98386	100.0
105.98729	1.4
111.00864	0.4
112.98830	3.3
113.00649	2.0
113.02441	0.5
129.00185	1.7
141.00163	12.6
142.99838	1.5
144.95947	0.4
144.99837	0.3
171.01216	0.9
173.00911	2.6
174.01680	0.3
185.71120	0.3
190.84296	0.3
207.85612	0.3
217.01714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11002	0.7
54.60088	0.7
59.01374	2.5
63.94461	9.7
63.96227	0.7
64.95249	3.0
67.71799	0.7
68.50163	0.6
69.03467	0.6
69.39058	3.4
69.39481	1.9
70.99597	3.4
71.01379	1.3
72.97485	0.7
73.01172	18.2
79.95737	13.0
83.05058	0.6
85.02940	2.4
85.68211	0.6
91.02261	0.9
97.01160	0.8
98.20634	1.3
99.00893	2.7
101.00663	8.3
103.97578	1.0
104.98382	100.0
105.98772	1.4
112.98801	5.4
113.00694	1.0
125.02512	0.8
126.98582	2.5
127.02168	0.7
128.03525	1.5
129.00162	18.2
129.01126	0.9
142.99866	2.9
143.04608	1.1
143.90149	3.7
144.34187	0.7
144.99629	1.1
145.01364	0.7
149.09686	0.7
152.90251	0.6
155.03453	0.9
171.01222	1.6
171.98289	0.9
173.00864	5.1
174.01688	5.8
189.08800	0.8
217.01730	10.2
219.03102	0.9
230.02431	1.1
231.03268	4.3
244.00592	1.0
272.08759	1.5
305.08853	0.9
319.03088	1.9
319.19040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
56.60762	0.8
57.03453	1.7
58.00594	4.5
58.02998	0.8
58.04580	0.7
58.62460	0.7
59.01379	63.1
61.98822	3.0
70.43695	2.1
71.01383	43.8
72.01743	1.0
72.99309	4.9
73.01187	1.3
73.02922	1.3
73.04064	1.6
74.02476	15.6
78.95891	1.3
83.01388	2.8
84.00880	0.9
84.50113	0.8
85.02952	7.7
87.00858	2.7
87.05635	1.2
89.02444	36.2
95.01403	3.6
99.00893	1.0
101.02444	30.2
102.02757	0.8
111.00874	0.8
112.04066	1.4
113.02451	15.0
114.05568	0.9
115.00349	2.9
116.92847	1.1
118.03322	0.8
118.05120	1.3
119.03500	16.4
125.02461	0.9
126.42835	0.9
127.00356	2.2
129.10289	1.3
130.08708	1.7
131.03494	1.1
133.01468	1.0
138.05608	27.5
138.98848	0.8
139.00316	1.5
139.06004	1.2
139.08789	1.2
140.07210	1.0
141.10365	1.4
143.03519	1.2
143.11890	7.3
149.04599	1.1
154.08716	2.6
156.06650	14.8
161.04578	1.0
169.09830	2.6
175.02460	4.6
179.05573	1.5
180.06668	2.3
187.10866	1.5
198.07683	0.9
200.14014	6.0
217.11943	1.6
229.27931	1.1
244.13002	5.3
274.14090	14.4
276.04047	1.0
300.10907	2.1
318.11932	100.0
318.16357	7.3
319.08884	1.1
319.12277	7.3
328.70950	0.9
330.29373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95178	2.5
59.01370	2.9
70.81801	5.2
70.82106	4.3
73.01190	3.2
79.95726	5.4
83.05003	3.1
91.93340	2.7
106.06631	93.1
107.06975	3.4
108.65990	2.9
110.02469	3.4
122.06143	4.3
123.03187	2.9
138.05640	18.7
140.07162	15.1
144.08168	3.9
150.05617	10.6
152.03525	43.7
166.05032	18.3
167.05872	100.0
168.06198	5.8
170.09760	5.5
184.01688	2.7
186.08450	2.5
186.10036	3.0
186.12843	12.7
200.07166	4.1
201.07974	16.1
212.10962	3.1
215.09448	11.5
218.28108	2.8
226.07431	5.7
230.11821	37.3
239.08261	3.6
240.09102	4.2
255.11391	48.1
256.11688	3.1
273.12439	47.2
274.10748	8.7
284.62326	3.2
299.10431	17.3
317.11420	68.5
318.11725	4.1
325.21344	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	317.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03450	6.4
59.01373	4.8
63.02398	1.0
63.96239	1.4
64.95239	1.1
65.00323	2.4
71.01402	1.1
71.05024	4.0
71.61010	1.0
73.02505	1.0
79.95737	6.8
80.96521	4.3
83.01381	2.9
83.05026	1.6
87.77291	0.8
89.02431	1.0
91.04038	2.2
95.01384	3.4
95.93455	1.7
97.02973	4.4
97.06582	3.1
99.00890	46.7
99.75542	1.0
101.22849	1.0
105.00157	2.2
107.01447	1.5
109.06579	0.9
110.03784	1.0
119.86511	0.9
123.00913	1.5
123.08154	2.0
124.01681	3.3
125.02461	28.4
125.09731	13.4
126.02821	1.0
142.02803	1.0
151.00366	3.5
152.01144	6.2
154.98415	1.3
155.14481	1.5
163.11308	6.8
178.99883	3.0
181.12364	23.9
182.12782	1.4
186.95721	2.5
189.20709	0.9
192.04279	2.0
197.11823	1.5
199.13426	28.0
200.13815	2.0
207.10287	42.4
208.10599	3.1
225.11333	100.0
226.11710	7.5
227.03473	0.9
231.06642	2.1
243.12379	80.5
244.12698	5.7
257.25012	1.0
258.05356	2.0
273.07739	2.9
274.04922	1.3
284.03204	1.1
289.07224	18.3
290.07358	1.3
317.06641	15.0
317.16083	77.5
317.19482	4.4
318.06842	1.2
318.16464	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	317.1968
Annotation	oscr#16
Peak:m/z	Relative Intensity
52.33618	0.4
57.03448	4.5
57.35983	0.4
59.01387	0.7
61.88291	0.3
67.05529	0.5
69.03467	4.0
69.43350	2.8
71.01381	0.7
71.05027	1.0
72.99308	5.8
73.02953	0.8
83.05028	6.5
85.02944	1.6
85.06614	0.4
87.00923	0.4
87.04515	13.5
93.03466	0.7
95.05014	0.7
97.02946	1.1
97.06599	1.1
98.06905	0.4
99.00874	3.2
99.08144	0.5
101.06078	2.7
103.01081	0.4
109.06593	1.0
111.04531	5.1
121.10197	0.4
125.09706	1.2
129.05577	1.0
129.09247	0.6
148.60869	0.4
153.12881	0.7
163.11272	2.1
165.12817	0.5
167.10744	1.8
181.12352	6.3
187.13377	3.5
199.13383	4.0
207.10284	5.4
223.17201	0.4
225.09167	0.7
225.11339	11.5
226.11647	0.8
233.15337	0.5
235.16966	0.8
243.12373	11.5
244.12729	1.0
253.18007	2.0
273.12646	0.6
293.49475	0.4
299.18683	0.7
304.28293	0.4
317.16101	9.6
317.19644	100.0
318.16553	0.7
318.20020	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	317.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
67.06680	0.4
69.33954	3.8
71.01358	0.5
73.00761	0.7
73.01170	13.4
79.95737	100.0
80.96515	9.1
86.99100	1.5
89.00667	4.1
99.00887	1.7
102.96819	0.4
111.92958	0.5
112.93739	8.0
112.98816	4.2
140.01732	1.3
142.99818	1.8
145.01503	0.4
152.96854	33.7
168.04932	0.7
173.00912	5.3
174.01570	0.5
183.93282	0.5
226.05435	1.3
226.98752	39.5
227.98969	1.6
262.49365	0.5
265.63593	0.4
316.99854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
59.01382	4.2
62.21523	1.2
67.44452	1.4
71.01373	10.6
71.60923	2.0
71.61353	2.0
73.01158	7.6
73.02945	1.4
75.00876	1.9
79.95741	77.2
80.96520	16.2
82.96085	2.8
83.01408	4.2
85.02946	3.7
86.99116	5.1
89.00657	2.1
96.96021	4.5
99.00879	20.0
102.96833	2.2
109.02973	3.8
110.00114	2.1
111.00871	6.3
112.93745	6.3
112.98814	74.8
113.99146	1.9
115.00372	2.7
124.01669	2.0
124.98794	1.9
129.01953	2.8
135.04568	8.7
137.02435	1.5
139.00378	3.3
142.99864	37.1
145.01433	5.1
152.96866	19.5
154.96420	2.0
159.23323	1.5
165.99086	3.0
166.99869	4.2
168.99689	2.2
169.97104	2.5
170.97858	1.7
173.00916	100.0
174.01659	13.0
181.01474	7.9
226.98787	16.6
227.98933	1.6
247.02881	9.1
273.12451	6.4
283.71066	1.6
302.04388	3.3
316.98416	5.9
317.06659	3.7
317.10873	2.2
317.14441	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	316.1879
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
69.75453	2.8
69.75881	1.1
71.02494	1.1
73.04072	7.3
74.02493	0.6
80.96539	0.6
82.06642	0.8
83.01357	0.7
85.30283	0.7
85.48626	0.6
88.04047	0.8
95.93484	0.8
103.05128	0.9
112.07684	0.8
114.09263	0.6
115.08784	1.8
116.07188	13.6
116.92850	1.4
125.07214	3.6
126.05614	4.7
127.08823	2.9
129.10332	2.8
130.08746	100.0
131.09106	2.5
139.08803	0.7
140.07224	0.8
141.10394	1.0
143.11885	1.4
143.76335	0.6
149.02470	1.4
150.02779	1.1
153.05608	0.7
154.01436	1.9
154.05949	0.8
154.09888	0.8
155.08270	5.4
167.08266	2.3
168.06668	0.7
168.13907	1.3
169.09863	1.5
171.04900	1.0
172.11014	1.4
185.09323	6.4
185.16600	53.1
186.16872	1.8
199.10904	1.3
229.15517	2.8
240.07069	1.6
242.18747	22.1
243.18994	1.5
272.02768	1.7
286.17712	18.2
287.17996	1.4
298.17725	2.6
299.12479	0.7
301.03082	4.2
316.05396	4.3
316.18774	95.1
317.19083	8.4
328.56543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86877	0.8
59.01375	6.0
61.98840	1.0
66.56709	0.7
68.02541	0.9
71.01392	6.2
71.59658	1.4
73.02950	1.8
74.02469	3.0
78.95910	2.1
85.02949	3.7
87.00874	3.3
87.05668	1.0
88.04039	6.1
89.02444	1.7
93.03457	1.1
95.01382	1.6
96.00954	1.2
96.96944	1.4
97.02930	0.9
99.00907	1.1
101.02443	2.7
107.05032	5.7
108.02179	82.6
109.01809	1.8
109.02971	43.4
110.03294	1.1
113.02424	1.6
114.01989	1.4
114.03838	2.3
115.00401	1.5
115.08746	1.3
116.03432	1.8
116.07205	1.9
117.05582	6.9
119.58589	0.8
120.01243	2.0
121.02917	2.1
122.00861	1.5
123.00925	1.0
123.04505	1.7
127.05156	1.5
128.03543	1.6
129.10312	2.0
130.08730	1.5
133.02905	1.0
134.03743	29.9
135.04535	100.0
136.03993	2.2
136.04886	4.9
145.06122	1.1
151.04021	1.9
152.01158	51.9
153.01947	49.8
154.02296	2.9
154.05145	1.9
161.04570	1.5
163.04039	1.8
165.01901	1.9
169.09918	1.1
174.62585	0.8
183.11400	1.4
187.10950	1.4
196.14571	1.1
200.14113	5.6
201.12473	1.6
217.00195	1.2
218.61516	0.9
259.18115	1.0
272.16217	2.3
276.22293	0.8
281.11417	0.9
298.14066	1.5
315.07230	61.6
315.16843	7.0
316.07544	5.0
316.11389	0.8
316.15170	5.4
316.18890	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	315.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.9
61.98824	3.2
68.02557	1.8
71.01391	6.5
71.60778	1.8
73.02954	2.7
73.04070	2.8
74.02480	8.2
77.94254	1.2
78.95905	5.6
83.01379	1.2
85.02950	2.7
87.05635	2.9
88.04044	13.6
89.00665	1.7
89.02464	3.6
94.84991	1.1
95.01376	2.3
95.93465	4.1
96.00935	3.0
96.96960	8.1
98.02470	1.9
98.90434	1.2
99.00863	1.1
99.05634	2.1
101.02452	3.4
102.05579	3.5
104.03519	2.0
108.02177	100.0
109.02986	28.1
112.26372	1.2
113.02469	1.9
115.00394	4.7
115.08735	2.4
116.07172	4.6
117.05582	33.3
123.00873	1.6
123.04544	3.2
124.04093	1.2
127.05095	1.3
128.03508	6.6
129.10345	4.6
130.08745	5.4
132.03012	2.0
134.03754	1.7
135.04495	6.6
136.04051	1.5
139.08737	1.7
141.10362	1.9
143.04642	1.6
143.11906	4.1
145.09831	1.6
146.04565	1.5
151.03935	1.5
152.01157	60.8
153.01947	31.8
153.05585	2.2
153.10318	1.7
154.05119	1.9
155.11914	1.4
165.01971	1.5
167.03839	3.6
169.09886	1.9
175.04155	1.3
177.03378	2.1
183.11365	2.4
186.12427	1.5
187.10904	5.2
200.14093	10.7
201.12471	4.3
210.07596	1.2
211.14485	1.8
214.15785	1.5
217.11887	3.6
226.12015	4.9
254.18826	2.6
271.21478	1.5
272.16168	4.1
285.07715	1.7
286.17740	5.8
298.14053	2.4
315.01483	2.7
315.07251	69.7
315.16788	11.7
315.20184	2.0
316.07437	5.8
316.15176	16.3
316.18854	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	315.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44323	0.5
63.94453	2.8
63.96243	5.4
64.95245	19.2
70.57771	1.6
73.01171	100.0
74.01501	0.8
75.47289	0.5
76.17796	0.5
78.15972	0.5
82.40318	0.5
95.19866	0.5
95.91679	0.8
104.98393	4.7
105.03800	32.9
106.04151	0.7
123.04543	0.6
137.01009	14.6
137.06084	1.1
145.01529	3.5
145.03299	5.5
168.98212	3.0
208.97705	1.7
228.83514	0.6
300.02728	2.0
315.01984	0.7
315.05136	2.8
315.08487	0.7
315.22070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0512
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
59.01396	0.4
61.98844	0.9
65.00327	10.1
68.99841	0.4
71.62074	0.7
73.01205	1.5
79.95736	2.4
80.96530	2.9
83.05095	0.4
89.56142	0.3
95.01463	0.4
100.71596	0.4
107.05070	0.6
108.02171	0.5
108.99328	0.6
110.00135	1.1
110.14671	0.3
111.00932	0.5
112.60487	0.4
112.93760	0.7
113.59043	0.5
124.98838	0.5
133.02957	2.7
134.03738	2.5
135.04510	2.3
136.98796	12.8
139.00406	0.8
142.99956	0.8
143.90143	0.4
145.89746	0.6
148.05327	0.6
149.99612	1.0
152.96835	0.4
156.16846	0.4
158.03711	0.5
161.01123	0.5
161.02437	0.6
164.01176	0.7
165.99094	1.5
166.99863	0.4
172.05354	0.8
173.02509	0.8
174.03253	1.2
175.03947	0.7
178.02847	0.4
179.03551	0.6
183.04503	0.7
186.03284	0.5
187.03984	0.7
188.04834	0.8
199.03998	2.6
200.04784	1.6
201.01955	3.7
201.72339	0.3
202.02734	2.1
209.80247	0.4
211.04033	0.5
213.02003	1.0
215.03493	1.1
216.04298	2.1
226.02808	0.6
227.03456	2.7
228.04236	2.9
229.01468	0.5
230.02301	0.8
232.06207	0.4
243.02979	2.2
244.03616	0.9
249.02582	0.6
255.03052	0.7
256.03879	0.7
271.02597	1.1
271.10989	0.6
272.03253	0.8
283.02609	0.7
299.02060	2.6
300.02747	100.0
301.03085	7.9
304.30447	0.4
314.98691	1.9
315.05093	55.6
316.05475	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01377	2.3
68.02556	1.0
68.99842	0.7
71.01051	0.7
71.01376	4.1
71.47897	1.2
73.02947	1.4
73.04075	0.6
74.02470	3.4
75.59631	0.6
78.95930	1.0
81.03461	1.1
81.54903	0.6
85.02950	2.7
87.00882	1.4
87.05650	1.1
88.04050	4.6
95.01374	1.2
96.96943	0.7
101.02451	1.2
102.05572	0.5
107.05025	1.3
108.02177	100.0
109.02972	29.0
110.03288	0.8
112.73454	0.6
113.02451	2.0
115.00363	1.6
116.07166	0.6
117.05595	4.5
121.02972	2.0
123.00850	0.8
123.04532	1.0
125.02544	0.9
127.05116	1.5
128.03545	2.5
129.10364	1.8
130.08749	1.7
132.02985	0.8
133.90651	0.7
134.03751	8.1
135.04523	25.6
136.03970	1.2
136.04900	1.2
139.08705	0.9
141.10393	0.7
143.11900	1.2
143.28479	0.7
145.06146	0.9
145.09846	0.7
151.03972	1.8
152.01151	65.4
153.01945	31.6
154.02351	1.1
163.03955	1.3
165.01929	1.5
169.09819	1.1
186.12605	0.9
187.10847	0.9
196.14542	0.8
200.14021	4.4
201.12462	1.0
211.14456	0.7
214.15628	0.9
225.04059	0.8
226.12000	1.7
228.17270	0.9
272.16187	2.4
279.34924	0.6
281.11499	0.8
286.17755	0.9
298.14081	1.6
315.07214	73.8
315.16702	4.7
315.20093	1.0
316.07602	5.4
316.15118	5.6
316.18860	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	314.8652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29620	0.4
59.01388	2.5
69.62315	2.8
73.91813	0.3
74.99080	0.4
75.89181	0.3
78.95904	1.1
79.95755	0.7
96.95997	1.5
111.46723	0.4
134.96092	3.3
136.94009	19.4
137.94106	1.4
138.93732	0.8
151.92732	1.7
152.91754	0.9
178.95073	10.9
179.95126	1.3
194.92715	1.5
198.90581	0.5
212.88547	0.6
216.89462	2.0
234.90680	0.7
243.86082	0.7
263.84866	1.2
270.87390	3.0
272.85443	96.0
273.85538	6.2
287.84152	21.5
288.84265	1.4
288.88565	5.9
289.88593	0.6
290.86517	40.2
291.86646	2.7
296.86389	1.2
297.86493	0.5
305.85190	3.3
314.86496	100.0
315.86578	7.5
316.84277	2.9
332.87582	16.1
333.87671	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	314.27
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
58.00591	4.1
59.01138	0.5
59.01381	6.1
64.29630	0.5
69.03465	0.4
70.04662	1.7
71.01371	1.1
72.00903	0.5
72.99303	1.6
73.01171	0.5
73.02931	1.2
77.13784	0.5
79.52045	0.4
84.02156	0.7
98.19901	0.6
120.55952	0.5
121.66379	0.4
132.08742	0.4
165.05505	0.5
223.20650	1.4
225.22214	18.2
226.22554	1.4
234.22250	1.1
236.23476	0.5
247.58812	0.5
248.23807	5.7
249.96019	0.5
252.23320	19.1
253.21599	6.2
253.23792	1.2
255.23277	40.3
256.23621	3.1
264.23260	1.5
266.24780	0.7
268.22800	0.9
276.23318	1.0
314.26996	100.0
315.27316	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	314.2702
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
59.01384	5.6
72.28802	1.0
73.01167	1.0
74.06112	1.4
90.75478	0.8
106.26201	1.0
122.52711	1.0
126.49488	0.9
134.93004	0.9
225.22272	1.3
230.46701	1.7
252.23363	2.0
253.21774	2.4
255.23189	5.3
268.26456	1.8
272.23169	1.4
300.02786	3.2
307.04163	0.9
314.27020	100.0
315.05081	3.4
315.19601	2.5
315.27478	10.9
339.14471	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	313.2385
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
57.03454	1.0
58.00584	2.5
58.13695	0.5
59.01385	1.0
65.83830	0.4
70.96243	0.6
71.09074	0.7
71.09411	0.6
73.02949	0.5
89.22229	0.4
89.25363	0.5
97.06585	0.6
100.01890	0.5
123.08143	0.6
125.09721	5.7
127.11301	11.0
137.09712	1.6
139.11301	1.3
147.15662	0.5
155.10767	3.5
157.12350	1.1
164.14215	0.5
165.09229	4.4
171.10271	10.8
183.10265	1.7
199.09744	2.6
201.11320	57.6
202.11687	3.4
213.98129	0.5
225.22226	0.9
252.23315	1.2
255.23227	1.5
277.21738	6.1
278.22180	0.7
295.22729	4.8
313.23837	100.0
314.24142	10.5
314.27139	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	314.2086
Annotation	Ile Ile Ala
Peak:m/z	Relative Intensity
55.00242	0.5
55.59059	0.5
57.42757	0.5
66.03487	0.7
71.01376	1.3
71.37141	1.0
74.02473	0.8
76.66571	0.4
79.28426	0.5
79.93966	0.7
81.53082	0.5
82.06618	1.9
88.04047	100.0
89.02438	0.6
89.04385	1.4
90.74393	0.5
95.93451	1.4
98.02483	0.9
109.02952	1.8
114.05613	11.4
115.08784	1.0
116.07182	10.4
120.99664	1.9
128.03525	1.3
129.10342	6.6
130.08730	1.7
138.08006	1.0
139.08762	2.9
140.07181	0.7
140.10841	1.5
143.04506	0.5
152.04297	0.6
152.07082	0.6
153.01997	2.5
157.13457	10.2
167.08360	0.6
167.11835	0.7
169.09795	1.7
171.15054	3.0
186.11391	1.8
195.14969	2.7
197.12933	1.4
197.16589	4.5
199.10860	1.8
199.18289	0.7
201.12444	1.5
225.16100	16.9
225.18315	0.9
226.16394	1.4
242.18730	1.2
269.11542	0.6
270.21872	7.1
271.22064	0.8
292.31213	0.5
314.13312	2.4
314.17484	3.2
314.20844	64.6
315.07330	1.2
315.21100	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	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
51.48464	0.1
53.62012	0.2
55.25716	0.1
69.89534	0.8
77.03978	0.4
81.44746	0.1
89.33379	0.1
93.03435	0.3
121.02958	100.0
122.03291	3.6
134.03743	0.2
180.05772	1.0
181.06592	4.6
182.06905	0.3
193.05095	0.3
225.05554	6.0
226.05913	0.5
269.08289	0.3
296.25644	0.1
313.07166	14.1
313.23663	0.3
314.07486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1082
Annotation	p-Hydroxyphenethyl trans-ferulate
Peak:m/z	Relative Intensity
69.22988	0.2
69.26964	0.4
69.27374	2.0
77.03935	0.2
77.56321	0.2
79.63549	0.2
89.00710	0.2
89.03971	2.0
93.03474	0.3
95.05038	0.4
98.20619	0.5
105.03463	1.8
106.04224	0.5
107.04958	0.3
109.02930	0.2
111.00893	0.3
117.03462	7.1
118.03811	0.4
119.05032	2.0
121.02960	0.9
123.04568	0.2
132.02216	0.4
133.02954	10.1
134.03741	97.5
135.04607	6.8
136.04840	0.5
137.02440	4.8
137.81920	0.2
139.04024	1.5
147.04492	0.4
148.05272	1.1
149.06081	5.6
150.03174	0.7
150.06381	0.3
160.01620	1.2
161.02504	0.3
163.03993	1.7
175.03993	0.5
177.01901	0.5
178.02695	3.6
179.03499	8.1
180.03850	0.3
188.85721	0.2
193.05051	100.0
194.05391	5.8
298.08466	1.1
313.10791	13.7
314.11337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.03453	0.5
58.00586	1.4
59.01377	1.9
60.87661	0.4
61.98851	0.5
69.53224	0.9
69.53637	1.9
71.01371	0.5
72.99290	0.7
73.02956	0.5
89.00615	0.4
92.06900	0.5
98.20618	0.4
110.23860	0.4
112.98844	0.4
125.09753	0.9
127.11256	0.8
127.55691	0.4
129.08226	0.4
155.10768	3.2
171.10269	5.8
173.00978	0.6
189.29288	0.4
195.81389	0.4
201.11264	0.7
224.50252	0.4
225.22273	7.8
248.23856	2.9
252.23331	8.1
253.21666	2.3
255.23282	19.3
264.23129	0.9
266.24759	0.5
267.23450	0.6
277.21646	0.8
282.24326	0.5
284.26346	0.4
295.22781	8.3
296.22745	0.6
311.22253	0.9
313.23837	100.0
314.24045	6.7
314.27106	42.7
314.29831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.6
61.50480	0.4
70.18793	1.7
76.75041	0.4
77.48804	0.5
89.00673	0.7
107.05049	0.6
119.05030	7.0
120.99630	0.6
121.02973	0.6
123.04549	0.8
124.01701	0.8
132.05818	4.6
133.02960	1.1
133.05312	2.7
134.03752	5.4
135.04529	26.8
136.04024	1.0
136.04927	0.9
147.04515	7.1
148.05312	87.5
149.05658	3.8
150.03256	1.0
160.04083	0.9
161.02455	1.4
162.03185	0.7
162.05663	2.9
163.03978	0.7
170.70329	0.6
174.05569	1.5
175.02652	0.6
175.04004	0.5
176.03549	6.3
177.04289	1.9
178.05099	41.9
179.05446	1.8
181.11430	0.4
182.14723	0.4
190.05093	22.4
191.05510	1.1
192.06674	0.7
199.09735	0.4
206.04558	0.7
211.04070	0.9
235.93376	0.5
253.08641	2.3
256.30286	0.5
283.02621	0.7
296.09262	1.2
297.10062	18.2
298.04825	1.4
298.10382	1.6
312.12411	100.0
313.07123	1.2
313.12775	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	312.2546
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.54130	0.7
57.03437	0.7
57.22813	0.6
58.00593	4.9
59.01381	7.9
61.98842	1.1
65.77644	0.6
69.56010	4.5
70.02956	0.9
71.01368	2.8
72.99318	1.2
73.01155	0.6
73.02950	17.2
82.02964	0.9
84.02171	1.2
85.01667	0.6
85.02897	0.7
90.97526	0.7
92.97977	0.6
98.02451	1.6
98.20546	1.2
100.04074	0.8
112.16702	0.5
121.02940	1.7
130.05101	4.0
142.99858	5.1
144.00664	0.9
167.54752	0.7
175.64775	0.6
176.44569	0.6
178.60715	0.5
193.05179	0.9
217.01689	0.8
223.20671	10.6
224.20929	0.8
232.20903	0.9
235.20715	2.5
246.22292	4.1
250.21759	8.8
251.20192	1.7
253.19173	1.2
253.21732	19.0
254.22162	1.2
264.23325	1.2
280.22742	0.5
282.24301	0.8
292.22766	0.8
312.25452	100.0
313.07260	0.8
313.25888	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	312.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60575	0.8
56.98014	1.1
59.01382	4.9
60.97525	3.4
68.99817	6.8
69.09876	1.0
71.01385	5.2
72.97153	1.4
72.97535	21.6
72.99306	11.0
75.00862	0.8
77.61781	0.9
80.94737	0.9
84.97540	11.7
85.02968	2.0
89.02439	3.3
93.74123	0.8
95.93509	1.1
96.99325	4.8
98.00090	1.8
99.00891	2.5
100.97050	2.8
101.02440	2.1
103.81036	0.7
106.06641	4.8
107.05003	1.1
113.02443	1.9
115.00346	1.0
118.06619	2.6
119.03505	1.0
120.08195	2.6
122.06123	4.1
129.99034	1.2
130.08786	1.0
132.08141	1.5
134.06107	5.0
136.01300	1.1
136.02275	12.5
137.02971	1.0
138.03844	4.4
144.04562	0.9
145.05289	1.2
146.06119	3.9
147.01463	1.5
148.02280	1.5
148.07701	2.7
150.03804	3.1
151.04027	1.7
152.05396	8.4
152.06561	1.0
152.07126	1.2
159.02977	1.6
160.02264	2.6
160.07686	40.7
161.04556	1.0
161.08093	2.3
162.03844	3.5
162.05603	1.7
164.01723	1.7
164.07188	1.5
165.02580	2.3
174.05606	2.8
175.06355	1.8
176.07187	4.5
178.03329	9.4
179.04073	1.3
180.04893	17.5
190.03397	1.9
192.04939	0.9
192.06639	2.0
204.06654	1.8
205.02071	0.9
206.02797	9.0
208.04373	3.7
220.06244	6.5
231.04091	2.0
234.02303	37.4
235.02693	2.0
252.03355	4.3
255.02968	1.3
271.02533	1.5
280.08301	9.1
285.04053	1.6
286.04401	1.7
294.04431	18.8
295.04709	1.5
300.02847	1.9
312.05460	100.0
312.11206	3.6
313.05814	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	312.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21306	0.9
55.64282	0.8
59.01105	0.7
59.01383	14.7
60.01708	2.3
61.78005	0.9
61.98834	6.3
67.85329	0.9
69.33508	1.0
71.01381	5.4
72.99295	0.9
73.01165	1.0
73.02948	1.2
75.00854	0.9
78.95894	3.3
85.02938	2.2
87.00887	0.9
89.02444	3.7
91.22722	0.8
95.93452	1.8
96.00902	2.6
96.95991	0.9
99.00890	1.9
101.02440	3.5
107.03660	2.0
113.02400	1.6
114.03843	7.6
120.01270	5.7
122.06151	0.9
123.04529	2.1
128.75163	1.1
134.04738	100.0
135.05135	1.2
137.19826	0.8
147.79140	0.9
148.04041	0.8
149.01216	1.5
150.03229	1.3
151.03996	3.4
161.04584	1.1
179.05663	1.1
192.01585	1.5
192.06673	1.9
203.05678	1.0
218.08304	1.4
223.06097	1.2
232.05722	0.8
245.55931	0.9
251.11395	1.4
252.11661	1.9
266.08881	3.7
269.34070	0.8
277.08340	1.3
285.03894	1.3
291.71890	0.8
311.29352	1.0
311.99216	4.0
312.10968	2.1
312.98608	1.9
313.09201	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.82365	0.6
57.03446	2.1
58.00597	5.5
59.01383	4.0
69.03461	0.9
69.77603	3.7
71.01371	1.6
73.02943	2.9
81.02203	2.4
84.22665	0.9
85.02940	2.0
97.06601	1.1
99.00857	1.4
99.08150	0.9
99.89272	0.8
109.06601	0.8
112.98815	8.3
121.10239	1.0
125.09733	3.7
127.07661	3.0
127.11301	7.1
137.09796	1.2
139.11287	1.3
142.99838	2.8
155.10844	3.9
165.09195	2.8
171.10284	6.3
173.00929	9.2
174.01616	1.3
175.48247	0.9
181.12372	2.6
183.01172	1.4
183.10339	1.9
183.13902	10.4
195.14014	0.8
197.11842	1.7
199.09718	1.2
201.11316	46.0
202.11653	2.9
211.13443	1.5
211.20714	1.1
213.14903	3.3
223.13333	1.0
225.22234	2.2
239.20224	1.7
241.14401	2.4
241.21797	5.4
247.02776	1.1
253.21742	5.1
255.23170	1.8
264.23346	14.1
267.23306	1.4
275.20135	5.5
282.24377	1.7
293.21198	7.9
311.22272	100.0
312.22470	9.9
312.25021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66360	0.3
59.01394	0.4
60.13631	0.3
71.38676	0.3
79.95715	1.5
98.95635	0.4
119.05000	1.4
142.13426	0.3
155.98898	0.2
170.00426	2.0
183.01205	58.3
183.42451	0.3
184.01675	2.8
197.02734	1.3
215.65080	0.3
216.00969	0.9
225.05882	1.1
230.02519	0.3
239.07520	0.5
247.20708	0.6
311.16855	100.0
312.17163	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	311.1863
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
51.44579	0.4
59.01293	1.9
64.16993	0.5
70.62139	1.4
71.01290	1.4
73.02847	1.3
83.04958	0.8
91.01810	1.0
97.06511	0.9
98.20552	0.5
99.00793	1.7
111.00814	0.5
112.98791	5.8
117.28461	0.4
121.02882	1.3
122.03683	0.9
135.00912	2.6
139.83957	0.6
142.99747	2.1
144.18878	0.5
145.92059	0.5
163.07581	0.5
167.14297	1.6
173.00879	7.5
174.01526	1.5
183.01167	0.6
192.93756	0.6
193.15900	0.8
207.17499	1.2
223.20665	2.3
233.15434	0.5
247.02763	1.2
249.18552	5.7
250.21526	0.5
253.21690	1.4
267.19635	100.0
268.19958	8.6
275.16522	7.8
276.16644	0.7
293.17578	35.8
294.18018	3.1
311.18680	32.1
311.22260	4.7
312.19135	2.5
312.25433	5.1
332.69208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03430	3.8
59.01374	15.4
69.01569	2.7
71.61190	4.3
74.70353	2.4
74.76760	2.7
93.48253	2.7
96.93783	2.4
101.02419	3.2
112.98800	2.7
117.05735	2.8
127.11282	5.8
135.45769	2.6
139.11285	12.9
142.99829	3.3
146.68069	2.8
155.10719	3.4
166.14584	2.6
171.10255	60.6
173.00911	5.4
179.30734	2.7
183.01265	12.5
183.10262	3.8
185.11862	8.0
201.11301	7.3
275.20251	2.7
293.21255	24.0
296.06805	5.0
311.09323	6.0
311.13330	5.4
311.16830	20.6
311.22278	100.0
311.29575	12.4
312.22641	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.96074	0.8
52.21495	0.7
54.30856	0.7
57.03441	1.5
59.01375	6.7
69.37151	3.3
69.37581	3.6
71.01370	2.3
73.02928	1.7
78.93933	0.8
86.99820	0.8
99.00891	1.0
110.88457	0.8
112.77518	0.8
112.98812	4.3
125.09727	2.3
139.11269	1.4
141.12848	2.4
142.99844	1.9
171.10266	37.3
172.10617	2.3
173.00902	3.4
183.01198	1.1
183.10269	2.9
185.11786	1.0
193.93256	0.9
211.13359	1.0
223.20714	1.2
228.26242	0.8
250.21896	1.4
253.21722	2.4
263.20163	5.3
264.20343	0.8
275.20117	9.1
293.17880	1.6
293.21225	29.6
294.21658	3.3
296.06796	1.3
297.34311	0.8
311.22275	100.0
312.22495	7.4
312.25491	12.3
316.54724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03443	1.4
58.00602	1.2
59.01381	34.9
61.98847	1.0
69.03446	0.8
69.67330	1.4
69.67741	3.7
71.01383	23.6
72.99319	2.7
73.02947	3.1
75.00868	1.1
83.01381	5.2
84.97516	0.7
85.02948	7.4
87.00883	2.2
89.02452	12.8
95.01388	2.9
96.99287	1.2
97.02987	1.3
99.00871	1.9
101.02445	16.7
113.02458	9.4
118.80337	0.7
119.03495	7.1
131.01723	6.0
139.96895	0.6
143.03517	0.8
148.05325	1.1
149.02785	48.1
150.03165	1.0
159.04510	0.6
160.07635	2.1
161.04535	1.8
175.02429	0.9
189.05562	1.7
189.84044	0.6
191.03864	2.7
204.59354	0.6
215.05563	3.2
216.57761	0.7
227.03413	0.7
234.02299	1.5
255.03149	1.0
284.03235	1.9
285.04065	2.4
311.08047	100.0
312.05402	4.6
312.08466	5.4
313.64017	0.7
332.75537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25687	0.8
59.01384	100.0
60.01699	2.1
71.01383	7.1
71.60804	1.7
73.02950	3.3
78.96825	1.5
83.01373	1.3
85.02957	4.3
87.00881	1.1
89.02440	1.3
89.61829	0.9
94.18433	1.0
96.95958	0.9
101.02427	5.2
105.64259	1.0
113.02435	4.4
122.46393	1.0
146.93979	0.9
147.04492	6.1
159.03009	1.3
159.17978	0.9
161.04527	3.7
169.03941	1.2
175.02458	1.5
178.05139	1.1
269.10229	3.8
311.06107	1.0
311.11240	2.3
311.22092	1.5
311.29407	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	311.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01376	1.8
63.94461	18.6
63.96235	0.9
71.01386	1.7
71.61257	0.4
73.02950	4.1
78.96815	100.0
79.96748	0.8
79.97150	0.3
81.32294	0.2
83.01402	0.4
85.02951	1.9
85.51759	0.2
86.79153	0.3
87.00878	0.6
87.04510	8.1
95.01389	4.1
97.06577	0.4
99.04520	0.8
101.02425	0.4
111.00892	0.6
113.02445	0.7
115.04011	30.1
116.04314	0.9
123.04515	0.7
123.08376	0.2
125.02422	0.3
125.06097	0.3
127.04018	0.3
139.04013	0.3
147.04498	1.3
151.04012	0.6
160.48099	0.2
169.05034	1.9
175.02530	0.4
187.06100	4.8
188.06496	0.3
293.01746	0.5
311.02634	13.6
311.10959	0.7
312.02908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92846	0.3
55.01893	0.5
57.03445	1.1
57.85875	0.2
59.01389	3.4
61.30495	0.3
63.94465	19.5
63.96240	1.3
69.03465	0.3
71.00993	0.5
71.01385	8.9
71.05002	0.4
71.60629	0.4
71.61054	0.3
72.99317	0.5
73.02950	2.0
75.00878	0.4
78.96819	100.0
79.93987	0.4
79.96754	0.8
79.97165	0.5
81.03461	1.0
83.01382	1.0
83.05062	0.4
85.02956	7.2
87.00887	1.7
87.04510	4.3
89.02438	0.7
95.01391	1.4
97.02955	0.4
99.00886	1.3
99.04530	4.9
100.12551	0.4
101.00719	0.4
101.02451	2.1
109.02954	0.5
111.04503	0.6
112.93791	0.3
112.98819	6.6
113.02451	11.0
115.00391	3.3
115.04015	3.3
117.01845	0.4
123.04540	0.4
125.02455	0.5
127.04012	8.7
134.03741	2.0
139.04008	0.4
143.03503	4.5
149.06081	2.7
153.01903	1.3
165.03958	0.4
169.05017	0.5
171.02998	6.7
175.02596	0.6
203.05582	2.6
213.04002	0.4
217.01801	3.7
231.05144	1.9
245.55951	0.3
284.03198	0.4
285.04095	1.2
300.02875	0.4
311.02643	20.4
311.11386	1.1
311.14804	0.5
311.29364	0.7
312.02890	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	310.9725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90715	1.6
52.02221	1.8
53.89430	1.6
57.03442	3.8
59.01377	12.1
71.01374	11.5
82.72552	1.8
83.01391	5.6
83.05080	1.9
85.02445	1.8
85.02964	5.5
99.00878	23.4
101.02440	2.3
109.02953	1.6
110.15983	1.7
111.00871	10.0
112.98808	71.5
113.99144	2.5
115.00398	2.7
124.98807	3.1
127.34821	1.7
129.01918	3.7
142.99860	36.3
145.01440	3.1
165.90083	1.8
173.00916	100.0
173.37592	1.6
174.01698	21.9
224.22948	1.7
245.01129	2.1
247.02771	11.1
310.97192	2.9
311.09323	2.4
311.22821	1.7
311.29401	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	310.9723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87877	0.6
52.47756	0.6
55.01876	0.9
56.36497	0.6
57.03435	3.2
59.01380	5.9
61.98824	2.5
64.95251	4.2
68.99812	1.2
69.43799	5.5
70.99622	0.9
71.01379	12.0
72.99321	1.1
73.01182	0.9
73.02930	1.2
83.01392	4.4
85.02957	4.8
87.00889	1.4
95.33865	0.7
97.02930	0.9
99.00882	25.5
99.08179	0.7
100.01176	0.8
101.02431	1.6
111.00879	8.1
112.61890	0.6
112.98812	77.4
113.99161	1.1
115.00356	2.7
124.98837	2.3
129.01939	3.0
129.31631	0.6
141.01976	1.3
142.99861	30.8
144.00201	1.1
145.01439	4.2
155.03482	0.7
173.00909	100.0
174.01659	12.3
175.02475	1.0
197.11893	0.8
211.13411	1.7
215.05615	1.1
245.01180	4.7
246.01564	0.7
247.02818	16.2
277.01700	0.7
293.21027	1.7
296.07034	1.0
310.20874	0.6
310.97302	2.4
311.09094	1.1
311.22272	6.9
311.29526	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	310.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.1
59.01377	5.2
71.01379	6.9
71.38024	1.8
73.02950	1.8
80.55239	0.9
83.01381	3.4
85.02946	3.3
87.00878	1.7
88.46997	1.2
89.35658	1.1
95.26331	1.2
99.00879	23.3
100.47561	1.0
111.00860	6.8
112.98819	67.7
113.99119	1.8
115.00352	3.9
124.98784	2.2
127.00378	2.0
129.01933	3.2
131.44270	1.0
138.74815	1.2
142.98822	2.1
142.99876	33.9
144.00197	1.3
145.01407	3.9
173.00920	100.0
174.01718	10.1
175.02466	1.1
182.84058	1.2
245.01219	3.7
247.02791	12.0
248.02786	1.2
261.76639	1.1
310.97168	1.9
311.22284	4.8
311.29453	1.4
333.90540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23590	1.2
57.03448	5.4
59.01367	5.1
71.01366	8.7
71.37660	2.1
73.02917	2.5
83.01383	3.6
84.95595	1.0
85.02945	3.5
85.18378	1.2
87.00869	1.7
90.72433	1.0
93.95426	1.5
94.12640	1.0
99.00883	25.8
111.00879	6.9
112.98815	84.3
113.99154	2.3
115.00346	5.1
124.98839	1.4
129.01915	2.7
142.99864	34.1
145.01433	3.9
171.10219	1.3
173.00908	100.0
174.01675	13.3
198.88271	1.1
201.11438	1.4
213.21449	1.2
220.34822	1.2
245.01181	3.3
247.02794	14.3
310.21057	2.9
310.97299	2.4
311.21976	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.5
59.01380	13.8
68.26498	1.8
68.99797	1.9
70.37250	7.1
71.01374	9.2
73.02940	2.1
78.96781	2.4
83.01407	4.3
85.02951	5.3
87.00915	2.1
89.00687	3.1
94.96286	2.6
96.95933	2.2
99.00890	22.5
103.16349	1.8
111.00873	8.8
112.98810	70.6
113.99130	1.8
115.00381	2.7
115.90357	2.0
124.98830	2.1
127.47246	2.1
133.02985	2.9
142.99867	31.3
145.01436	5.1
162.17010	1.9
173.00908	100.0
174.01672	9.5
202.73260	1.9
245.01160	3.3
245.46342	2.1
247.02820	13.8
296.06573	2.0
310.97314	2.2
311.09033	3.6
311.29776	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	310.9722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.6
59.01382	6.1
63.94480	0.8
64.95251	1.0
68.99818	1.6
69.90075	2.9
69.90492	1.7
71.01379	9.3
73.02959	2.2
78.96804	2.3
79.64921	1.0
80.96523	1.3
83.01398	2.9
85.02966	4.5
87.00861	1.6
87.98316	0.7
99.00881	23.8
101.02451	1.2
111.00896	8.3
112.98816	76.9
113.99155	1.2
115.00383	3.1
124.98831	2.1
129.01933	1.6
135.04538	1.2
140.98289	0.8
142.99869	35.3
145.01416	6.6
148.05305	2.3
151.04018	0.8
169.89485	0.8
173.00912	100.0
174.01662	12.3
175.02350	1.2
178.05055	1.7
187.82533	0.9
205.05135	1.4
245.01219	5.0
247.02786	13.7
251.35565	0.8
310.97272	3.1
311.09729	1.2
312.12305	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03440	5.7
57.26507	2.6
59.01374	9.5
80.02666	4.5
80.42237	2.5
80.96522	5.8
82.48760	2.9
83.01381	9.5
83.05027	4.3
87.36801	2.4
96.96039	3.1
97.06598	3.8
99.00886	5.6
108.02181	2.8
123.08134	5.0
125.06111	2.6
125.09731	13.2
127.11322	4.0
137.09692	5.7
139.11276	9.6
141.09320	2.5
150.84134	3.0
151.03993	8.5
151.07648	24.9
152.08438	14.2
155.10779	12.9
159.41583	2.4
163.11307	5.9
165.12851	14.3
167.10706	3.6
171.10258	25.5
181.12474	3.5
183.01208	5.2
184.07410	2.9
185.11842	28.5
191.10687	3.3
193.12401	2.7
193.15997	3.2
208.10960	2.6
209.02715	3.1
209.11821	46.6
209.15410	23.4
229.09770	3.2
247.20667	10.5
252.09975	4.7
265.18033	7.9
265.21701	4.6
273.18683	4.3
281.21234	6.2
285.87253	2.6
291.19647	100.0
292.19907	9.3
309.03897	3.6
309.15030	20.4
309.17126	32.9
309.20715	42.0
310.17725	3.7
310.20844	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	310.9723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93557	0.9
57.03451	3.2
58.00579	2.0
58.72228	1.1
59.01371	7.9
60.21883	1.1
68.99818	1.3
70.35579	3.6
71.01389	9.1
73.02950	2.3
83.01388	3.9
85.02961	3.1
96.99314	1.2
98.23690	0.9
99.00885	23.6
101.02415	1.1
111.00871	8.5
112.98811	72.5
113.99165	1.2
115.00363	4.1
124.98781	2.7
126.54073	0.9
127.00401	1.3
129.01956	1.9
142.99864	39.7
144.00192	1.3
145.01450	5.0
156.05940	0.9
171.10283	5.8
172.10638	4.9
173.00908	100.0
174.01682	14.1
175.02470	1.0
183.01299	1.8
183.13861	3.1
185.11856	1.1
186.12166	1.2
213.15063	1.2
241.14468	1.3
245.01183	3.2
247.02893	7.1
274.18887	1.1
291.01001	1.0
292.20142	1.5
293.17880	0.9
293.21216	1.7
296.06747	1.4
310.21066	3.0
311.16818	1.3
311.22250	14.7
311.29611	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01865	0.8
58.00589	0.7
59.01380	41.0
61.92782	0.6
62.50570	0.6
62.53479	0.6
69.96668	1.6
69.97070	1.7
71.00990	1.2
71.01380	20.7
71.05025	6.2
72.99300	2.4
73.02975	3.1
73.06586	1.4
78.95888	1.1
83.01382	1.9
84.04527	0.7
85.02941	4.3
85.06595	1.5
86.84518	0.7
87.00873	0.8
89.02446	18.2
95.01368	1.8
99.00862	0.8
101.02448	11.6
101.06078	14.9
102.82475	0.7
113.02455	6.9
119.03495	8.3
129.05585	7.2
130.08737	4.7
131.07179	0.9
147.06636	47.7
148.06999	1.6
161.04604	0.8
179.05585	1.0
180.06645	1.6
189.07713	1.3
199.26019	0.6
309.11905	100.0
310.12225	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	309.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99603	0.7
59.01385	23.9
61.98835	0.8
64.67506	0.7
71.16772	1.8
79.95750	2.3
80.96513	1.5
92.67958	0.7
96.96022	19.5
99.92609	0.9
114.15759	0.7
122.97525	0.9
151.04042	2.6
151.07668	4.6
152.08409	2.9
175.54640	0.9
184.07449	0.9
185.48354	0.8
193.08783	0.8
202.35274	0.7
209.15460	6.0
210.15891	0.9
216.71169	0.7
227.20178	100.0
228.20508	8.7
252.09950	1.2
309.17264	31.0
309.20560	16.4
310.17490	1.9
310.20853	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
57.03436	1.9
58.00583	1.5
59.01377	1.8
59.38225	1.0
68.25451	1.1
71.60903	1.6
73.02956	1.3
79.90907	1.0
111.08159	30.4
114.94115	0.9
127.07623	3.1
137.09647	1.0
151.04019	1.7
151.07620	1.7
151.11230	1.9
152.08368	2.3
153.09334	1.1
153.12816	1.2
169.12318	5.7
171.10223	3.5
181.12323	2.8
183.13918	1.5
183.31557	1.1
197.11824	100.0
198.12155	6.2
199.13365	4.4
209.15413	4.6
211.13385	10.7
227.12811	3.1
263.20135	7.6
265.17987	3.6
273.18570	2.2
291.19662	20.9
292.19922	1.7
309.17014	7.3
309.20630	38.3
310.20950	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	309.2072
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03456	0.9
59.01369	2.5
61.98817	0.9
70.40199	2.9
82.63504	0.7
88.91073	0.7
89.98811	0.7
97.06587	1.5
99.00903	0.9
101.98413	0.8
113.09704	2.6
115.07676	1.0
125.92411	0.9
141.09219	1.9
151.04030	1.8
151.07649	3.2
152.08398	3.6
163.11293	1.0
165.12808	2.9
171.10251	1.4
181.12335	3.8
193.12346	1.5
195.13869	1.7
208.11057	1.0
209.15517	7.2
211.13408	3.8
213.15070	0.9
221.15392	1.1
229.14513	0.8
239.12796	0.8
240.13432	1.6
247.20563	4.1
252.09955	1.7
256.11285	0.9
265.18005	1.4
273.18579	3.0
279.58365	0.8
281.21243	1.5
291.19638	40.6
292.19989	3.9
309.17117	11.4
309.20667	100.0
310.17590	1.2
310.21005	9.7
319.40848	0.9
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
59.01373	5.6
61.98845	2.1
62.02325	1.9
62.51695	1.8
67.01881	2.9
68.43607	1.7
69.03427	1.8
69.87536	4.1
69.87958	6.9
71.05011	3.1
77.63180	2.0
80.02673	6.5
80.96525	2.4
81.03465	3.4
83.05024	17.4
84.02176	6.4
90.83228	1.8
96.96014	5.4
97.06587	3.3
99.00892	2.2
99.08171	8.3
109.06590	2.0
115.07648	2.4
123.04536	2.2
125.09716	4.6
127.11253	4.3
137.09711	30.8
139.11296	5.3
147.21393	1.7
150.57695	1.6
151.04008	10.0
151.07666	18.1
151.11292	2.5
152.08472	9.7
153.09184	5.0
155.10783	29.8
165.12840	2.6
167.10771	3.5
171.10248	28.8
184.07352	3.0
193.12292	15.7
195.17371	1.7
208.11163	2.0
209.11903	11.4
209.15469	25.0
210.15799	2.0
211.13380	3.2
223.16948	9.8
237.06004	1.8
247.20691	4.4
251.16403	3.5
252.10037	3.5
263.20041	5.3
265.18106	7.1
265.21674	4.7
281.21326	1.7
291.16461	1.3
291.19641	55.9
292.19934	5.8
309.17056	44.3
309.20706	100.0
310.17682	2.3
310.21118	8.7
316.49948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26012	1.1
59.01371	5.2
64.07487	1.3
70.05431	5.6
71.01387	23.7
72.99319	2.4
80.96504	3.1
87.00894	2.3
89.02444	3.7
89.03951	1.5
99.08181	2.3
112.82275	1.4
113.02525	1.5
115.00381	41.6
116.00650	1.4
117.03456	3.9
133.01433	90.0
134.03740	100.0
135.04044	4.5
142.03802	1.1
145.03008	1.9
145.08710	5.0
146.08215	3.1
149.06088	3.0
167.03452	2.0
175.02510	4.8
193.05049	75.3
194.05409	4.6
237.02716	1.2
267.40552	1.3
309.10928	3.0
309.14481	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	309.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26012	1.1
59.01371	5.2
64.07487	1.3
70.05431	5.6
71.01387	23.7
72.99319	2.4
80.96504	3.1
87.00894	2.3
89.02444	3.7
89.03951	1.5
99.08181	2.3
112.82275	1.4
113.02525	1.5
115.00381	41.6
116.00650	1.4
117.03456	3.9
133.01433	90.0
134.03740	100.0
135.04044	4.5
142.03802	1.1
145.03008	1.9
145.08710	5.0
146.08215	3.1
149.06088	3.0
167.03452	2.0
175.02510	4.8
193.05049	75.3
194.05409	4.6
237.02716	1.2
267.40552	1.3
309.10928	3.0
309.14481	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	309.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.1
70.81777	7.9
71.05020	16.4
73.01166	3.2
79.95736	9.9
80.96474	3.8
81.95303	4.1
94.81744	2.9
97.06576	14.3
99.00886	47.3
121.10179	3.5
137.06076	3.9
137.09705	17.3
144.84915	3.0
145.89676	4.2
151.07660	7.9
152.08408	5.0
153.01993	6.0
171.10275	34.6
185.11824	5.9
207.13936	3.8
209.15465	19.7
211.13347	9.5
251.16513	15.5
265.18109	4.9
291.19666	89.5
292.20050	6.3
309.17133	12.4
309.20667	100.0
310.20984	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	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.01397	3.8
53.53819	4.6
57.03436	8.6
59.01375	27.8
61.98823	5.6
70.68739	13.7
81.03452	7.9
83.01379	4.3
95.05094	4.8
97.06577	5.5
106.04227	4.5
117.06843	4.7
121.06587	5.7
123.04535	10.2
125.09742	14.8
135.08134	10.3
137.05971	5.4
137.09726	16.4
142.17357	4.8
149.06053	4.0
163.07700	5.6
163.11308	10.5
171.10255	30.3
185.11823	47.0
191.14459	17.7
207.10245	6.2
209.11880	25.2
209.13490	4.3
225.11345	9.5
232.55643	4.2
236.35138	5.6
245.19090	41.0
253.39000	4.1
289.18091	100.0
290.18427	8.3
307.15866	4.5
307.19153	65.9
308.19400	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	307.2283
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.47322	0.3
55.51699	0.3
57.55762	0.3
71.61448	0.4
90.07390	0.3
96.96023	0.5
113.09711	0.4
115.68220	0.3
142.26570	0.3
307.22778	100.0
308.23129	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	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.41528	2.6
57.03447	11.9
59.01381	16.3
69.03439	4.9
69.48840	2.7
71.01384	7.8
71.05024	3.6
71.16518	6.8
81.03470	3.3
83.05022	5.2
85.02961	7.8
85.82162	2.7
87.05532	3.3
93.07086	6.2
97.06590	17.6
106.04243	7.5
107.08662	5.0
109.06586	3.7
111.08157	8.8
121.02939	3.9
121.06604	36.9
123.08195	6.0
125.09746	25.7
125.87239	2.9
135.08168	15.1
137.02374	3.5
137.09708	10.7
149.09740	5.8
151.07584	4.3
151.10226	3.3
151.11299	13.3
153.09196	20.1
153.12807	5.7
155.10800	8.9
163.11290	5.5
165.12808	20.2
167.10733	8.9
171.10269	74.3
179.10764	8.5
181.12288	19.1
185.11830	100.0
186.12071	3.0
191.10786	8.5
191.14427	8.9
209.11823	37.6
209.15402	3.5
211.13480	8.1
212.10535	6.1
245.19090	34.1
261.18494	11.3
263.20145	21.8
271.17041	3.2
279.19803	13.5
279.22586	2.7
289.18063	44.1
307.19165	85.6
308.19394	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03112	0.3
51.54595	0.3
54.12276	0.4
56.48884	0.3
59.01364	0.5
59.17878	0.3
59.41175	0.3
68.44715	0.3
70.37638	0.9
71.20760	0.3
74.99071	5.9
75.99014	0.4
76.14079	0.3
88.31960	0.4
91.02204	3.0
93.00121	2.9
93.47102	0.4
98.20660	0.5
102.75305	0.3
113.61587	0.3
117.58347	0.3
118.97707	0.3
149.00964	2.9
159.08469	6.6
161.06390	1.7
165.18141	0.3
192.98154	0.6
206.99692	1.2
209.01215	2.5
217.07233	0.7
223.02829	48.1
224.02930	3.7
241.03687	0.7
241.18517	0.4
289.07675	1.6
291.09106	100.0
292.09241	12.4
307.12253	3.2
309.10205	1.6
322.55502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01888	1.3
58.00587	1.9
59.01382	45.7
71.01387	22.3
72.99309	2.4
73.02956	1.5
73.59066	0.7
79.95721	1.2
83.01375	2.7
85.02956	4.9
87.00864	1.2
89.02443	20.3
95.01364	1.2
98.20647	1.6
99.08161	23.0
101.02439	12.5
112.54662	0.8
113.02454	7.2
119.03513	7.9
127.07640	4.6
129.09222	3.3
140.51836	0.7
141.09245	2.1
145.08711	66.0
146.09033	2.3
155.54660	0.8
156.96721	0.8
186.76436	0.8
187.09792	2.0
195.50748	0.7
253.68524	0.8
307.13998	100.0
308.14285	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03428	1.2
58.00594	2.2
59.01379	42.8
62.09630	0.5
64.49509	0.6
71.01387	23.9
72.99303	2.0
73.02969	1.5
75.00890	0.7
83.01395	1.8
85.02953	7.4
86.00105	0.7
86.04520	0.5
87.00884	2.1
89.02444	20.0
95.01409	1.8
96.96006	0.6
98.95573	0.7
99.00906	0.7
99.08163	25.1
100.08516	0.5
101.02448	15.9
110.79066	0.6
113.02451	9.3
113.09770	0.5
119.03498	5.6
127.07648	7.0
128.03535	1.0
129.09229	1.8
141.09248	2.9
142.22749	0.6
143.03568	1.0
143.04640	1.3
145.08710	70.3
146.09058	2.2
161.04587	1.0
179.05612	1.0
187.09750	1.6
247.22864	0.5
280.62015	0.6
307.13992	100.0
308.14297	7.6
315.40692	0.5
316.06198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03448	1.3
58.02982	1.7
59.01382	89.7
60.01723	0.9
60.49734	0.9
61.18300	0.8
64.95405	0.7
71.01382	16.9
71.60318	1.1
72.03059	0.8
73.01175	3.7
73.02956	4.8
74.02483	3.6
75.07492	0.9
78.55132	0.9
79.95741	37.8
80.96522	11.0
81.03454	0.8
83.01395	3.4
85.02957	6.4
86.02473	1.0
87.00874	2.1
87.05647	1.9
89.00690	2.3
89.02438	4.3
99.00933	1.5
99.05636	2.5
100.05977	0.9
100.81961	0.9
101.02452	15.3
101.06049	1.1
113.02440	8.4
119.03501	0.9
120.79170	0.8
120.99664	100.0
125.02400	0.8
128.03546	5.5
129.01953	1.1
129.03885	2.8
132.03091	1.2
135.04494	2.1
135.05489	0.9
138.05582	0.9
141.06650	1.0
143.04607	8.4
144.05034	3.9
145.05183	1.0
145.08612	0.9
159.03062	1.1
160.00754	1.3
161.01044	1.6
161.04568	9.5
162.62354	0.8
165.01099	1.3
168.96336	1.4
175.04013	0.9
177.79768	0.8
179.03487	2.2
180.03484	6.2
180.04910	1.7
197.15105	0.8
210.08827	0.9
211.09085	1.8
218.25916	0.8
242.98265	8.7
248.09331	0.9
254.07784	1.3
255.08061	2.2
263.03711	1.1
263.07162	2.0
265.12924	17.4
266.13202	1.3
273.09183	3.6
289.06802	1.2
307.08286	4.7
307.14328	4.3
307.16925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97546	0.6
58.02984	0.7
59.01383	11.1
69.62135	1.9
69.62546	1.0
69.97199	0.4
71.01389	1.6
73.01173	2.4
73.02966	0.7
74.02484	1.3
79.95741	24.6
80.96520	7.8
83.01396	0.5
85.02936	0.6
89.00670	1.9
89.02455	0.7
96.94228	0.5
96.95975	0.4
98.19965	0.9
99.05671	0.8
100.05952	0.6
101.02455	1.0
109.64349	0.5
112.93738	1.2
120.99660	100.0
121.99991	1.0
125.03537	0.5
128.03548	2.0
129.03883	1.3
132.03181	0.4
143.04614	2.5
144.04985	1.5
161.01051	0.7
165.01141	0.9
166.00954	0.8
168.96358	1.0
175.04074	0.5
180.03494	5.9
180.05026	0.7
184.46912	0.6
225.02248	0.6
226.18851	0.5
242.98264	8.4
254.08086	0.4
255.08263	1.0
263.03619	1.2
263.07150	2.4
273.09103	1.3
307.08090	1.3
307.13989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
59.65432	0.2
62.13348	0.2
67.18217	0.2
74.99075	6.5
87.42390	0.2
91.02200	2.9
91.28237	0.3
93.00132	2.7
98.19855	0.6
130.56827	0.3
149.00958	3.0
159.08469	7.6
161.06435	2.0
174.01027	0.2
192.98122	0.5
206.99635	1.2
209.01260	2.8
217.07190	0.9
223.02832	52.3
224.02885	4.6
225.00887	0.3
241.03767	0.5
275.05875	0.4
289.07617	1.9
291.09100	100.0
292.09238	11.8
307.12271	2.7
307.15445	0.5
308.12366	0.4
309.10120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70036	0.5
56.98039	0.5
59.84884	0.4
60.97526	1.0
73.01173	4.8
73.98306	3.7
74.99098	100.0
75.99427	0.8
87.00874	1.3
95.93454	0.6
104.98355	1.6
105.53359	0.5
131.73418	0.6
133.11610	0.5
136.28090	0.6
136.99144	65.6
137.99486	0.7
142.79846	0.5
219.10597	1.0
232.26511	0.5
307.12262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04926	0.5
57.03450	1.5
60.01395	0.6
61.01024	17.5
69.03471	0.9
70.80812	1.1
72.42064	0.4
73.02967	0.7
74.56725	0.4
85.02957	1.3
86.98683	0.4
87.00880	0.7
87.04514	2.3
89.02460	2.8
99.02599	1.5
101.02442	2.5
113.04160	3.0
114.02453	0.4
114.73195	0.5
115.02088	18.0
127.45242	0.5
129.03651	2.2
131.03468	1.0
140.97739	0.6
149.04517	3.1
156.03423	0.5
157.03136	38.7
158.03439	0.8
174.04626	0.6
175.04190	37.4
176.04594	1.3
229.05280	0.7
236.09532	0.4
245.08372	1.3
247.06297	1.9
307.08432	100.0
308.08844	6.8
329.18884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.7
59.01374	1.8
60.50658	0.6
60.97530	1.7
70.72646	2.0
71.01368	0.9
73.01160	2.8
73.98331	3.7
74.02466	3.2
74.99099	100.0
75.02791	0.6
75.99435	0.8
76.46121	0.6
79.95728	3.1
80.96514	6.8
81.50408	0.6
82.02982	0.7
86.02482	1.0
87.00905	0.9
87.05654	1.0
89.02454	0.8
96.96013	1.0
99.05641	1.9
104.98331	0.7
112.93755	1.1
128.03569	4.3
129.03891	3.4
136.99146	68.8
137.99474	1.1
143.04619	6.4
144.05017	3.6
152.96869	1.9
160.00731	1.8
161.00954	0.8
161.04500	0.6
168.04955	0.6
177.03337	0.7
179.04645	1.1
180.04965	1.5
198.05919	0.7
210.08804	0.6
211.09227	1.0
212.17036	0.6
255.08131	1.6
273.09219	3.1
307.08060	3.4
307.11508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
55.31685	0.6
58.02977	14.5
59.01382	24.7
63.96257	0.8
66.03490	1.5
66.65633	0.6
68.05049	0.8
69.50816	4.6
70.02975	2.5
71.01390	6.9
72.00912	2.5
73.01173	1.7
73.02955	0.9
74.02474	30.1
74.99104	0.8
79.95740	17.5
79.96187	1.2
80.96525	5.6
81.04575	1.6
82.02978	4.6
83.05023	0.8
84.04532	1.2
85.02969	3.4
86.02476	12.0
86.06116	0.7
86.99100	1.9
87.05642	12.6
87.06136	1.2
89.02459	2.0
90.00191	4.3
96.96016	1.0
97.04070	4.8
98.06170	0.8
98.19817	1.2
99.05640	23.4
100.00395	0.8
101.02435	4.4
101.06099	0.7
101.07215	4.0
102.05614	2.4
107.06139	1.6
107.99285	0.7
109.04082	5.1
109.07696	1.2
111.05640	2.1
112.04014	4.0
112.93736	2.8
113.02455	1.6
113.03584	2.1
113.07207	1.0
116.01760	1.2
120.01250	3.7
120.99657	35.1
123.05656	3.7
124.04040	2.3
125.03592	2.6
126.02036	0.9
127.05149	5.2
128.03543	72.3
129.03876	2.3
131.04636	2.8
135.04628	1.3
135.05673	5.7
137.07220	2.5
141.06714	7.3
143.04628	100.0
143.90123	1.7
144.04967	2.5
145.06187	4.3
146.04591	9.1
153.06705	7.0
155.08273	1.2
157.60342	0.7
160.00739	27.9
161.01129	0.8
161.04550	2.2
166.09840	3.3
167.04613	6.8
167.08252	3.0
169.80887	0.6
170.03305	1.3
171.04100	1.1
171.07753	1.2
177.03423	9.2
179.04626	20.9
180.03482	2.0
180.04906	0.8
180.07797	0.9
181.06209	2.2
184.10866	1.2
185.05688	4.0
192.07787	1.5
197.05612	4.8
198.08849	1.9
199.07277	1.0
210.06808	1.4
210.08839	20.9
211.09218	0.9
228.09869	1.4
231.04428	1.5
242.07800	3.0
242.98221	4.0
254.07809	27.6
255.08105	1.5
258.33670	0.7
265.12891	6.9
272.08868	35.1
273.09186	1.9
288.06674	7.2
298.60196	0.6
305.96091	1.1
306.07663	42.7
307.07962	2.4
307.13971	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	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.3
61.98830	100.0
62.98550	0.2
63.74130	0.2
63.89838	0.2
70.75542	0.5
70.75864	0.4
108.36086	0.2
130.67268	0.3
161.98932	1.1
162.98471	0.5
163.98662	0.5
164.96388	63.5
165.96472	3.4
206.97437	24.3
207.97559	1.7
220.19186	0.3
264.96500	0.4
276.21002	0.3
306.97528	19.3
307.97638	2.3
313.36270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	28.3
61.01019	16.2
61.03238	4.1
61.98826	11.0
65.22461	3.7
68.10337	3.8
71.01380	16.1
71.59806	4.2
72.99313	4.6
73.02946	5.4
79.95770	6.3
82.02985	4.8
85.02960	6.2
87.00879	7.6
87.92541	4.4
89.02433	7.0
99.00854	5.0
101.02436	11.8
111.02018	18.5
112.19867	3.9
112.46149	4.0
113.02439	8.4
115.00351	5.2
115.02100	10.5
120.99672	4.1
123.94627	4.8
124.04086	4.3
128.03494	10.1
129.03783	4.7
132.98152	6.0
135.04517	4.9
136.04036	5.2
143.04622	4.1
145.06190	5.4
149.04520	5.8
153.03049	19.9
157.03133	37.4
164.07146	8.5
175.02713	7.2
175.04143	34.8
198.38196	5.4
247.01346	5.8
271.05731	17.7
307.03552	8.5
307.08414	100.0
308.08640	9.1
308.12097	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	305.9603
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95268	1.0
69.71629	1.2
69.72034	2.2
70.78812	0.6
73.01176	1.2
74.00694	0.9
74.02489	0.8
79.93951	7.0
79.95742	100.0
80.94755	0.9
80.96520	25.3
99.05640	0.6
112.93741	48.4
114.03812	1.1
120.01257	46.9
121.01585	0.7
136.00726	0.8
142.05029	0.6
143.04646	1.7
143.90163	35.1
144.90947	30.2
160.04390	1.7
170.92508	2.2
184.93982	3.0
191.94063	0.7
192.01482	0.6
199.96962	2.1
218.92821	4.0
221.00249	0.7
226.00414	0.9
241.99858	7.4
290.85184	0.7
305.96066	35.0
306.07733	1.0
306.96286	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	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
50.13465	0.8
58.02971	13.6
59.01379	1.6
59.11683	0.9
61.98845	1.1
69.98057	3.6
70.02980	2.2
71.01387	1.0
72.00924	2.6
74.02071	1.9
74.02472	26.7
78.96762	1.0
79.95721	1.9
80.96499	1.8
81.04592	1.1
82.02986	3.9
83.02446	0.9
84.04552	1.5
85.04060	1.2
86.02473	12.3
86.06125	1.5
86.99115	2.5
87.05639	13.1
88.04020	1.0
89.00684	1.1
90.00186	3.2
95.25602	0.8
97.04064	3.5
99.05641	26.0
100.00419	1.4
101.07207	4.2
102.05611	3.7
107.06161	1.1
109.04068	3.2
109.07709	1.1
111.05639	2.5
112.04057	2.9
113.03548	1.8
113.07224	1.1
116.01791	1.8
120.01241	1.0
123.05631	2.4
124.04037	1.0
125.03563	2.6
127.05110	3.6
128.03539	67.8
129.03906	1.5
131.04633	2.7
135.05605	4.6
141.06706	7.0
143.04622	100.0
144.05057	1.7
145.06204	4.7
146.04593	9.3
152.05444	2.2
153.06729	5.9
154.89767	0.9
159.99463	1.7
160.00726	26.8
166.09866	4.2
167.04622	8.6
167.08290	1.9
171.07745	1.5
177.03372	9.7
179.03163	1.7
179.04616	20.6
180.07913	0.9
181.06129	3.6
184.10901	1.0
185.05646	3.8
192.07794	1.6
197.05663	3.0
198.05925	1.4
198.08740	1.9
210.08826	20.2
211.08990	1.2
213.03406	1.3
228.09901	2.6
242.07704	1.6
254.07811	27.3
272.08865	31.2
273.08911	0.9
280.30411	0.9
288.06625	7.5
306.04568	1.4
306.07632	37.3
307.07938	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	306.0768
Annotation	Glutathione
Peak:m/z	Relative Intensity
53.68220	0.8
54.26069	1.0
58.02975	12.6
59.01360	1.4
60.52649	0.8
66.63571	0.8
68.05034	1.3
69.26186	8.1
69.26589	1.5
70.02972	1.6
71.01392	1.7
72.00895	1.6
72.04560	1.0
73.01180	12.6
74.02473	30.4
74.99103	1.5
80.96497	1.0
81.04580	1.1
82.02986	3.8
84.04556	1.7
85.04077	1.2
86.02486	10.4
86.06120	1.2
86.99110	2.6
87.05640	31.3
90.00198	4.1
95.93465	1.4
97.04080	16.5
99.05643	22.8
101.07221	3.9
102.05606	2.7
104.98388	4.0
107.06114	0.8
109.04066	4.6
109.07654	1.0
111.05660	1.9
112.04040	2.9
113.03582	9.0
115.05154	1.7
116.01752	1.6
120.01269	1.2
123.05642	2.4
124.04033	1.4
125.03558	2.5
127.05139	4.4
128.03546	70.4
129.03940	1.4
131.04616	2.8
135.05670	5.1
137.07166	1.4
139.05104	1.0
140.04640	2.3
141.06703	6.5
143.04631	100.0
144.04938	2.6
145.06187	4.8
146.04588	7.9
153.06737	5.8
158.05745	4.6
160.00739	25.2
161.00980	1.2
166.09824	3.0
167.04613	6.0
167.08241	2.7
168.98192	1.1
171.03957	1.0
171.07736	2.2
177.03406	9.9
179.04631	20.5
180.07628	0.9
181.06218	4.0
184.10889	1.7
185.05728	4.6
191.11945	1.1
192.07823	1.4
197.05719	3.3
198.08858	1.6
210.08862	21.8
211.04916	0.8
242.07779	2.4
242.96619	1.0
244.10889	17.9
249.40622	0.9
254.07822	27.0
255.07895	1.4
262.11942	9.9
272.08871	33.8
273.09357	1.5
288.06589	6.7
306.07657	42.6
306.10880	3.6
307.07983	2.5
307.12003	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86514	1.1
53.22621	1.0
58.02977	40.5
63.07674	1.1
70.47709	2.7
70.48107	2.3
79.96071	1.0
87.37346	1.0
94.98479	1.2
97.41032	1.0
104.09783	1.1
136.52383	1.1
139.03156	1.0
168.13942	100.0
169.14293	4.9
212.12885	3.7
261.02863	1.2
304.19455	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
57.83127	1.0
59.01364	1.3
69.29050	1.0
69.33469	1.1
88.95121	0.9
90.32901	0.8
92.62236	1.0
98.19854	3.0
103.34632	1.1
121.92467	1.1
189.94275	1.1
229.33339	1.2
239.31328	0.9
280.08533	1.0
305.24838	100.0
306.25208	11.9
309.89236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	1.9
58.99586	0.6
59.01378	0.5
59.99126	0.4
63.55820	0.4
66.03494	1.1
69.50628	2.9
70.02983	0.7
71.01387	1.1
71.99139	1.4
72.00916	3.3
72.99935	0.4
73.04077	2.5
73.97066	0.8
74.00703	9.1
74.02476	14.3
75.06738	0.4
81.04604	1.9
82.02987	10.9
83.03308	0.4
84.04551	1.3
85.04079	9.3
85.04561	0.8
85.92378	0.4
86.02484	5.9
86.99107	0.9
87.05648	3.3
87.98614	0.5
95.02522	0.8
95.93517	0.6
96.04549	1.0
96.96030	1.9
97.04081	29.8
98.00692	0.7
98.02478	1.2
98.04396	0.7
98.20689	0.7
99.05645	4.9
100.00412	20.2
100.04053	1.5
102.00201	15.2
102.05623	0.9
104.98919	0.6
105.99693	30.0
107.06146	2.3
109.04109	3.2
111.02027	0.4
111.05670	0.8
112.04059	0.9
113.03585	4.0
113.07215	1.2
113.62269	0.4
114.00204	4.1
116.01759	3.9
117.01316	0.4
118.06646	0.6
121.04114	0.5
123.05624	0.8
124.04053	0.5
125.03561	3.2
125.07221	1.8
126.04383	1.3
127.05148	3.7
127.08804	0.4
128.03545	100.0
129.03900	2.3
130.35420	0.4
131.02859	4.6
132.01230	0.8
135.05652	5.9
139.05151	1.5
139.08699	0.8
141.03072	7.0
141.06708	1.1
142.03271	0.4
143.04643	8.7
144.01227	0.6
145.06152	1.9
146.04597	2.1
147.04567	0.6
151.05145	6.5
152.08286	1.7
153.06709	11.2
155.02896	0.8
158.03348	0.4
160.00746	17.4
164.07036	1.9
164.08302	1.2
167.04616	0.5
169.06198	19.6
170.03317	1.2
170.06549	0.7
170.09322	1.2
175.01837	37.0
176.00258	1.8
176.02139	1.1
178.06285	0.4
179.04640	13.1
182.09348	6.2
185.03935	5.5
185.05574	0.7
196.07272	0.8
197.05684	14.2
203.04980	9.8
208.07291	1.7
211.01822	0.7
212.65862	0.4
214.08363	0.8
226.08334	8.4
229.02829	0.5
242.06085	1.5
252.06174	2.7
254.07764	0.8
260.07019	0.7
270.07312	0.6
286.05026	6.6
287.05542	0.5
304.06097	34.4
304.13110	1.2
305.06345	2.6
305.10529	1.1
305.16077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95580	0.5
56.98014	0.6
58.02970	2.3
59.01378	3.7
59.99138	0.7
64.95247	1.0
66.03479	1.3
67.20708	0.6
70.02976	1.0
71.01395	2.3
71.99144	0.9
72.00906	3.4
73.04079	1.8
73.97065	0.8
74.00706	3.7
74.02476	17.1
74.97607	0.6
78.95919	1.4
79.95755	0.8
81.04586	2.2
82.02988	9.6
84.00917	0.7
84.04568	1.5
85.02963	1.0
85.04083	8.5
86.02489	5.2
86.99120	1.0
87.05638	4.6
87.98611	0.8
95.02544	0.6
96.04576	1.1
96.96014	2.6
97.04079	31.0
98.02457	1.3
98.04403	0.8
99.01988	0.6
99.05657	6.1
100.00411	12.4
100.04036	2.7
101.02444	1.1
102.00198	18.7
102.05584	1.2
104.98878	1.2
105.99689	30.2
107.06155	2.3
108.04587	1.0
109.04069	3.5
113.03559	4.3
113.07191	1.5
114.00214	4.1
116.01750	3.8
120.99635	0.9
121.04137	0.6
123.05597	0.8
125.03553	4.5
125.07190	1.7
126.04354	1.3
127.05164	3.7
128.03542	100.0
129.03899	2.3
131.02852	3.8
132.01207	1.1
135.05643	5.8
136.20078	0.5
139.05127	1.0
141.03053	7.4
143.04625	11.6
145.06195	2.6
146.04559	2.9
150.04385	0.6
151.05119	5.5
152.08334	1.6
153.06696	13.8
155.08221	1.4
159.99451	1.1
160.00748	18.4
161.01062	0.7
161.04515	0.6
164.08319	1.5
166.06262	0.6
169.06195	10.1
170.03314	2.2
170.09355	1.1
175.01816	36.3
176.00217	1.6
176.02290	0.7
179.04628	11.9
182.09341	7.1
185.03929	3.4
185.05481	0.8
196.07222	0.9
197.05673	15.6
203.04939	4.9
206.15028	0.6
208.07245	2.7
211.01685	0.9
214.08357	0.9
226.08354	10.0
242.06030	0.7
252.06186	3.2
260.07062	0.6
286.05002	5.1
304.06094	33.3
304.15005	1.2
304.18411	0.7
305.06500	1.9
305.10886	2.4
305.15875	0.9
325.89847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
59.49746	0.1
61.53197	0.1
61.98818	0.1
63.26893	0.1
68.99199	0.1
71.01389	0.5
73.02956	0.1
83.01398	0.2
85.02943	0.3
85.16791	0.1
87.00900	0.2
88.41749	0.1
108.21239	0.1
110.02487	0.1
113.02460	0.2
136.07750	0.1
138.05545	0.2
140.07182	100.0
141.06546	0.2
141.07550	3.6
154.08672	0.1
173.70155	0.1
255.03053	0.3
284.03256	0.2
284.97452	0.2
285.03989	0.2
301.96078	0.1
302.10382	0.2
303.14389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
60.01712	0.3
61.27623	0.1
61.98829	100.0
62.35849	0.2
66.84406	0.1
69.96937	0.4
69.97334	0.3
70.25543	0.1
119.00172	0.3
134.97067	0.2
159.01474	0.4
159.97398	0.2
160.01651	1.3
161.01172	1.8
161.98943	20.0
162.96513	0.3
162.99088	1.1
202.02739	0.4
203.02318	0.3
203.99971	4.1
205.00175	0.3
219.97990	0.2
245.02724	0.1
252.93178	0.1
261.99002	0.6
304.00021	12.8
304.02734	1.1
305.00085	2.2
310.67239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.85371	0.4
56.06807	0.4
60.97506	0.8
61.90415	0.4
69.48572	3.2
74.99076	0.6
90.02393	0.5
90.04217	0.4
118.96260	0.6
132.21144	0.4
134.99403	6.0
136.97322	1.8
143.05339	0.8
159.08455	0.9
161.06386	5.9
170.87013	0.6
192.12048	0.5
201.04066	0.7
203.05641	2.9
204.06157	0.6
205.03711	0.5
215.05623	1.3
217.07217	79.9
218.07375	7.3
285.13474	34.3
286.13675	4.2
301.16599	100.0
302.16815	12.9
308.38965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.4
59.11529	0.8
61.98829	1.4
79.95768	0.8
80.29538	0.7
85.02956	1.1
86.60178	0.6
88.65312	0.7
96.96622	0.7
99.92601	1.0
114.85384	0.7
124.02268	14.6
124.03133	1.0
125.03057	100.0
126.03862	36.4
127.04158	1.5
130.94870	0.7
138.03848	3.0
166.06979	1.0
172.02608	26.2
194.57001	0.7
210.05945	2.9
211.06715	10.1
212.07425	3.7
227.06784	1.1
255.05750	5.1
255.08046	0.7
256.05951	0.9
258.06265	17.8
258.28397	0.7
259.06674	1.2
285.00433	1.8
302.00238	3.8
302.05243	17.5
302.10883	1.1
303.01663	1.6
303.05692	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	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76283	0.2
57.02225	0.2
59.01387	1.1
65.00397	0.2
68.99071	0.2
70.37634	0.7
71.01366	0.2
74.15838	0.2
75.58797	0.2
75.60101	0.2
85.97077	0.2
89.02474	0.5
91.04022	0.8
103.58007	0.2
107.01371	0.4
111.08111	0.2
113.26519	0.2
123.00840	0.2
146.22098	0.2
151.00356	0.7
165.12834	3.7
183.13895	100.0
184.14236	5.2
195.04483	0.3
209.11858	2.5
227.12883	5.0
228.13113	0.3
240.04279	1.6
241.05034	1.4
257.08124	0.6
268.03790	0.6
273.03967	0.3
283.06110	2.2
284.06052	0.3
301.00388	1.2
301.03555	0.8
301.07028	1.6
301.16568	11.3
302.16916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40000	0.3
59.01375	1.3
65.00317	0.6
65.14805	0.2
70.74483	0.5
79.95770	0.3
83.01397	0.4
89.02427	0.5
91.04023	0.5
93.03461	0.7
110.00080	1.7
112.65686	0.3
119.05027	0.6
121.02995	0.3
137.99542	0.6
142.62909	0.3
149.60239	0.3
151.00357	0.9
152.01149	0.4
152.05377	0.3
165.12827	3.7
165.99069	2.0
166.99855	0.9
178.99854	0.6
180.00671	0.5
181.01535	0.7
183.13902	100.0
184.08096	0.3
184.14246	5.2
196.20987	0.3
209.11824	2.2
227.12895	4.8
228.13219	0.4
245.04546	0.8
257.12906	0.7
273.03983	1.0
286.04840	2.9
300.99976	3.1
301.03516	0.5
301.07053	2.1
301.16568	8.9
302.00293	0.4
302.16992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	6.2
61.98825	4.0
62.09832	3.2
63.96232	2.4
70.68248	2.5
70.87575	6.3
75.17212	2.3
79.95741	7.6
93.03461	6.2
107.01384	3.2
110.00124	3.4
119.04992	3.9
121.02941	4.0
134.53580	2.3
137.00325	2.2
137.06087	56.5
139.00377	2.8
151.00415	5.8
157.02925	3.2
165.99055	6.4
173.02538	2.9
178.99825	2.5
181.05057	26.4
185.02327	2.4
197.90579	2.8
199.13390	7.0
201.01991	2.8
213.34187	2.1
227.12903	22.7
229.01443	8.1
245.04671	4.8
257.00790	3.6
283.99609	5.3
286.04840	13.5
299.99088	4.8
300.99918	100.0
301.03156	3.8
301.06979	9.7
301.10623	2.6
302.00244	7.4
312.00430	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	301.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02209	1.2
54.96581	1.2
56.27912	1.2
59.01382	41.9
59.92271	1.3
64.21649	1.8
66.59853	1.2
70.78252	1.6
70.78565	2.3
78.95914	6.9
96.95984	2.3
107.56309	1.4
108.26482	1.5
115.02503	3.1
117.00446	4.1
136.94067	5.1
138.93781	2.8
143.01852	1.2
157.03647	1.7
159.01486	45.9
160.01689	3.9
167.94589	1.3
178.95044	5.1
180.94742	2.2
196.92680	2.7
201.02513	11.8
218.70087	1.3
225.86072	1.8
258.87369	24.0
259.88062	9.4
273.86023	11.8
274.90573	4.8
276.88467	100.0
277.88443	9.9
291.87186	49.0
292.87241	5.2
300.88461	14.7
301.02612	21.8
301.88611	3.3
302.02924	3.1
318.89545	69.9
319.89639	7.4
324.08600	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	301.035
Annotation	Quercetin
Peak:m/z	Relative Intensity
57.97562	0.3
59.01373	1.0
63.02399	3.6
64.99992	0.4
65.00325	6.6
68.99826	0.2
70.96204	0.6
70.96558	0.3
71.01414	0.3
73.02932	0.4
73.04072	0.7
79.01866	0.3
79.95728	2.4
80.96523	1.3
83.01390	4.8
83.55297	0.2
91.01922	0.2
91.87277	0.3
93.03457	4.3
95.01374	0.6
107.01396	10.5
108.02186	0.7
108.99290	0.3
109.02950	4.4
110.00076	0.3
113.05849	0.3
117.03444	0.7
119.01329	0.3
121.02958	7.6
122.03261	0.3
123.00857	0.7
124.01659	0.6
125.02464	1.3
130.08746	4.2
131.05042	0.3
131.09065	1.0
133.02927	0.8
135.00877	1.0
135.04506	0.7
137.02423	1.1
139.04042	1.2
139.08786	0.3
141.01311	0.3
143.04985	0.4
143.11891	0.3
145.02943	0.9
146.03738	0.3
147.04524	0.3
149.02469	2.2
151.00377	29.3
152.01067	1.5
152.37654	0.3
153.01918	0.6
157.02916	0.4
157.06575	0.4
159.04475	1.3
161.02460	1.2
161.06113	0.5
163.00391	1.9
163.04060	0.7
164.01122	0.5
165.01924	0.6
165.99127	0.3
167.05103	0.3
169.01463	2.1
169.09737	0.9
170.10202	0.5
171.04485	0.6
173.02457	1.2
173.06017	0.4
174.03255	0.4
175.03970	1.0
177.05557	0.3
178.99869	10.1
180.00374	0.4
183.04495	0.8
185.02431	1.2
185.06065	0.7
185.94765	0.8
187.03957	1.3
189.01894	0.5
193.01384	0.6
199.03978	0.8
199.18230	1.2
200.18456	0.4
201.01744	0.5
201.05603	1.2
203.03427	0.8
206.99298	1.0
208.00098	0.8
209.11894	0.7
210.03294	0.3
211.03972	1.2
212.04683	0.3
213.01904	1.1
214.02658	0.4
215.03525	0.7
217.05116	0.4
227.03499	2.4
228.04065	0.3
229.01366	0.9
229.05048	1.3
230.02106	0.4
240.04237	0.4
243.02879	0.5
245.00864	0.5
245.04590	4.8
246.04973	0.4
255.03040	2.3
256.03607	0.7
257.04526	0.8
271.02441	0.5
273.04034	5.2
274.04382	0.4
283.02493	0.6
283.99628	0.8
284.02963	0.6
286.04675	0.8
299.99045	0.8
300.02454	0.5
300.19211	1.7
300.99924	13.8
301.03482	100.0
301.19476	1.9
302.00266	1.1
302.03842	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	301.0066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.9
63.96241	60.3
65.00321	2.6
69.45885	4.5
73.01173	26.0
79.95739	3.5
81.10381	0.7
83.01383	1.7
87.11448	0.5
89.00666	2.4
91.26264	0.6
93.03463	4.2
93.57935	0.6
95.01451	0.7
95.93456	100.0
95.95166	4.3
96.88983	0.5
96.93344	0.5
96.94232	2.3
98.19817	1.0
104.98418	1.6
105.00174	2.1
107.01353	3.0
109.02962	1.1
111.92989	0.6
117.03494	0.9
121.02957	0.8
122.95811	14.0
124.01680	0.9
125.02442	1.9
135.04529	0.8
137.98163	1.9
145.02994	0.6
151.00372	8.1
152.01181	3.0
152.96878	0.9
159.04471	1.0
161.02515	0.9
163.00345	0.9
165.99103	0.8
169.01408	0.7
178.99844	3.4
206.99388	2.3
208.00117	1.7
210.99260	82.3
211.99478	3.1
215.03638	0.6
229.05118	0.8
245.04541	6.4
256.03342	0.8
257.04477	0.9
272.02899	0.8
273.04031	8.5
286.04709	0.8
290.34195	0.8
301.00034	2.8
301.03470	8.1
302.03668	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	300.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
65.00309	0.6
66.03510	0.6
69.81330	2.7
70.99606	1.1
73.04070	13.8
74.02468	1.3
75.33153	0.5
79.22697	0.5
79.93914	0.7
79.95758	0.9
80.05054	0.6
80.55925	0.5
82.06640	0.7
83.02502	1.9
84.08167	0.5
88.38412	0.5
89.00173	0.5
89.00657	2.5
97.06573	1.4
111.09129	0.5
112.07642	0.6
117.64583	0.5
129.10339	1.6
129.59572	0.5
130.08740	100.0
131.09085	3.5
138.05588	1.9
139.08766	6.7
141.10358	6.1
143.11902	7.3
147.62669	0.6
151.00412	0.9
168.11504	0.7
169.09816	19.6
170.10312	0.6
181.06111	0.5
182.15488	1.7
186.12474	1.1
199.18152	31.8
200.18541	1.7
221.87213	0.5
231.12277	0.7
243.17149	2.1
255.02921	1.1
256.20291	13.5
257.20587	0.8
258.38965	0.5
264.13614	0.6
271.02451	2.6
285.03589	1.9
286.04706	0.8
299.99512	0.6
300.02628	2.5
300.05783	1.2
300.19275	88.0
300.99957	2.9
301.03168	0.9
301.07303	0.6
301.19608	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	301.0065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54409	0.6
56.25165	0.6
56.75631	0.6
57.63974	0.7
63.02398	0.7
63.96241	84.4
65.00318	1.3
69.35025	6.7
73.01173	23.0
75.02708	1.0
79.93943	1.0
79.95757	3.9
83.01420	0.8
89.00666	3.3
93.03446	1.8
95.93456	100.0
95.95210	8.5
96.94232	3.3
99.53598	0.7
104.98365	3.4
105.00176	1.5
107.01376	2.4
111.92961	1.1
117.37120	0.7
121.02956	1.0
121.44225	0.8
122.95802	18.6
134.88445	0.7
137.98170	2.6
151.00398	5.4
156.83287	0.8
178.99933	1.7
186.55714	0.7
210.99263	76.7
211.99544	2.7
245.04482	2.4
272.02814	1.5
273.04001	2.8
283.99625	0.8
286.04596	1.4
297.27191	0.9
300.99985	3.2
301.03384	5.4
301.07050	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	300.1929
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
53.24696	0.7
59.01397	1.1
59.66184	0.6
65.00314	0.9
70.99621	0.7
71.61084	1.0
72.88288	0.7
73.04070	15.4
74.02428	0.6
80.05093	0.8
80.96546	0.7
82.06637	0.9
83.02532	1.3
84.08195	0.7
89.00700	3.2
97.06599	1.1
99.67329	0.6
126.29681	0.7
129.10352	1.7
130.08742	100.0
131.09074	4.2
138.05614	1.5
139.08786	6.6
141.10358	5.5
143.11914	8.1
151.00407	1.2
169.09833	22.6
199.18169	32.1
200.18477	1.9
237.98044	0.8
243.03159	0.7
243.17151	2.2
255.02931	1.0
256.20303	13.3
271.02533	2.3
285.03635	1.9
300.02539	2.1
300.05911	1.3
300.19284	87.7
300.99908	6.1
301.03351	2.0
301.19516	5.7
315.03244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1931
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
53.85753	0.6
59.01383	2.6
60.19109	0.5
65.00314	0.6
66.03501	0.9
68.33688	0.5
68.90696	0.5
69.88020	2.9
70.03012	0.7
72.99320	2.5
79.95731	0.8
82.06648	1.0
87.05640	17.0
88.04035	0.9
94.88058	0.5
97.04060	2.7
98.19887	0.6
115.08784	2.5
116.07182	30.4
119.05018	0.6
123.03287	0.7
128.37756	0.6
130.08742	86.3
130.70093	0.5
131.09100	2.2
138.05605	13.0
139.08755	4.8
141.10341	4.2
143.11905	3.6
149.02455	1.1
151.00403	1.1
152.07254	0.6
153.10304	1.7
155.11900	1.6
157.13455	4.0
168.13940	1.2
169.09822	10.3
175.29277	0.5
183.11409	6.8
184.11847	0.7
185.12962	0.6
185.16591	18.6
186.12378	0.9
186.16908	0.8
195.15106	1.0
214.15572	0.9
229.15617	0.8
237.25916	0.6
243.02905	0.9
245.13831	1.3
252.08749	1.2
255.03030	1.0
256.20300	18.8
257.20703	1.4
271.02432	1.5
285.03534	2.4
286.04678	0.8
300.02582	2.3
300.10590	1.8
300.19269	100.0
300.99887	3.4
301.03421	1.3
301.12958	2.6
301.19559	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	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93531	0.2
59.01391	1.5
68.01411	0.4
68.24376	0.2
69.87173	0.2
89.02457	0.4
95.04984	0.3
99.53376	0.3
108.89680	0.2
113.28193	0.3
122.02477	1.2
123.03271	6.3
136.04007	0.2
137.04843	0.6
138.05609	100.0
139.05972	3.1
151.12907	0.3
152.07133	0.8
165.04326	1.5
176.23878	0.2
180.06656	1.3
206.01279	0.2
214.84920	0.3
300.10876	6.7
301.11166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.259
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
59.01393	0.7
65.00327	6.6
69.38665	1.5
69.39087	3.3
78.92759	0.6
85.18446	0.6
98.19906	1.0
99.92590	1.3
110.00137	0.6
115.92045	0.6
117.03434	0.9
136.98807	8.3
138.05659	1.2
141.12862	3.2
145.02939	0.5
159.04530	0.6
164.01077	0.9
183.04460	1.2
184.05348	0.5
185.00896	0.9
185.02460	0.6
186.03210	1.9
195.62944	0.5
196.04495	0.5
199.03935	0.6
200.04768	2.1
211.03937	1.1
212.04787	1.6
227.03477	2.3
228.04053	0.8
253.25330	1.8
255.02936	1.5
256.03726	0.8
259.03705	0.6
281.24777	1.8
283.02423	2.4
284.03250	48.2
285.03580	5.8
297.24350	1.0
298.98270	0.9
299.02402	0.8
299.05609	20.8
299.09036	1.3
299.20331	37.0
299.25864	100.0
299.99292	0.6
300.05878	1.6
300.20642	2.9
300.26178	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	300.0877
Annotation	Nanaomycin C
Peak:m/z	Relative Intensity
58.16885	0.8
59.01375	3.2
60.99309	2.9
62.65267	0.8
65.00321	0.8
71.01371	0.9
71.61005	1.0
72.00911	7.9
72.99317	0.9
73.01221	0.8
130.08743	2.3
138.05602	3.8
143.11900	2.7
150.00043	0.9
169.09863	0.9
171.07703	0.9
193.06573	6.2
195.04517	22.1
196.04912	1.6
197.06113	1.2
209.06036	7.7
210.06505	1.0
211.07663	1.9
213.05583	2.9
221.06078	38.7
222.06374	2.6
225.05574	10.7
225.11353	1.8
226.06351	7.0
227.07013	1.0
236.07169	3.1
237.05568	3.5
238.08734	4.4
239.03688	4.6
239.07132	59.7
240.07431	5.6
254.08170	3.3
255.06638	2.5
256.09808	6.4
258.05331	6.3
265.05051	24.2
266.05414	1.4
271.06036	1.2
282.07724	31.8
283.06030	33.1
284.03400	0.9
284.06525	2.5
285.03549	3.2
286.04874	1.3
300.08768	100.0
300.19342	3.2
301.00003	5.4
301.03195	1.2
301.09305	9.2
301.12518	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	299.1137
Annotation	Salidroside
Peak:m/z	Relative Intensity
57.03453	1.6
58.00591	5.2
58.02986	2.0
58.30225	1.0
59.01381	100.0
59.52440	0.9
60.01710	1.2
61.89915	1.0
65.00329	2.7
71.01385	63.9
71.60022	1.6
72.99311	7.1
73.02972	2.2
75.00853	1.2
81.03497	1.0
83.01391	2.2
85.02957	10.7
87.00868	3.8
88.65961	1.2
89.02446	89.7
90.02747	1.3
95.01366	5.0
95.35619	1.0
97.02963	1.1
98.70309	1.0
99.00892	1.7
101.02444	35.8
107.05045	2.2
110.02487	2.8
110.23116	1.0
113.02447	25.2
114.05598	1.5
116.07211	1.7
119.03513	35.5
119.04999	16.8
120.03802	1.2
120.05342	1.0
130.08736	11.0
131.03540	2.7
136.98801	3.9
137.02480	1.1
137.06087	6.7
138.05592	7.2
143.03491	3.7
143.11882	5.1
149.04602	1.8
151.48500	0.9
152.07303	1.1
152.96831	1.0
161.04587	3.7
169.09755	1.5
179.05605	4.0
214.15652	7.9
229.56000	1.0
255.02872	1.3
256.16428	1.2
271.02539	2.7
284.03271	23.0
285.03510	2.8
299.02029	3.1
299.05560	11.2
299.11368	13.0
299.25763	1.2
300.02679	2.5
300.11981	1.5
300.15610	12.4
300.19250	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	299.0774
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
52.85770	1.5
59.01382	61.2
65.00327	6.3
71.01386	30.9
71.59926	2.4
71.60352	1.8
72.99319	3.7
79.95749	2.3
85.02963	7.6
87.05666	3.9
88.04041	24.5
89.02441	28.9
93.03462	19.2
95.01367	1.7
96.00944	2.2
99.00910	2.5
101.02448	19.4
109.01703	4.0
113.02464	13.8
114.05635	10.2
119.03519	11.1
119.05000	5.3
120.99629	1.8
121.02966	2.2
122.02475	2.7
127.05109	1.9
135.04486	1.8
136.01669	5.8
136.05310	12.6
136.98857	12.8
137.02454	100.0
137.06079	2.7
138.02762	2.8
138.05615	87.5
143.11868	2.2
149.02443	3.0
151.03979	2.7
174.01746	8.9
179.03506	29.8
179.05287	2.3
179.05693	2.2
180.06667	2.1
200.04633	1.6
209.04646	3.4
211.04181	2.2
211.08020	3.8
211.14491	3.4
212.04852	2.6
227.03555	2.8
239.05658	15.2
257.59003	2.0
271.02502	6.6
283.02573	2.1
284.03256	62.5
285.03705	7.9
299.05246	13.1
299.08224	41.9
299.25879	3.7
300.05579	2.7
300.08231	2.6
300.10999	10.2
300.16266	2.8
300.19354	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	297.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.6
57.62069	0.5
59.01390	3.0
61.15275	0.4
65.00326	0.8
65.03957	2.7
67.01886	1.5
69.48922	4.1
71.01366	1.3
77.17632	0.4
85.02950	0.7
86.62022	0.4
87.00875	1.0
87.02737	0.5
89.02464	0.5
91.01894	44.7
92.02231	1.2
95.67224	0.5
96.96021	2.5
101.02452	1.2
108.02141	1.0
109.02956	30.6
110.03308	1.2
115.00350	1.4
121.02972	1.6
133.02956	0.6
135.00885	98.0
136.01196	3.6
137.02437	1.7
142.99973	0.6
149.02458	1.1
153.01939	100.0
154.02295	3.8
175.02507	4.0
175.03853	0.9
177.01888	2.1
181.06270	0.5
293.12860	0.5
297.02991	1.0
297.06180	10.8
297.09689	1.0
297.24457	4.7
297.27631	0.8
298.06433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.098
Annotation	Picein
Peak:m/z	Relative Intensity
58.99608	0.4
59.01378	1.8
61.98826	0.6
70.93246	0.7
71.01376	2.2
72.99307	0.4
73.01136	0.3
73.02946	1.0
74.99104	0.3
75.00811	0.2
77.20969	0.2
78.95889	0.5
85.02959	0.9
87.00861	2.5
89.02441	0.6
93.03463	0.3
99.00862	0.3
101.02440	1.1
106.04237	1.4
107.05034	7.1
108.02171	0.4
108.05398	0.3
109.01654	0.3
109.02962	0.4
113.02442	0.6
117.03487	0.7
121.02963	1.2
121.05006	0.3
123.04516	0.7
133.02992	0.5
134.03748	33.5
135.04530	100.0
135.65817	0.3
136.04834	4.0
145.17767	0.3
161.04607	1.1
176.07150	0.4
177.05635	0.4
189.10364	0.4
199.88394	0.2
209.93040	0.5
220.09709	0.3
254.08611	0.6
297.08438	0.4
297.24356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01383	2.9
61.98819	0.9
71.01384	1.1
79.95764	1.0
85.02934	0.4
89.02455	0.4
138.03778	0.7
164.58998	0.5
183.01201	17.8
184.01804	1.7
197.02829	0.9
216.00964	2.3
235.58670	0.4
237.09544	0.5
251.23718	0.8
279.23285	1.4
297.15302	38.8
297.24353	100.0
298.15646	3.7
298.24664	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	299.0562
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01295	2.8
65.00241	10.9
65.00615	1.2
68.99717	0.7
69.96554	1.7
69.96948	1.2
73.01083	2.9
87.00829	1.0
99.00811	0.7
104.98304	1.1
108.02097	0.8
108.99235	1.1
110.91592	0.6
117.03374	2.0
128.55980	0.7
135.00963	0.7
136.98816	18.2
138.05515	1.1
149.99532	1.4
155.04880	0.7
156.05750	0.9
163.00313	0.7
164.01093	1.4
165.99081	0.9
183.04433	1.7
184.05272	1.4
185.02252	1.2
186.03131	1.9
199.03944	1.0
200.04855	3.3
211.03915	2.6
212.04787	4.5
216.76102	0.7
217.00223	1.1
227.03516	4.0
228.04143	2.6
255.02890	2.0
256.03687	2.7
273.75739	0.6
283.02515	3.9
284.03256	100.0
285.03604	8.2
299.02243	1.7
299.05603	44.3
299.25809	1.6
300.05933	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
56.82382	1.2
59.01378	10.5
61.47153	1.3
69.03448	2.1
71.01354	1.2
73.37980	1.1
79.58693	1.1
80.96492	1.3
83.05028	2.4
87.88784	1.5
92.56796	1.1
111.08143	2.2
113.09733	3.7
127.71405	1.1
157.08710	71.5
158.09045	2.5
195.13782	2.8
230.37509	1.4
277.21722	62.9
278.22125	6.2
295.22787	100.0
296.23093	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.50978	0.9
57.03418	1.9
59.01374	6.4
61.98815	1.7
71.01385	1.0
71.10589	2.1
75.03025	1.0
80.96484	1.8
87.34643	1.0
105.71276	0.9
113.03616	1.1
114.02715	0.9
125.09637	1.4
127.11260	0.9
137.09737	1.1
155.14423	3.4
166.77934	0.9
171.10278	26.7
183.10315	1.3
185.11606	1.0
195.13943	3.1
245.40689	1.0
251.23808	1.5
265.57922	1.1
277.21701	30.8
278.21924	2.2
280.21259	1.1
295.22781	100.0
296.23178	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	296.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01882	0.6
57.03419	0.6
59.01377	2.1
63.94477	0.9
63.96246	1.2
71.01384	1.0
71.60580	0.8
72.04546	1.1
78.91734	0.6
80.96538	0.9
81.01369	0.5
82.02990	28.3
84.04558	9.6
85.02952	3.7
91.01889	1.6
92.76762	0.6
98.74771	0.5
98.97238	0.6
100.04049	19.2
101.02447	2.4
102.98609	2.2
109.02946	1.3
113.02431	0.6
120.01264	1.9
120.83338	0.6
121.02932	1.1
122.03750	7.5
123.04558	3.1
123.99889	6.6
128.03543	10.7
129.01990	3.0
134.03751	15.4
134.04694	0.9
135.00887	2.8
135.04507	2.9
137.02434	1.4
145.99252	2.8
146.04640	1.2
148.05289	2.0
149.06091	9.4
151.99385	61.5
152.99721	2.0
153.01964	3.0
154.02730	1.0
159.04488	0.6
160.01649	2.3
160.05293	1.6
166.00868	1.1
166.02831	0.6
167.01726	100.0
168.02060	3.5
175.03998	5.8
181.03275	4.6
202.05075	1.4
203.05890	11.3
204.06233	0.9
207.08940	0.9
218.08221	35.2
219.08653	1.8
235.08527	1.1
236.09334	4.7
249.04039	0.6
250.10846	13.8
251.11272	1.0
252.06995	22.3
253.07286	1.4
256.69617	0.6
264.08743	7.5
278.10300	6.1
296.06247	7.0
296.11401	38.5
297.11676	2.6
297.24313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98823	0.3
65.00321	0.5
82.77546	0.3
91.01896	32.2
91.44075	0.3
92.02232	0.8
95.01392	0.6
100.61809	0.3
107.01400	0.3
108.02171	6.4
121.02958	1.1
123.00881	1.2
135.00887	100.0
136.01233	3.0
137.06125	0.3
153.01933	3.4
175.00119	25.3
176.00487	0.8
190.61128	0.3
193.01167	6.9
194.01582	0.3
237.00150	8.1
238.00630	0.4
295.05862	26.3
295.15247	0.7
296.06201	2.2
308.17807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03450	1.7
59.01368	5.1
61.98806	1.0
63.33955	0.8
70.26841	2.9
80.96507	1.1
84.02166	1.0
85.02943	3.0
99.08189	0.9
125.09741	1.2
171.10271	48.2
172.10561	2.4
251.23483	0.7
259.20523	0.8
267.23291	1.8
277.21710	63.4
278.22125	6.3
295.22760	100.0
296.23096	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.91605	0.5
53.77481	0.5
57.03444	1.4
59.01379	4.6
71.01388	0.9
83.05003	0.6
98.20747	0.9
111.55898	0.6
113.09737	2.5
120.31253	0.6
134.04724	0.6
179.14394	1.5
181.12364	0.7
183.13931	3.2
195.13908	25.6
196.14247	1.9
201.31693	0.5
211.89532	0.6
213.05244	0.6
223.16002	0.5
277.21735	21.1
277.24768	1.1
278.22095	1.9
284.77997	0.6
295.22775	100.0
296.23108	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
58.00577	1.7
59.01381	40.9
68.67830	0.6
71.01389	18.8
72.67036	0.7
72.99305	2.1
73.02931	0.6
73.85295	0.6
80.21062	0.6
83.01374	1.9
83.61002	0.7
85.02953	4.7
85.06596	18.1
87.00877	1.4
89.02448	22.3
95.01432	0.8
98.20753	0.8
99.08197	0.6
101.02454	14.2
113.02441	7.9
113.06091	4.8
115.07647	2.7
119.03501	8.4
127.07635	2.7
129.09247	0.7
131.07144	69.9
132.07484	2.6
173.08159	1.4
179.05565	0.6
230.40594	0.7
293.12421	100.0
294.12793	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	293.1757
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.61025	0.9
57.18281	0.8
59.01375	5.5
69.77705	5.3
71.01379	7.5
79.61525	0.9
81.40577	0.8
105.56777	0.8
110.64799	0.9
127.07690	1.4
127.63309	0.9
148.05235	1.1
151.07547	0.9
177.09241	5.7
185.64244	0.8
192.09972	0.8
192.11494	5.0
205.12286	6.8
207.13927	1.0
218.09421	2.0
220.14680	48.5
220.40350	0.9
221.15454	100.0
222.15829	7.4
227.51913	0.9
233.10574	1.8
236.10530	73.4
237.10947	6.5
293.17542	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	294.047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51588	1.4
57.77062	1.5
58.02976	4.2
59.01379	18.7
61.98832	100.0
63.96243	2.2
71.01384	18.1
71.02499	11.2
71.59823	1.7
72.00895	1.6
72.99293	3.2
73.01196	5.3
73.02894	1.3
73.04085	3.6
74.02487	7.4
75.33188	1.2
78.96812	6.2
79.62962	1.4
80.96499	2.0
82.03008	1.7
83.01373	1.9
85.02961	5.8
86.02480	4.4
87.00883	3.8
87.05647	2.0
89.02454	11.1
95.01395	2.1
95.93465	6.0
96.00925	6.5
98.02444	6.6
99.00912	1.9
101.02438	10.8
110.02496	1.7
112.04202	1.3
112.05102	2.4
113.02442	5.2
113.03577	17.1
114.02000	2.5
114.71384	1.3
119.03526	4.2
119.05013	9.4
126.04353	2.5
127.05105	3.2
128.03525	1.5
130.06197	9.0
133.05130	2.3
134.06111	5.0
136.97377	40.6
142.66646	1.6
161.04565	5.7
163.04051	7.3
171.04105	1.8
176.07216	2.0
180.06654	35.6
181.07039	2.0
191.08229	9.2
216.06580	1.8
230.98177	1.3
233.09372	4.9
235.06017	1.5
250.11847	2.1
260.05670	1.8
277.08347	10.3
294.10956	26.6
295.01328	3.2
295.10413	8.0
295.13980	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	294.9266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06358	0.4
57.57996	0.4
59.01387	2.5
62.85918	0.3
63.94460	1.9
63.96245	4.5
64.95245	0.4
69.03451	1.4
69.08695	0.4
69.61745	2.6
71.01387	0.9
73.01176	2.7
79.93965	2.3
79.95741	100.0
80.94736	0.7
80.95685	0.6
80.96512	1.5
82.02995	0.6
85.02893	0.4
95.93461	0.9
96.96012	3.3
99.66903	0.4
100.04091	0.6
101.02433	0.5
104.98389	7.0
109.06593	0.9
111.92953	39.6
112.93016	0.4
112.93722	2.5
115.00373	0.6
120.97879	2.0
125.82597	0.4
125.96809	0.4
127.86576	0.4
129.01942	1.5
129.15082	0.4
133.01378	0.5
133.99493	0.4
139.01500	0.5
143.90160	42.8
147.04509	0.5
148.04909	0.3
149.06065	1.6
164.07143	1.1
184.94061	50.5
185.94354	0.8
193.04884	0.5
215.10803	0.8
231.03261	0.8
247.89517	0.4
251.12877	0.4
276.08731	0.4
279.25528	0.4
294.08517	0.6
294.92673	1.8
295.08603	0.9
295.12067	0.6
295.15265	0.4
297.17438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63232	0.6
58.00579	1.2
59.01379	36.7
69.03465	0.6
70.05370	2.1
71.01384	18.9
72.01717	0.6
72.99314	1.5
73.02951	0.7
79.95700	0.6
83.01385	2.1
85.02966	3.9
85.06591	17.4
87.00900	0.9
89.02442	20.1
95.01395	1.9
100.80428	0.6
101.02448	13.8
113.02463	7.4
113.06094	4.6
115.07629	2.0
119.03484	7.3
127.07639	2.2
130.08737	0.8
131.07140	64.8
132.07480	1.5
168.38861	0.6
173.08171	2.3
212.47250	0.6
269.02774	0.6
277.62000	0.6
280.40793	0.6
293.12408	100.0
294.12784	6.6
311.78973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10983	0.7
55.01879	0.7
57.03419	0.9
58.00597	1.8
58.87877	0.6
59.01378	44.3
71.01382	20.3
72.99300	1.2
73.02930	1.2
83.01385	2.0
85.02951	5.7
85.06591	18.6
87.00894	1.5
89.02441	23.9
90.02271	0.6
90.91788	0.7
95.01363	1.7
101.02441	15.1
113.02465	6.4
113.06096	6.5
115.07608	1.4
119.03498	8.9
127.07645	3.5
130.08739	1.4
131.07140	75.3
132.07472	1.9
137.10039	0.6
143.03410	0.9
146.21506	0.7
146.32715	0.6
173.08177	1.4
179.05617	0.8
203.25476	0.7
254.41562	0.7
293.12402	100.0
294.12735	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
63.94466	25.2
63.96231	1.2
69.95851	0.2
69.96210	0.7
71.01387	0.2
78.96819	100.0
79.94036	0.1
79.96754	0.6
79.97161	0.4
83.01395	0.2
84.58575	0.1
85.02962	0.5
99.00866	0.5
101.00661	0.2
111.00918	0.2
112.98837	0.9
113.02428	0.5
125.02436	0.2
138.00349	0.1
141.00121	0.4
142.99831	0.5
149.17076	0.1
173.00903	1.7
174.01546	0.2
217.01665	0.2
247.02808	0.2
293.01108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
54.41650	2.1
55.01882	2.8
57.03442	3.7
58.00592	3.9
59.01381	100.0
64.54648	2.0
69.03426	2.0
71.01386	75.4
71.35866	4.3
72.99294	6.1
73.02946	46.5
76.12003	2.2
78.45278	2.0
78.95911	3.2
83.01396	7.5
85.02948	27.3
86.04582	1.9
87.00886	30.7
89.02442	44.7
95.01378	6.3
99.00889	6.6
101.02454	42.5
103.04011	8.7
104.65913	2.2
106.95813	2.3
108.96472	2.0
111.00854	2.7
112.98793	2.7
113.02446	28.5
113.03194	2.5
113.03589	4.0
119.03506	17.0
127.05278	2.0
130.08745	2.5
131.03502	56.6
143.03499	2.8
159.03098	2.6
161.04536	10.0
173.00909	2.2
180.06683	5.8
217.17476	3.1
293.08807	82.2
294.08731	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	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	0.9
59.01369	1.0
61.98825	0.3
63.94469	0.5
70.43329	0.6
70.43701	0.5
71.01376	0.7
78.96812	1.2
89.92577	0.4
109.16143	0.3
111.22704	0.3
119.08627	0.3
121.49582	0.3
156.13934	100.0
157.14297	4.3
164.08430	0.3
171.10115	0.3
177.09242	0.7
192.11571	0.8
200.12920	7.3
205.12369	0.6
220.14665	4.3
221.15457	8.4
235.13432	0.5
236.10541	6.3
274.18970	0.4
292.12717	0.5
292.19867	3.1
293.14276	0.3
293.17618	1.2
293.21204	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	293.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91146	0.4
51.34078	0.5
55.01860	0.6
55.49714	0.4
57.03441	1.4
59.01374	3.5
61.40833	0.4
62.15440	0.5
63.94464	24.6
63.96231	1.9
64.73674	0.5
66.61949	0.5
69.03454	0.9
69.59297	2.0
69.59720	1.6
70.99609	8.2
71.01374	2.1
72.67263	0.4
72.97542	2.0
72.99319	0.8
73.01171	11.3
73.02917	0.5
78.96815	88.4
79.95744	1.3
80.96513	0.5
85.02954	10.3
97.02971	0.6
99.00895	1.4
99.04547	0.7
101.00668	24.3
102.01001	0.5
108.27013	0.4
109.90998	0.5
111.04524	0.5
112.98799	1.1
113.02433	0.7
117.00143	2.8
125.02415	0.7
127.61267	0.5
129.00169	1.8
142.98059	1.7
144.99652	5.5
145.01460	0.9
156.99634	2.1
173.00916	1.7
199.60495	0.5
217.01746	100.0
218.02036	4.7
218.10164	0.6
293.01599	1.8
293.07043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
56.13025	0.3
57.26569	0.3
59.01376	0.8
67.99698	0.3
70.11982	0.4
70.12396	1.0
73.02948	50.2
74.03288	0.7
77.19173	0.3
79.16965	0.3
82.99763	0.3
98.20510	0.6
123.52985	0.3
199.74300	0.4
229.79642	0.3
235.34247	0.3
291.19650	100.0
292.19992	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	292.1919
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.30505	0.3
56.96598	0.3
58.02970	0.7
59.01382	1.1
64.75797	0.3
69.95081	1.6
71.01379	0.8
71.88714	0.3
76.09595	0.3
78.96820	1.2
92.29902	0.3
98.20273	0.9
100.77605	0.3
107.22346	0.3
110.27380	0.3
116.07364	0.3
136.83473	0.4
156.13937	100.0
157.14264	4.6
168.01773	0.3
177.09163	0.5
185.11929	0.4
200.12921	5.5
201.13261	0.4
205.12444	0.5
220.14703	4.6
221.15460	8.8
236.10541	6.4
292.09286	0.6
292.12509	0.4
292.19818	1.7
293.17828	1.1
293.21225	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	291.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58411	0.3
59.01377	0.7
69.03447	0.3
69.56685	1.9
98.19788	0.6
99.04523	0.3
106.10573	0.3
120.99656	100.0
122.00024	1.5
139.11285	0.5
198.06009	0.3
206.75133	0.3
209.74117	0.3
229.32634	0.3
232.48404	0.3
273.03860	0.6
291.12579	0.9
298.27258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.75987	0.2
57.03444	0.3
59.01379	2.0
69.03452	0.5
71.32596	0.4
80.02670	0.3
80.96521	0.5
93.03477	0.3
95.05035	0.5
97.06610	0.3
99.04537	0.5
111.04533	0.4
121.02979	0.4
121.08669	0.2
125.06089	0.6
133.56255	0.2
141.09224	0.4
148.08975	1.4
149.09679	0.3
150.10463	1.1
163.11287	0.8
165.12843	21.3
166.13173	1.1
171.58769	0.2
175.11266	0.7
176.12036	0.5
177.12814	0.5
179.14342	0.3
189.12749	0.3
191.14360	0.7
193.49893	0.2
209.04614	0.3
217.15977	0.7
231.10236	0.3
245.18971	0.3
247.20676	10.8
248.21024	1.0
272.47037	0.3
273.18594	6.9
274.18958	0.3
291.13031	2.4
291.19650	100.0
292.20026	10.3
292.22934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14266	0.7
58.02984	0.7
59.01375	1.4
64.78555	0.6
64.87780	0.6
70.56187	0.6
71.01382	1.0
71.33728	0.6
72.00914	1.2
73.01175	100.0
74.01514	1.5
74.02471	2.4
82.02998	2.0
84.04552	1.9
86.02485	11.0
87.00859	1.1
88.04051	1.3
96.96965	1.0
109.07722	0.7
115.00410	1.0
127.05140	2.2
127.08771	12.3
128.03545	68.1
129.03880	1.6
130.08733	0.9
131.09088	0.7
133.69154	0.7
136.64250	0.7
148.71107	0.6
150.72890	0.6
153.06673	3.2
160.04367	1.3
171.07761	46.4
172.08110	1.9
175.02525	2.9
215.06772	1.7
271.07751	0.8
289.08548	1.3
289.16193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96936	0.4
59.01373	2.1
63.96246	0.6
69.03454	0.6
73.01173	19.2
77.32360	0.4
78.98609	0.7
79.95741	100.0
80.95712	0.5
80.96517	7.8
83.09513	0.4
89.00661	4.0
95.93428	0.6
96.96001	0.5
99.04509	0.5
111.92915	0.6
112.93742	7.0
128.34134	0.5
136.97426	0.7
152.96867	32.1
153.72156	0.4
153.97157	0.5
154.98312	0.4
188.10811	1.3
214.20500	0.5
226.98756	39.1
227.99010	1.3
290.17664	2.1
290.98575	3.9
291.11951	2.4
291.18008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96936	0.4
59.01373	2.1
63.96246	0.6
69.03454	0.6
73.01173	19.2
77.32360	0.4
78.98609	0.7
79.95741	100.0
80.95712	0.5
80.96517	7.8
83.09513	0.4
89.00661	4.0
95.93428	0.6
96.96001	0.5
99.04509	0.5
111.92915	0.6
112.93742	7.0
128.34134	0.5
136.97426	0.7
152.96867	32.1
153.72156	0.4
153.97157	0.5
154.98312	0.4
188.10811	1.3
214.20500	0.5
226.98756	39.1
227.99010	1.3
290.17664	2.1
290.98575	3.9
291.11951	2.4
291.18008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0896
Annotation	Didemnimide E
Peak:m/z	Relative Intensity
50.27659	0.4
57.03439	1.4
59.01381	3.7
61.01024	4.2
61.98829	5.4
69.03469	1.0
71.01376	2.2
71.05007	1.4
71.59455	0.5
71.59826	0.6
72.99318	0.8
73.02945	0.5
78.95885	0.7
85.02979	0.7
86.02472	1.6
87.00880	3.2
87.04524	2.0
89.02428	0.9
96.96967	0.4
97.60236	0.4
98.02505	0.5
99.04491	0.6
101.02444	2.9
113.04164	1.8
115.02090	19.0
116.02437	0.5
117.01928	0.7
120.99626	1.6
130.08746	1.6
131.03506	0.7
132.98244	2.0
133.05064	6.1
147.08211	0.4
156.99878	0.7
157.03120	9.0
157.04324	0.6
159.04704	28.3
172.97723	0.9
174.99266	0.8
175.04185	9.1
185.06255	1.3
229.08881	1.3
231.01857	1.8
231.06847	1.4
239.13142	0.5
247.06279	1.3
287.11728	0.4
291.08951	100.0
292.09402	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	288.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89522	9.1
57.52134	8.5
58.99601	23.2
59.01371	15.1
60.00200	8.1
61.98834	59.0
71.60179	8.9
74.02434	9.4
89.00675	22.3
105.00201	9.8
109.96072	8.4
125.02506	10.5
137.04784	8.2
138.05612	13.0
160.00740	20.2
180.06688	100.0
201.05890	21.6
213.06702	9.3
224.05930	12.1
236.96129	8.2
242.06920	12.5
289.07526	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	288.1604
Annotation	Lycoramine
Peak:m/z	Relative Intensity
51.37341	0.2
54.13481	0.2
59.01374	1.4
61.98837	0.5
62.32401	0.3
66.07034	0.2
67.01883	0.3
70.68332	0.3
70.68696	0.8
70.72478	0.3
81.03447	1.8
92.05064	1.1
92.05599	0.3
93.03456	2.4
95.01373	0.3
99.92574	2.0
103.64810	0.2
107.03777	0.8
108.02180	0.8
108.04559	6.9
109.02950	6.5
109.04919	0.3
113.42798	0.2
115.92107	0.7
116.92858	0.7
121.02949	0.4
124.01640	0.6
134.02483	38.6
135.03293	10.2
136.04042	41.8
137.02466	2.2
137.04410	1.4
148.04051	1.0
149.04796	1.3
162.06912	0.3
176.03529	5.7
177.04138	0.5
181.03867	0.3
181.83910	0.3
190.05135	0.4
204.06715	0.5
270.14902	0.5
288.16043	100.0
289.16376	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	289.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	14.9
59.26923	2.4
61.98842	2.7
71.01392	19.1
71.47622	2.3
71.60722	3.0
72.99283	3.7
73.01162	15.2
73.02950	3.6
73.04070	3.0
74.02473	12.3
78.95915	8.0
80.96505	3.3
83.05022	3.2
85.02966	5.9
87.00876	38.9
88.04041	9.1
89.00648	4.9
89.02430	4.0
95.05025	3.7
96.04565	3.4
96.96948	13.7
97.06535	2.7
99.04491	4.3
100.09563	2.3
101.02399	3.4
101.65616	2.4
108.02155	8.8
109.02942	3.7
113.02473	4.1
113.07241	5.4
114.99644	4.3
115.00378	56.5
120.99632	3.8
123.04523	5.9
125.06071	10.5
127.00376	3.4
127.03983	7.4
128.03543	12.8
137.06030	6.5
139.04001	2.9
139.07672	2.4
141.05583	52.6
143.11885	5.6
153.05531	15.7
155.08261	5.5
156.97475	2.3
165.05612	18.6
171.02895	3.2
171.07643	6.5
175.02483	100.0
176.02733	3.7
183.06622	10.7
201.14250	4.1
245.13232	8.0
289.05807	4.9
289.15863	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	288.0767
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
52.49402	0.5
55.06832	0.5
55.66596	0.5
59.01381	14.4
61.90464	0.5
66.03482	0.6
69.03447	1.0
70.52012	1.8
71.01382	1.8
72.99322	1.7
73.01154	1.1
73.02934	1.0
73.04070	0.7
74.02463	6.4
78.95907	1.5
80.05049	1.2
82.06629	1.8
83.00143	1.1
83.01401	1.2
84.04546	0.5
87.00887	1.0
87.05643	1.5
88.04051	4.2
89.00675	0.5
90.97149	1.6
92.05072	2.2
94.02982	0.5
96.04539	1.1
96.96978	0.8
99.00875	1.6
101.07217	1.6
103.92068	0.5
104.03552	1.7
110.06114	4.7
112.04066	0.9
113.07200	0.8
114.98919	0.8
115.00358	1.2
116.98670	0.8
117.01942	1.1
124.04015	0.7
125.02444	1.4
126.02831	1.0
126.05569	0.7
128.03546	1.1
129.10289	0.9
130.08740	100.0
131.02025	0.7
131.09073	2.1
132.98218	1.1
133.01437	1.0
139.08783	2.0
140.03532	8.4
141.98259	0.6
142.96632	0.6
143.11882	0.9
153.10397	0.7
155.08124	0.7
155.11855	1.1
156.91299	1.1
156.99884	1.7
157.13356	0.6
160.97656	1.1
171.07738	0.8
172.97668	12.3
175.02422	0.7
181.09810	0.7
183.11371	1.4
184.97609	0.7
186.97325	1.0
187.96416	0.5
187.98709	0.7
200.05647	3.1
200.14067	0.6
201.12454	0.7
202.98788	1.3
213.96193	0.6
214.15601	1.9
226.15584	2.1
228.05176	1.7
228.96649	4.9
244.05112	2.9
244.13040	3.7
246.06496	3.2
258.14603	4.6
288.07587	62.3
288.15594	6.5
289.02643	1.0
289.08038	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0925
Annotation	Arizonicanol A
Peak:m/z	Relative Intensity
58.92325	0.3
59.01381	1.7
70.43187	0.4
70.43508	0.8
92.02695	0.5
92.66209	0.4
93.03453	3.8
95.01389	1.2
96.77065	0.4
98.20000	0.4
99.92590	1.5
104.56355	0.4
106.04231	1.0
106.60799	0.3
107.05045	2.8
108.02196	2.1
109.03010	0.5
116.92939	0.7
119.05038	0.5
121.02956	100.0
122.03722	3.4
124.01666	1.0
125.02444	6.5
136.01648	0.8
136.05324	0.9
137.02481	3.0
154.02734	2.6
168.04301	0.5
182.02188	1.6
211.07628	0.4
227.07132	0.7
228.07904	29.1
229.08253	2.1
230.85802	0.4
243.10240	29.4
244.10555	2.6
272.06750	0.6
281.98602	0.4
287.09256	61.0
288.09592	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.27426	0.3
57.03456	1.3
59.01381	100.0
60.01711	0.8
60.99305	0.6
69.29336	3.9
73.01199	1.9
97.06600	0.8
97.44713	0.4
98.19804	0.9
99.04533	2.0
109.06640	0.4
125.02438	0.7
134.26207	0.4
148.58093	0.4
151.35201	0.4
165.12856	1.8
167.10851	0.4
180.02319	0.3
207.13895	3.8
209.11841	7.5
210.12190	0.6
225.14957	6.4
227.12886	52.1
228.13213	3.1
251.12943	1.7
269.13956	17.1
270.14224	1.2
287.14999	83.1
288.15350	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	287.2229
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01369	0.5
62.76485	0.2
70.92110	0.5
73.59524	0.3
73.69055	0.2
82.66300	0.2
83.04998	0.3
99.92551	0.7
104.41074	0.2
111.08154	0.5
113.09738	2.2
116.92855	0.4
123.04541	0.5
123.08150	0.3
125.01787	0.2
125.02457	2.3
125.09726	0.6
127.11282	2.6
141.09221	0.4
141.12827	0.8
141.38208	0.2
143.10735	0.9
239.20155	1.0
241.21733	1.9
269.21207	3.0
285.20746	2.1
287.22266	100.0
288.22623	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	287.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33815	1.0
57.01834	1.0
59.01365	3.5
65.95790	1.0
69.73608	3.4
69.74023	1.9
71.01382	1.7
74.14948	0.9
79.95748	1.1
91.01897	2.6
95.24125	1.0
99.92565	2.8
108.02178	100.0
109.02411	1.9
109.03045	1.5
115.00365	1.1
115.92068	1.4
123.04522	25.7
124.02271	2.0
124.04915	1.4
125.02278	16.2
125.03086	10.4
126.03819	7.9
152.01190	1.2
152.12593	1.0
153.01944	4.1
159.00920	1.0
166.55499	1.0
167.03490	58.9
168.03870	2.0
172.02533	6.9
240.66040	1.1
244.04701	3.0
287.08038	1.2
287.22153	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	287.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
67.62807	0.4
69.86426	2.2
71.01385	0.7
73.01172	100.0
74.01506	1.6
85.02975	1.3
85.69271	0.4
96.95980	1.0
113.02460	1.1
125.02448	5.2
221.57817	0.4
287.05704	0.7
287.14368	0.6
287.18637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48593	51.5
73.01188	30.8
75.43494	13.9
80.09329	17.1
99.92572	21.9
108.02184	90.4
116.92830	23.5
118.05209	15.2
123.04508	91.5
125.02447	100.0
157.38799	15.0
167.03479	68.2
185.00809	15.5
212.12982	15.1
251.25848	14.7
272.23145	18.0
287.21957	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
50.74839	0.6
57.03448	15.1
58.20121	0.5
59.01384	2.9
63.02391	4.1
65.00323	9.9
65.03966	0.5
67.98771	0.6
71.61147	0.8
81.03462	3.1
83.01392	10.5
93.03465	2.4
95.01391	1.0
96.96004	6.1
98.38692	0.6
107.01408	6.9
107.05051	0.9
109.02944	2.9
111.00860	1.0
117.03475	1.1
121.02956	1.2
123.04527	2.7
124.01696	3.1
125.02451	100.0
126.02803	1.9
126.99747	0.9
131.05043	3.2
133.02982	4.2
134.03723	1.9
135.04515	1.9
145.02911	1.1
145.06581	0.8
150.03224	0.8
151.00374	13.7
152.01181	6.9
153.01918	2.4
156.05794	1.3
157.02763	0.6
157.06602	1.9
158.03719	1.0
159.04494	1.8
165.01881	1.0
169.01430	1.1
169.06638	0.9
172.05215	1.4
173.06108	6.2
175.03990	0.8
176.01175	0.9
177.05571	13.8
178.99841	7.8
181.06650	0.8
197.06041	0.7
199.07663	2.7
200.04813	1.1
201.05580	8.5
203.03465	1.3
213.05533	1.1
213.11211	0.8
215.07100	6.1
219.06602	1.1
225.05479	1.6
227.12877	1.1
241.05028	1.8
243.06601	17.6
244.06967	1.6
259.06091	69.6
260.06406	4.0
269.04507	3.9
277.18021	0.7
287.05588	43.7
287.14920	2.8
287.18427	1.0
288.05869	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78870	1.3
59.01381	100.0
62.54229	1.4
91.38341	1.6
93.03471	1.8
95.01348	1.8
107.01416	1.4
107.20668	1.4
107.99802	1.4
131.04884	1.5
143.05049	2.1
155.97813	1.6
180.73514	1.6
185.06059	3.6
187.03949	3.6
196.19583	1.9
197.06261	1.9
211.03984	2.1
225.14986	2.7
228.03929	5.0
229.05020	10.4
230.05319	1.6
231.03073	1.5
256.03311	7.5
257.04514	5.5
285.04028	59.0
285.13452	3.6
285.27081	4.3
286.04379	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	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01376	0.3
60.57050	0.3
61.98825	0.3
70.02982	0.9
70.99303	0.9
74.06126	1.9
118.05109	1.1
125.02473	1.0
126.53034	0.3
240.23300	3.0
242.21245	1.4
242.24896	0.4
268.22879	1.2
286.23880	100.0
287.24240	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	285.0398
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.95640	0.3
57.97562	0.6
59.01371	0.9
63.02418	1.4
65.00320	0.7
65.03967	0.4
71.01393	0.4
71.60833	0.4
71.61239	0.3
72.99300	1.1
78.14838	0.3
79.95750	0.3
83.01391	0.9
83.05048	0.3
84.02144	0.3
85.02948	2.3
91.01894	1.2
93.03458	6.0
95.01371	0.4
107.01390	3.2
109.02965	1.8
117.03460	2.2
119.01383	0.5
125.01617	0.3
130.04213	0.5
131.05020	1.3
132.02174	0.4
133.02988	0.7
135.00888	2.7
137.02455	0.8
141.07100	0.7
143.05038	3.6
145.02930	1.3
145.06543	0.4
151.00372	1.2
153.01935	1.1
154.04231	0.8
155.05080	0.9
156.05800	1.0
157.06584	2.6
159.04523	5.5
161.02368	0.4
161.06044	0.4
163.00371	3.5
164.00883	0.6
165.01955	0.7
167.05029	1.4
169.02876	0.4
169.06584	1.6
169.12309	0.5
171.04521	1.5
171.10321	2.3
173.02452	0.6
173.05986	0.6
174.03146	0.4
182.03737	0.6
183.04526	1.7
184.05208	1.0
185.06062	6.0
186.02934	0.4
186.06271	0.4
187.03999	7.8
188.04329	0.7
189.05611	1.6
195.04591	1.6
195.14018	0.3
197.06093	2.1
197.11845	3.0
198.03168	0.5
199.03976	1.4
200.04517	0.4
201.05522	1.5
211.03999	3.8
212.04544	1.2
213.02051	0.3
213.05605	3.1
214.02589	0.8
215.03461	0.7
221.11845	0.4
223.04070	0.7
223.13420	0.9
226.11307	0.3
227.03499	5.4
228.03862	5.6
229.05051	20.3
230.05388	1.5
239.03476	2.4
240.04204	1.9
241.01213	0.4
241.05034	2.7
242.08325	0.3
243.02975	1.0
255.02940	2.1
256.03339	11.2
257.04547	9.6
258.04929	0.3
267.03003	1.4
268.03592	0.4
281.55792	0.3
284.26682	2.7
285.03992	100.0
285.13269	6.2
285.27072	1.1
286.04340	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.04
Annotation	Fisetin
Peak:m/z	Relative Intensity
59.01376	1.0
63.02400	0.9
64.82876	0.1
65.00322	0.7
65.03951	0.1
67.01897	0.3
68.99861	0.1
69.03411	0.1
69.30556	0.1
69.30832	1.0
72.09623	0.1
79.01876	0.2
83.01395	1.1
84.01753	0.1
88.04044	0.6
91.01885	0.5
93.03458	3.1
95.01365	0.5
107.01382	1.5
108.02168	0.5
109.02961	1.0
111.08183	0.1
115.05497	0.1
117.03461	1.0
119.01398	0.4
119.05029	0.3
121.02984	0.3
123.00869	0.5
123.04493	0.5
129.03493	0.1
130.04224	0.3
131.05009	0.3
132.02139	0.1
133.02963	0.4
135.00861	0.6
137.02457	0.9
141.07106	0.2
143.05025	1.5
144.05405	0.1
145.02959	0.9
145.03969	0.1
145.06586	0.2
146.03200	0.1
147.04570	0.1
151.00357	1.3
153.01979	0.1
154.04272	0.9
155.05049	0.7
156.05782	0.3
157.02975	0.4
157.06548	1.0
158.03731	0.4
159.04510	1.3
161.02481	0.7
161.06058	0.1
163.00450	0.8
164.01149	0.4
165.01984	0.5
167.05026	0.7
168.05782	0.3
169.01505	0.2
169.06615	1.1
170.03662	0.1
171.04518	1.6
173.02452	0.7
173.06078	0.3
174.03265	0.1
175.03963	0.2
182.03824	0.1
183.04547	0.6
184.05283	0.5
185.06071	2.3
186.06323	0.2
187.01312	0.1
187.04005	1.9
188.04333	0.1
189.05545	0.3
190.22000	0.1
191.03517	0.2
192.00702	0.2
195.04480	0.5
196.05157	0.1
197.06038	0.3
198.03252	0.2
199.03941	0.4
201.05539	0.6
210.03117	0.1
211.03986	1.6
212.04593	0.3
213.05493	0.9
214.02643	0.9
214.05829	0.1
215.03519	0.7
217.04922	0.1
219.03011	0.2
223.04039	0.2
227.03540	0.9
228.03957	0.3
229.05049	2.3
229.07225	0.2
239.03465	1.8
240.04185	0.5
241.05031	0.5
241.11952	0.3
243.03041	0.6
255.03011	0.5
256.03595	0.4
257.04532	0.7
267.03036	0.2
268.03796	0.5
284.03418	0.3
284.26691	0.5
285.04037	100.0
286.04382	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	282.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65447	0.2
59.01387	0.4
64.49206	0.2
66.00984	0.5
69.66440	1.4
71.01362	0.2
71.85419	0.2
72.45822	0.2
78.00960	0.2
78.95906	0.2
82.04121	1.3
101.83998	0.2
107.03638	4.8
108.02041	9.2
126.03094	5.3
133.01567	31.7
134.01895	0.7
150.04216	100.0
151.02727	0.4
151.04657	1.9
152.00928	0.2
164.05827	0.3
241.40839	0.2
242.46133	0.2
282.08432	25.9
283.08759	1.5
283.26428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
69.61827	0.8
69.62250	2.0
91.96388	0.5
107.05032	100.0
108.05344	4.2
146.83041	0.5
161.80595	0.5
163.11290	97.7
164.11591	4.9
256.54730	0.4
283.17041	88.1
283.23474	2.0
283.26404	46.8
284.17365	7.9
284.26663	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	284.1252
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
57.65811	0.8
58.02977	1.1
69.82652	0.9
70.66534	2.7
74.29868	0.9
78.06213	0.8
78.95904	1.5
82.02990	3.2
83.06147	9.5
84.04531	1.6
85.04077	1.4
101.07221	2.8
101.44648	0.8
109.04058	2.6
110.02493	1.0
111.05622	1.6
113.07212	63.9
114.05605	2.2
114.07530	1.2
122.03716	1.3
123.04506	1.4
126.01975	2.1
127.05145	20.5
128.03532	4.2
138.05600	1.3
139.08774	4.6
145.06186	8.2
153.10297	1.1
155.08250	1.8
156.06676	2.2
167.73373	0.8
176.10609	0.9
178.09782	1.6
180.11430	92.7
181.09958	1.6
181.11766	4.1
195.11475	1.0
198.12482	81.8
199.12790	4.0
206.09344	3.6
224.10400	16.4
240.13541	2.5
242.11429	8.1
245.27713	0.9
266.11444	46.4
267.11752	3.1
284.12512	100.0
284.26758	10.8
285.12836	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	281.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81945	0.5
56.98035	1.6
58.99607	100.0
59.01380	4.8
59.99953	0.7
61.98841	4.6
63.96242	4.0
67.72003	0.7
71.01390	2.4
71.08162	0.6
71.08488	1.0
72.99310	4.7
73.72087	0.6
73.98334	2.5
74.99102	34.0
85.02977	1.0
87.00877	10.0
89.02457	0.9
89.11518	0.5
98.23389	0.6
100.97682	0.7
101.02443	1.3
109.02965	2.5
110.95809	1.2
112.93744	0.9
117.97313	1.3
120.99680	0.9
127.00375	0.8
135.98387	4.0
136.17699	0.6
136.99158	24.4
147.01219	2.5
150.04259	2.9
153.28799	0.6
157.06935	3.3
159.38280	0.8
161.04614	0.9
175.08003	1.6
178.03346	0.5
193.09039	2.4
221.06560	1.0
263.09628	2.6
281.10693	45.2
281.24847	2.3
282.10980	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01365	0.6
67.84090	0.2
70.29379	0.6
73.39671	0.2
91.27604	0.1
96.14266	0.2
96.62296	0.2
96.96037	0.8
148.73811	0.1
174.01715	0.3
195.62498	0.2
253.95392	0.2
261.22186	0.5
274.91190	0.2
279.23279	100.0
280.23630	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.62432	0.3
59.01396	0.4
59.13910	0.3
60.04346	0.3
70.18382	1.0
70.18793	0.5
84.60739	0.3
85.23148	0.3
98.20522	0.4
164.91353	0.3
279.23288	100.0
280.23691	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01365	0.7
66.49766	0.4
79.40428	0.3
96.96017	0.5
115.92068	0.4
133.84879	0.3
134.89447	0.5
142.55858	0.3
149.14316	0.3
165.09966	0.5
225.98997	0.3
243.79016	0.4
261.22208	0.6
268.12393	0.4
279.23273	100.0
280.23608	8.1
288.85565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0827
Annotation	4-Hydroxyphenylacetylglutamic acid
Peak:m/z	Relative Intensity
59.01372	3.6
63.96243	0.8
68.99818	20.5
69.51935	3.4
69.52345	1.4
71.01365	2.4
88.11809	0.7
94.06626	8.3
96.96019	2.0
96.99311	15.9
98.20585	1.2
101.28555	0.6
106.06630	10.8
108.08176	1.1
109.02926	1.6
113.02481	0.7
118.06628	0.7
120.08197	11.8
122.06123	36.9
124.07677	1.0
131.03773	0.8
132.08205	1.1
133.05309	2.2
134.06139	9.9
135.04527	1.9
136.07663	8.3
146.06126	8.2
148.07675	9.5
150.05637	1.1
152.07191	3.9
161.02409	1.1
161.04712	2.0
162.05589	4.0
164.07141	11.5
174.05592	2.7
175.04048	1.0
176.07155	19.3
177.07417	0.8
177.94601	0.6
180.06636	1.2
192.06664	16.7
193.07034	0.7
196.99324	0.8
220.06136	65.7
221.04588	1.0
221.06458	4.0
250.12059	0.7
280.08246	100.0
281.08688	5.6
281.24768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01375	2.4
68.60174	0.2
69.19312	0.1
69.28844	1.7
71.01368	0.6
83.05035	0.2
91.96861	0.2
92.92273	0.1
120.03227	0.2
127.07615	0.5
153.18285	0.2
181.95409	0.2
205.15942	0.2
233.22751	0.6
239.93684	0.2
259.20685	0.6
275.20135	0.7
277.21698	100.0
278.22055	7.9
298.54776	0.2
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
50.96961	0.4
57.66750	0.4
59.01372	0.8
64.76698	0.4
69.50397	3.3
77.29147	0.4
88.81054	0.4
98.20590	0.9
109.04436	0.3
114.18627	0.4
144.08165	0.4
233.22646	0.5
241.85667	0.4
277.21713	100.0
278.22049	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	279.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13497	1.0
55.01885	1.2
59.01380	2.1
64.95279	1.3
67.45155	0.9
69.12137	1.0
71.01395	1.3
72.67159	1.0
74.57092	1.0
79.95727	1.5
80.96541	1.6
83.01402	2.0
83.05014	1.1
99.00866	1.2
112.98826	4.2
142.99863	4.0
146.08223	3.3
173.00935	2.9
174.01700	100.0
175.01987	1.6
279.12146	3.4
279.23245	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
56.17764	0.7
59.01376	0.9
64.50811	0.8
68.73655	0.8
69.26579	1.0
70.37621	3.1
75.27309	0.9
112.98795	3.1
142.99847	3.2
152.43195	0.9
167.18736	0.9
173.00969	1.2
174.01694	100.0
175.02036	2.9
197.85530	1.0
206.61992	0.8
218.93202	1.0
250.37650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71727	0.8
70.99704	1.9
71.00024	1.2
83.01401	2.5
99.76387	0.9
112.98798	1.6
128.20799	0.8
137.59834	0.8
142.99847	3.8
171.11461	1.0
173.00909	1.8
174.01700	100.0
175.02040	2.5
176.37885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63421	7.9
59.01375	19.7
63.96239	45.2
64.97020	19.0
70.78178	7.2
70.78510	16.5
71.01373	21.4
78.95940	7.5
78.98627	6.8
83.01402	8.5
85.02984	8.7
85.21394	6.4
87.00880	100.0
87.79861	6.6
89.02466	6.5
92.05075	15.2
96.96986	11.6
99.00873	17.1
105.01939	24.9
111.00920	17.0
112.98795	57.1
117.05603	9.8
122.02821	7.2
129.01968	9.1
142.99883	19.6
146.89871	14.1
154.05124	13.0
162.89372	8.8
204.15782	7.7
209.33336	7.2
216.90291	10.5
266.86359	6.4
279.01819	11.4
279.10791	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
62.48284	0.6
71.01373	1.1
71.61547	0.7
97.58751	0.6
114.06728	0.6
233.22775	0.6
259.20593	0.6
277.21716	100.0
278.19061	0.7
278.22012	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23643	0.2
59.01385	2.7
60.46244	0.2
71.01385	0.4
71.38409	0.2
71.38744	0.2
80.52486	0.2
83.04983	0.4
114.00539	0.2
123.64100	0.2
127.07573	0.4
146.12572	0.2
205.16005	0.3
230.77890	0.2
233.22758	0.5
259.20749	0.3
275.20117	0.4
277.21710	100.0
278.18823	0.3
278.22061	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02783	0.4
59.01388	1.7
66.51510	0.3
71.01373	1.1
98.19900	0.8
98.20550	0.9
100.46344	0.3
101.07272	0.3
101.43960	0.4
107.53204	0.3
121.02934	0.4
146.08185	0.3
183.28690	0.3
186.25621	0.3
192.71259	0.3
205.15755	0.3
259.20596	0.6
275.20236	0.5
277.21713	100.0
278.22095	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
52.52124	0.4
55.52214	0.3
57.23655	0.3
59.01144	1.0
59.01477	4.6
60.97585	0.5
69.35552	0.7
69.35960	2.6
71.01447	0.4
72.29581	0.3
98.20738	0.6
103.02285	0.7
108.04398	0.3
116.92929	0.7
121.03250	3.9
124.07610	0.3
134.89519	0.9
147.08461	3.9
149.00981	0.6
165.00439	11.3
166.00485	0.7
171.68910	0.3
180.99966	0.8
188.46898	0.4
189.04187	1.0
191.05652	9.4
191.07307	0.6
192.05798	0.7
196.02281	0.4
205.07256	1.1
205.15993	2.0
207.05157	0.6
217.07263	0.8
231.08752	1.1
233.10333	100.0
234.10489	8.7
241.79314	0.7
259.15414	1.1
277.16544	82.3
277.21588	71.0
277.24420	1.4
278.16650	9.1
278.21924	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	277.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	2.4
59.01389	4.9
63.96216	1.1
69.70836	2.4
69.71249	1.6
70.02978	12.0
71.01425	0.7
71.02497	0.8
71.05025	20.7
72.00919	3.0
73.01147	0.9
75.00845	0.7
79.95743	5.6
80.96511	0.8
81.95300	1.0
85.02963	0.8
87.05643	7.3
91.05534	4.1
99.04515	6.3
101.02483	0.8
102.13583	0.6
104.98357	0.8
111.92954	5.1
112.07708	1.4
113.92516	2.7
115.05149	1.9
116.07168	3.2
129.05591	1.7
129.10345	69.8
130.03328	10.1
130.10693	1.2
131.07167	2.8
135.04306	0.6
146.08234	92.8
147.04523	20.8
147.05954	5.4
147.08530	1.5
148.04901	1.0
154.74620	0.6
154.99332	0.8
164.07167	17.1
184.94029	1.8
186.93661	1.2
217.11938	21.8
218.12384	0.9
233.16568	6.5
243.13496	0.7
265.17636	0.7
277.12338	39.5
277.15588	100.0
278.12634	2.9
278.15903	7.1
294.14694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.6
66.63168	0.5
70.88766	1.0
70.89104	0.9
71.01401	0.6
78.95909	42.1
83.44820	0.5
87.00884	0.8
88.90102	0.5
96.00943	0.6
96.96970	100.0
103.72431	0.4
128.03568	0.6
145.03111	0.7
149.04634	0.5
157.03131	1.3
162.89270	0.6
175.04218	1.7
245.04778	0.6
277.07675	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	277.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	11.7
56.98032	13.1
57.03462	1.6
59.01368	6.8
67.01877	3.7
67.54896	2.0
69.03443	5.1
70.10962	2.5
70.99606	32.8
71.01385	22.4
71.05016	2.5
71.60825	2.2
72.99325	1.9
73.01187	3.8
73.02946	11.3
74.99065	1.7
75.00874	2.0
79.01893	4.4
81.03456	4.5
82.99614	37.7
83.01373	11.9
85.01162	4.5
85.02949	5.3
86.99102	58.0
87.00875	4.9
87.05634	1.8
89.00669	50.0
89.02438	2.6
93.03444	4.2
95.01375	3.4
95.05015	2.1
97.02971	3.5
98.99110	12.5
99.00877	19.7
100.11260	1.6
101.00700	4.3
111.00875	18.3
111.04523	3.4
112.98809	43.3
113.00671	10.2
115.00365	5.4
117.01945	2.2
121.02928	4.8
123.00891	6.1
123.04531	6.4
124.99609	1.5
125.02454	12.0
126.98599	100.0
127.99370	7.4
129.00162	6.5
129.01912	3.3
137.02431	6.0
137.42641	1.7
139.03995	4.8
141.00157	11.6
142.99860	14.3
143.01678	2.4
144.00186	1.8
144.99649	1.9
146.08199	11.5
151.00380	4.3
154.99895	3.8
156.00639	3.4
156.99640	14.6
157.01413	3.1
167.03510	5.2
173.00923	12.7
174.01669	3.9
184.99126	5.1
193.01393	6.3
201.02257	9.9
203.88213	1.7
217.01744	11.3
217.11954	3.2
245.01262	32.1
250.44713	1.8
277.03714	10.8
277.12262	5.5
277.21765	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	277.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.3
56.98013	6.3
58.02950	5.5
59.01378	7.1
61.98837	4.2
64.95245	12.8
68.99831	4.1
70.02975	8.9
70.99613	31.0
71.01373	25.1
71.05019	18.1
73.01176	4.2
73.02932	13.2
77.31466	4.9
78.95892	4.0
81.03466	7.6
82.99612	39.7
83.01392	11.8
85.01226	3.9
85.02934	6.2
86.99093	56.0
87.00883	5.5
87.05640	13.3
89.00668	47.2
93.18501	3.5
95.04961	3.8
97.02913	5.4
98.99103	12.8
99.00881	22.2
99.04498	5.5
101.00673	7.2
106.99956	11.4
111.00869	22.2
111.04517	4.5
112.98812	44.6
113.00645	14.8
116.07181	4.1
117.39880	3.7
121.02945	8.1
123.00883	8.4
123.04519	7.0
125.02444	19.1
126.98610	89.4
130.03323	9.6
137.02509	4.5
139.03999	5.1
141.00151	8.9
142.99875	19.5
146.08235	100.0
156.99646	16.7
157.01273	4.2
165.26196	3.9
171.22255	4.1
173.00841	12.0
183.61957	4.0
184.99142	4.4
193.01360	7.9
201.02234	10.2
205.12367	7.7
217.01611	6.1
217.11942	29.1
233.11766	32.9
245.01205	30.6
259.09763	8.2
277.03787	8.9
277.11005	24.9
277.12054	28.5
277.18640	5.3
277.21655	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1073
Annotation	(1E,6E)-1,7-Diphenyl-1,6-heptadiene-3,5-dione
Peak:m/z	Relative Intensity
63.86215	0.5
70.02983	1.5
70.35929	0.9
70.36323	1.2
71.01380	4.5
71.05019	33.4
71.99140	1.7
72.00913	2.1
72.99935	1.4
73.01165	1.4
74.00695	18.7
82.02978	9.3
83.45897	0.6
93.43611	0.5
94.02982	1.3
94.61923	0.5
97.75300	0.5
98.06129	0.6
99.04515	12.1
101.00673	3.2
105.18096	0.6
110.00687	5.5
111.05628	5.5
114.14866	0.5
116.01762	0.7
116.07170	5.8
120.99641	4.0
128.01765	79.8
129.02063	1.8
129.05574	2.4
145.04417	13.9
146.08229	91.7
147.08549	2.4
168.04820	3.1
168.65559	0.5
200.09222	0.6
208.38869	0.6
212.03835	0.5
257.09857	1.0
275.10706	100.0
276.11047	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	275.2018
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
59.01359	3.3
70.92994	6.0
74.53956	3.0
116.92869	4.5
121.00615	3.0
199.11375	3.1
231.21182	100.0
232.21480	9.3
275.20074	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
60.77492	0.2
61.97121	0.2
71.60442	0.4
78.95905	30.0
79.95742	0.6
96.96007	8.7
96.96964	8.4
116.93965	0.3
120.94507	0.3
134.96112	0.4
134.97060	6.1
136.94009	100.0
137.94077	5.0
154.95041	0.5
158.92520	0.5
160.20996	0.3
176.98091	1.8
178.95105	2.4
179.01151	1.8
216.89662	75.1
217.89749	4.4
234.90733	29.1
235.90852	1.9
247.87274	0.3
276.88895	0.4
276.92014	1.8
276.98788	20.5
277.21622	0.3
277.98901	0.5
294.85559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74015	0.7
63.96241	84.9
69.03459	0.7
72.99312	1.4
73.01173	21.0
78.96814	3.4
79.95733	7.4
80.96507	0.8
85.02962	2.7
87.04522	2.2
89.00691	1.4
95.93458	100.0
95.95200	7.1
96.94242	0.6
96.95975	1.0
97.02970	1.3
98.20583	1.4
99.00909	1.4
104.98392	1.0
105.00179	2.3
111.92953	5.2
115.07632	1.9
122.95816	19.3
136.97382	1.2
137.98160	3.0
159.02904	1.1
168.94577	1.1
171.10245	2.1
184.94073	1.8
202.03383	0.7
210.99265	94.2
211.99542	2.8
274.99042	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	274.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99606	0.7
59.01365	0.5
63.96238	100.0
70.99610	0.5
73.01173	17.0
75.00859	0.5
78.96805	2.8
79.95738	4.9
80.96520	1.2
89.00684	2.0
92.55756	0.5
95.47207	0.5
95.93456	73.0
95.95216	10.4
96.94241	1.0
98.19821	0.9
104.98377	0.6
105.00166	2.6
111.92935	0.9
112.93713	2.1
113.06083	2.0
120.99625	0.6
122.95807	20.3
137.98178	3.7
143.90117	1.2
144.90898	0.8
149.13921	0.5
168.94522	3.0
210.99255	62.8
211.99611	2.5
216.12238	0.6
254.77686	0.6
274.99075	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	274.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58286	0.5
58.99622	0.9
63.94489	0.7
63.96241	84.2
67.97221	0.7
70.02825	3.0
70.78270	0.6
71.01371	0.7
73.01175	25.6
73.72559	0.6
74.73466	0.6
78.96822	2.2
79.95740	9.9
86.02496	0.9
89.00679	2.7
89.76428	0.5
95.93459	100.0
95.95205	7.8
96.93442	0.6
96.94210	1.3
104.93504	0.6
104.98398	1.1
105.00154	2.5
111.92967	1.4
112.93748	1.2
120.99624	0.8
122.95816	20.6
137.98172	2.6
138.98940	0.6
143.90170	5.0
168.94580	0.8
175.33649	0.6
210.99263	94.7
211.99542	3.2
258.71948	0.6
274.95947	1.1
274.99054	5.9
290.31522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62097	0.5
53.96707	0.4
64.95249	7.9
71.05016	0.9
74.00704	0.8
79.63898	0.5
79.93951	2.4
79.95737	100.0
80.94743	1.4
80.96515	5.6
83.02612	0.5
95.93433	1.1
95.99309	0.5
98.20659	1.7
112.93733	21.0
114.01485	0.8
122.04237	0.5
127.02259	1.3
128.01761	2.8
129.03799	10.0
143.90150	61.7
144.89931	1.0
144.90941	8.9
146.08218	2.8
161.01007	1.6
165.99321	0.5
194.99834	1.0
209.06294	0.5
274.95453	34.5
275.10754	3.8
275.95685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51151	0.4
64.95252	6.5
65.11837	0.4
67.02045	0.5
67.79939	0.4
70.61256	1.6
79.43016	0.4
79.93958	1.6
79.95740	59.6
80.94742	1.4
80.96518	22.1
87.65137	0.5
94.54150	0.4
95.93434	0.8
105.54778	0.5
112.93737	100.0
112.98838	0.6
113.93671	0.8
127.02217	1.1
129.03813	14.3
139.82100	0.4
143.90155	22.2
144.90941	20.7
161.00977	2.0
167.80161	0.4
194.99760	0.8
217.08531	0.5
232.17519	0.5
274.95456	16.2
275.11011	0.5
275.95779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66799	0.4
55.38427	0.4
55.54102	0.4
62.23365	0.5
62.49037	0.4
63.09807	0.4
63.96239	9.4
64.95248	1.2
66.99363	0.4
69.51781	3.3
70.99615	0.4
73.01171	2.6
79.95738	72.3
80.94724	0.7
80.96508	3.8
91.92442	0.4
95.93469	1.9
96.96009	0.7
97.02947	0.5
104.88001	0.5
104.98374	5.5
109.04052	1.2
111.92948	100.0
112.92968	0.9
112.93691	3.1
118.96323	1.1
120.74406	0.7
120.97868	2.0
122.95818	0.6
124.60371	0.5
127.05119	6.7
143.90144	2.8
144.90910	2.3
184.94058	49.2
185.94199	0.9
194.90886	0.6
195.01547	0.8
210.99272	1.9
237.00188	0.5
274.95432	1.4
275.10428	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	273.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73581	0.4
60.60685	0.4
69.63505	2.8
69.64559	0.3
74.00636	0.4
81.03470	0.5
91.01894	1.7
98.20601	0.7
108.02182	3.4
108.02847	0.6
109.02956	53.9
110.03312	1.4
122.60303	0.4
123.08151	0.5
125.03089	0.5
135.00926	0.4
138.03848	0.6
149.06129	1.0
153.01939	100.0
154.02263	2.9
179.02028	0.4
199.88083	0.4
211.01482	0.4
273.17105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72236	3.6
54.67048	3.8
57.01164	5.0
59.01371	5.7
59.03269	4.1
60.82584	4.3
61.98837	6.4
65.44283	4.1
65.51382	4.7
68.02713	4.2
71.60747	6.0
81.17484	4.5
82.59433	3.8
108.02174	24.8
109.02950	40.8
109.59508	4.0
116.92838	5.3
153.01942	100.0
193.07666	5.2
273.03427	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	273.0769
Annotation	Lecanorin
Peak:m/z	Relative Intensity
59.01379	1.2
64.95251	12.2
65.00301	1.3
67.01909	2.3
70.89417	3.8
73.69638	1.2
79.05532	1.7
79.93963	1.3
79.95741	32.5
80.96516	5.6
81.03462	59.5
93.03448	9.3
95.01384	3.5
95.91685	2.2
96.96023	1.7
99.23238	1.1
101.04292	1.4
102.31548	1.3
105.03455	3.0
106.04265	3.9
106.63107	1.1
107.01415	4.2
108.02194	3.7
109.02947	5.5
112.93767	1.5
122.03730	3.3
123.04526	87.5
124.04891	2.1
125.02460	1.5
127.02233	2.7
128.03561	4.0
129.03876	1.5
135.04562	4.3
137.02440	4.2
143.04655	4.6
143.90131	9.6
144.04948	3.0
144.90967	3.0
145.03284	2.5
149.02446	37.5
153.01917	1.8
163.04015	33.3
167.03490	2.5
178.06348	27.3
179.06796	3.0
185.06099	8.0
187.07660	1.9
192.98148	2.3
193.08704	22.4
211.07599	3.0
227.07138	11.1
229.08707	26.4
230.09152	1.3
255.06631	100.0
256.06946	8.4
272.93936	10.0
273.04367	25.5
273.07684	94.5
273.17068	3.9
274.04977	1.5
274.07971	6.8
274.17087	1.3
294.43353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01849	0.3
58.02976	14.2
66.03485	1.5
68.05048	0.6
69.56561	2.8
70.02964	0.6
71.01392	1.0
71.69948	0.5
72.00925	1.3
74.02473	21.0
74.35945	0.4
74.99100	0.8
78.95916	0.5
80.03802	0.6
81.04590	0.9
82.02983	2.3
84.04556	0.9
86.02480	12.0
86.06131	1.6
87.00924	0.5
87.05637	6.8
88.04041	8.7
96.04574	0.6
97.02975	0.4
97.04074	4.2
98.02511	0.5
99.05644	24.5
100.00376	0.4
100.04057	0.7
101.07208	2.3
102.05599	2.7
107.06158	0.9
109.04089	2.4
109.07710	1.1
110.02476	0.6
111.05619	2.1
112.04038	3.3
113.03606	0.5
113.07221	0.9
123.05664	1.9
124.03969	1.0
125.03567	1.3
127.05132	1.5
128.03542	62.6
129.03877	1.2
135.05640	3.7
137.07195	1.3
141.06689	2.0
143.04622	100.0
144.05029	1.9
145.06212	3.4
146.04593	7.0
153.06677	2.6
153.10423	0.5
155.08266	1.2
157.13460	0.7
164.08244	0.7
166.09842	4.0
167.04620	3.2
167.08234	1.0
179.04622	13.3
179.06206	0.6
180.04938	0.5
181.06198	2.8
183.11374	1.1
184.10887	1.5
185.05685	2.9
192.07745	1.2
197.05606	1.0
210.08833	16.8
211.09166	0.9
228.09843	1.7
228.17178	0.8
243.46347	0.4
249.54916	0.5
254.05334	0.8
254.07819	10.0
270.00659	0.7
272.08893	12.7
272.11969	0.9
272.16122	4.4
273.09164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.76898	0.5
57.03464	0.5
58.02988	0.5
59.01383	1.2
61.98819	1.2
63.02401	11.1
64.02737	0.5
65.00323	17.6
65.99172	0.6
69.01086	0.4
70.06863	2.1
71.01375	0.5
73.01170	1.1
74.02478	0.9
79.95721	0.8
83.01382	12.9
83.05037	0.6
86.15111	0.5
93.03455	14.9
93.20535	0.5
94.31435	0.4
99.05636	0.7
107.01388	28.5
108.02251	0.6
112.34727	0.5
119.05025	77.2
120.05353	3.1
121.02943	1.1
125.02451	1.2
128.03523	2.0
137.02464	0.8
143.04553	3.1
145.02948	2.0
149.02454	0.5
151.00366	71.3
152.00694	1.5
161.06056	1.5
165.01950	2.9
169.01411	4.8
177.01907	10.2
177.03314	0.9
181.06302	0.5
185.06038	1.9
187.04018	3.4
209.15462	0.8
211.15164	0.6
226.30005	0.5
227.16626	0.8
229.05026	1.0
235.13399	1.3
238.13582	1.6
253.14371	1.8
253.16475	0.9
271.06110	100.0
271.15378	3.2
271.19232	1.7
271.22733	2.0
272.06467	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	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.86696	0.6
59.01371	0.5
69.97994	2.4
80.61443	0.5
98.19911	0.6
108.42526	0.5
121.96514	0.5
150.51720	0.4
152.62085	0.5
225.12770	0.5
225.22194	3.3
253.21774	1.6
269.21127	1.0
271.22772	100.0
272.23102	6.6
292.54013	0.5
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	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01380	100.0
60.01705	1.0
70.84634	1.8
70.84959	0.9
78.18571	0.8
102.37232	0.8
139.00359	0.9
192.35809	0.8
225.22192	1.9
268.43887	0.9
271.22781	63.4
272.23196	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	271.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08909	0.5
64.02840	0.5
67.60513	0.5
69.76178	1.4
69.76591	2.0
72.54769	0.6
89.04436	0.5
98.19872	1.1
132.96022	0.6
197.19043	1.0
209.19067	0.8
211.20702	1.4
221.69902	0.6
225.22246	1.6
227.33334	0.5
253.21666	1.3
271.22772	100.0
272.23120	6.9
287.62680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
52.86934	0.4
54.33796	0.3
59.01382	0.7
61.22818	0.3
69.97675	1.7
98.20554	0.5
197.19081	0.7
221.19081	0.8
223.20657	3.6
225.22241	65.7
226.22607	3.6
253.21751	1.6
269.21420	0.5
271.22778	100.0
272.23154	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	272.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00874	0.2
58.02976	14.7
63.06842	0.2
66.03484	1.3
67.03030	0.3
68.05042	0.8
69.41009	1.8
70.02970	0.6
71.00467	0.2
71.01383	0.9
72.00909	1.2
74.02473	20.4
75.76849	0.2
79.95737	0.7
80.03802	0.5
81.04581	0.9
82.02982	1.9
83.02510	0.3
84.04539	0.6
85.04099	0.5
86.02481	10.8
86.06122	1.5
87.05640	6.7
88.04022	1.3
94.03010	0.2
94.06649	0.2
95.02505	0.3
95.06146	0.4
96.04552	0.7
97.04075	3.7
97.07752	0.2
98.06105	0.7
99.05643	25.7
100.00420	0.3
100.04012	0.2
100.05969	0.4
101.07206	2.8
102.05602	3.0
107.06139	1.1
108.04565	0.3
109.04065	2.5
109.07703	0.9
110.02495	0.4
110.06128	0.3
111.05652	2.0
112.04043	3.0
112.93718	0.3
113.03568	0.9
113.07187	0.5
117.99910	0.2
121.04076	0.3
123.05648	1.8
124.04055	0.8
125.03548	1.7
127.05148	1.2
128.03540	58.9
129.03850	1.2
130.03889	0.4
130.05009	0.2
135.05638	3.6
137.07210	1.5
138.05582	0.3
139.01457	0.4
139.05151	0.3
139.08713	0.4
141.06693	2.4
143.04622	100.0
144.05013	2.1
145.06197	2.7
146.03421	0.3
146.04588	6.5
149.07207	0.8
153.06680	2.0
155.08293	1.0
161.29962	0.2
164.08253	0.5
166.09836	3.9
166.11136	0.3
167.04604	2.6
167.08267	1.6
170.03316	0.5
171.04114	0.2
171.19064	0.2
179.04623	12.6
180.05029	0.4
181.06210	2.3
184.10854	1.6
185.05682	2.7
188.62494	0.2
192.07784	1.1
197.05615	1.2
199.07207	0.4
210.08838	16.2
211.09160	0.6
228.09822	1.3
236.06717	0.3
254.07811	9.9
255.08153	0.5
272.08868	12.5
273.09198	0.6
273.13077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.01377	0.8
61.98825	2.1
63.02390	1.7
65.00330	2.8
67.80885	0.5
71.60783	0.5
73.02957	1.4
79.95730	0.6
83.01390	1.7
86.62710	0.5
87.04489	1.1
89.92557	0.8
105.03450	0.9
107.01391	5.9
117.02626	1.3
117.03468	24.5
118.03774	1.0
121.02951	2.0
149.02457	8.9
151.00380	10.7
151.09540	0.6
155.07121	2.0
159.04507	2.0
169.06540	0.8
180.05786	1.0
181.06554	1.1
183.04561	1.5
185.02408	0.9
197.06152	0.6
201.05579	1.7
205.92442	1.0
218.31148	0.5
219.24800	0.7
222.37788	0.7
225.05547	3.8
225.14963	13.3
227.03508	1.3
251.12897	1.1
269.04550	100.0
269.13818	2.5
269.17560	2.1
269.21201	7.0
269.24796	3.4
270.04926	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1296
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
60.01846	0.5
61.98795	0.6
62.96395	1.0
70.17927	1.2
70.18341	0.8
73.01163	0.4
73.42524	0.4
77.51704	0.5
98.20008	0.6
120.04498	0.4
128.22304	0.5
135.06683	0.4
148.07721	0.5
163.26758	0.4
186.95570	0.5
210.09250	1.6
211.08730	12.3
211.13290	0.5
225.06822	0.8
225.10318	16.9
226.10757	2.7
226.93272	0.6
237.17192	0.4
239.08223	8.1
241.13443	0.7
253.09793	4.6
254.10583	56.1
255.10933	3.5
269.12936	100.0
269.21170	6.5
269.24780	2.9
270.13266	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	269.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
59.01380	100.0
61.98828	1.8
69.39962	5.1
69.40378	1.7
73.01179	0.6
83.05025	1.2
87.00885	1.5
90.04794	0.7
97.06593	1.3
99.04520	5.0
109.06641	1.1
121.06620	1.3
163.11314	1.2
165.12859	10.6
166.91060	0.8
181.12381	0.9
189.12845	1.2
197.18982	0.9
205.92461	1.1
207.13907	18.1
209.11833	19.6
210.12073	1.0
224.57948	0.8
225.14992	11.1
225.22305	1.1
226.93188	0.8
251.12845	8.3
252.13203	0.8
254.10616	2.4
269.13953	72.9
269.21240	10.0
269.24884	5.2
270.14392	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	267.0661
Annotation	Dorstegin
Peak:m/z	Relative Intensity
59.01369	2.7
63.96226	3.1
64.95237	1.4
70.16237	1.1
70.67039	3.1
71.01388	2.1
77.59978	1.0
79.28030	1.0
83.04967	1.0
89.94193	1.1
98.95593	1.4
101.02464	1.7
105.00172	1.5
106.99964	1.3
107.01638	1.3
107.78857	1.0
112.09179	1.1
121.02954	1.2
143.17284	1.0
148.56253	1.1
197.06071	100.0
198.06418	6.8
209.04652	2.3
223.07657	4.1
249.14876	1.3
264.62198	1.3
267.06613	39.1
267.16071	1.8
267.19458	2.5
268.06927	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	267.0719
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
59.01370	4.7
67.86468	1.7
69.92918	6.7
69.93322	4.4
70.11501	2.1
71.01382	3.8
74.22193	1.8
75.48772	1.7
85.02958	4.0
87.00875	100.0
129.01897	3.2
139.05759	1.9
147.02983	2.3
210.94997	2.1
227.57704	1.9
267.07205	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	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03448	3.7
59.01380	100.0
60.01719	0.9
63.96243	1.5
71.01401	1.0
71.05029	2.0
71.60970	0.8
71.61417	1.3
73.01208	0.8
79.95760	1.7
80.96533	0.6
82.05724	0.7
83.05035	2.2
87.00887	3.0
96.95970	0.9
105.00163	2.8
106.99785	1.0
112.98008	0.6
120.99725	0.6
121.02959	1.2
123.04419	0.7
155.25499	0.7
161.04538	0.7
161.13347	2.3
163.11302	1.1
180.30414	0.6
187.11331	1.0
205.12389	0.7
207.10323	3.6
223.13402	42.0
224.13824	2.2
267.12344	5.1
267.15106	0.7
267.15958	0.6
267.19742	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	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03455	3.1
59.01383	100.0
60.01720	0.9
60.99325	0.7
71.05030	1.8
71.38508	0.9
81.01157	0.4
83.05048	1.8
87.00893	2.0
87.82200	0.4
99.00900	0.5
99.41017	0.5
105.36317	0.4
106.26944	0.4
114.03841	0.8
125.82300	0.5
161.09816	0.7
161.13374	2.8
163.11334	1.3
183.80905	0.4
187.11324	0.8
205.12381	0.7
207.10295	3.3
223.13399	39.9
224.13760	3.3
267.12479	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	267.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.1
59.01380	100.0
71.05019	1.4
71.19013	1.0
83.05022	1.5
83.24784	0.6
87.00896	2.4
114.03873	0.6
135.85503	0.6
161.13405	2.3
163.11314	0.9
205.12335	1.1
207.10220	4.0
223.13382	34.3
224.13850	1.5
252.04222	0.7
267.06598	1.0
267.12354	9.0
267.15494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37795	2.7
59.01378	3.8
61.98836	100.0
67.83854	3.0
71.01372	3.1
72.38965	2.5
73.04068	9.3
78.95908	3.7
89.90710	2.6
121.91494	3.2
130.08716	6.8
135.01138	3.6
135.03088	5.6
136.03493	5.7
136.93054	3.5
144.83975	2.8
170.08153	2.9
172.97707	3.1
238.09091	7.7
242.24068	3.2
268.04437	3.9
268.07596	4.8
268.10178	6.9
273.45795	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	266.0895
Annotation	Adenosine
Peak:m/z	Relative Intensity
69.75893	0.9
92.02542	1.5
98.19960	0.3
107.03642	5.3
127.05090	0.2
134.04732	100.0
135.04205	0.2
135.05179	2.0
149.07739	0.1
179.37282	0.1
192.92632	0.2
201.04285	0.1
266.08942	8.0
267.09299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1809
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
56.37775	0.7
59.01365	2.3
63.94990	0.9
63.96229	2.8
69.90853	1.7
69.91264	2.3
78.95909	8.2
80.02665	0.8
81.03423	1.6
85.02961	0.8
93.03465	2.0
96.96018	5.5
99.04416	0.8
104.98361	1.1
105.00167	7.1
109.13750	0.9
121.10240	1.3
143.07123	2.3
147.04596	1.0
149.09752	1.8
151.11319	1.0
153.12805	1.6
165.12819	1.0
177.05588	3.5
189.87938	0.9
191.14479	1.1
197.11792	2.0
221.19153	4.1
247.17116	2.6
265.14929	5.4
265.18076	100.0
266.18381	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	265.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14405	1.4
51.20187	1.5
55.01884	8.1
57.03436	6.0
59.01382	55.2
62.15710	1.4
63.96238	2.0
70.89388	1.9
70.89725	3.4
71.01384	81.0
72.00891	3.6
72.99294	4.7
73.02952	21.0
73.04072	100.0
75.00852	1.9
75.49792	1.8
82.02993	2.8
83.01390	11.7
84.04527	1.8
85.02953	40.2
87.00869	3.5
89.02450	16.2
91.05539	3.1
93.77486	1.5
95.01377	6.6
97.02931	1.9
99.00887	9.8
101.02445	65.9
101.06070	2.2
101.07196	2.5
109.04095	2.0
113.01707	2.2
113.02454	33.1
119.03471	3.9
119.05037	5.1
127.05153	23.0
128.03558	2.6
134.04703	3.4
143.03438	3.5
147.04523	27.0
159.02972	6.2
161.04565	25.8
164.05859	2.9
164.07173	49.0
165.07437	1.9
177.10236	2.8
188.60811	1.7
221.09306	86.9
222.09569	4.5
226.32303	1.7
247.10880	8.2
248.11047	1.8
257.37827	2.0
265.11899	64.8
266.11923	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16597	0.6
54.09929	0.6
59.01374	1.6
60.24012	0.6
61.98813	0.8
63.94453	0.7
63.96241	43.4
64.97022	2.1
71.61092	0.9
73.01176	0.9
78.95879	0.8
81.84052	0.7
83.01363	0.6
86.99109	3.4
93.03482	1.6
95.01381	1.0
95.05077	0.6
96.96027	2.1
105.00166	100.0
106.00515	1.1
109.41273	0.5
115.02247	8.2
133.06691	0.7
134.04707	0.8
142.99905	0.7
147.04457	0.6
158.99471	1.8
177.05583	1.9
221.15465	0.8
265.00449	2.9
265.14703	2.9
265.18250	0.6
277.36194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98029	1.2
58.99606	100.0
59.99542	0.5
59.99929	0.5
60.97527	0.5
63.96249	2.8
69.50005	0.3
69.60851	1.1
69.61263	0.8
72.99308	5.8
73.98322	2.7
74.99100	40.1
75.99432	0.5
87.00877	6.7
97.21922	0.3
98.20654	0.5
117.97295	2.4
118.98057	0.3
135.98366	4.7
136.99149	25.8
141.07448	1.2
147.01204	1.4
159.08487	0.8
177.08054	0.7
177.09555	10.7
178.09966	0.4
247.10095	4.0
265.11145	36.7
266.11499	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1193
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
55.01865	5.3
57.03447	2.5
58.00575	1.9
58.02967	2.6
59.01097	2.1
59.01381	35.6
61.98819	1.8
63.96216	2.1
71.01385	55.7
71.15829	2.5
72.00903	4.9
72.99300	2.9
73.02955	14.5
73.04070	98.5
74.02474	4.4
75.00812	1.5
77.36487	1.3
82.02975	2.6
83.01389	7.1
84.04538	4.6
85.02954	26.7
86.02475	2.3
87.00890	3.0
89.02459	8.9
91.05527	1.8
93.65405	1.2
95.01376	3.6
97.02914	1.9
99.00863	7.2
99.05618	1.7
101.02450	49.9
101.07197	8.5
109.04079	5.9
113.02449	22.1
119.03522	1.9
119.05038	6.9
119.89510	1.8
125.02474	2.0
127.05135	52.3
128.03516	6.3
134.04709	4.3
136.03938	1.7
136.07713	1.5
143.03529	2.5
147.04526	25.4
149.23116	1.4
152.24483	1.4
159.02971	3.7
161.04581	20.3
164.07166	48.0
165.07445	3.4
177.10310	3.7
178.08702	2.0
193.60300	1.3
205.03113	1.5
219.11481	2.2
221.09309	96.4
221.12866	4.3
222.09691	4.5
247.10910	14.5
265.11911	100.0
266.12213	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	263.1651
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
56.75224	0.9
59.01381	25.3
61.98827	1.3
62.33881	1.0
63.78023	0.9
70.47927	2.7
80.02752	1.2
111.51083	0.8
119.05055	1.1
143.50020	1.0
147.08200	1.1
148.08945	2.8
149.09660	1.0
151.11307	2.4
163.11284	5.4
165.12848	34.4
166.13361	0.9
177.00623	1.0
189.12959	2.0
191.14395	10.3
198.29219	1.0
219.17563	14.1
245.15479	4.8
247.59468	1.1
263.16525	100.0
264.16919	6.5
275.92981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01373	2.5
60.15203	0.5
65.88040	0.6
69.92155	1.3
69.92551	1.3
71.01357	1.1
75.73325	0.6
93.37377	0.6
99.92606	0.8
134.89476	2.6
136.89188	1.2
171.91022	1.0
184.76523	0.5
211.98683	0.6
231.51366	0.6
245.19252	0.7
262.98386	1.0
263.20154	100.0
264.20499	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	264.0877
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
51.59689	1.6
59.01373	7.0
61.98826	1.5
63.96229	5.7
71.01047	1.4
71.01389	8.3
71.60331	2.2
72.04549	22.8
72.99297	1.8
73.02939	2.5
73.04089	13.9
82.02986	100.0
83.01395	1.9
83.07969	1.4
85.02954	4.4
94.57142	1.7
95.07746	1.6
98.02473	39.4
98.85468	1.4
99.00894	1.7
99.69246	1.3
100.04047	42.3
101.02437	5.8
101.04385	1.5
113.02448	3.8
114.01968	1.8
119.05036	42.2
120.05322	1.6
146.06044	2.1
147.04529	4.2
160.69388	1.6
161.04578	2.9
162.05576	1.6
164.07129	5.9
176.07104	2.4
178.05118	2.0
191.09172	1.4
192.10281	5.1
203.10896	1.9
204.06676	6.0
218.08238	9.6
220.09784	24.3
221.09319	10.6
264.08771	51.6
265.09213	2.6
265.12024	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33673	1.2
52.22559	1.1
54.19496	1.0
59.01382	100.0
69.52377	7.8
71.01384	5.1
73.02940	2.1
82.42548	1.2
85.02956	2.3
86.11093	1.0
87.00869	1.6
87.04507	1.7
94.55881	1.1
97.62035	1.0
98.20604	1.9
101.02452	3.0
114.01971	3.2
125.02432	1.5
155.03310	1.1
225.92435	1.3
233.00908	1.1
263.12762	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	263.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98044	0.6
58.92476	0.4
58.99606	100.0
59.01377	1.3
59.99939	1.1
63.96246	3.1
69.33945	0.4
69.55434	2.6
69.55838	0.8
71.01389	0.9
72.99311	6.3
73.98318	2.6
74.99101	37.3
76.71859	0.4
87.00370	0.8
87.00887	7.3
87.04498	0.9
107.66993	0.4
117.97313	1.6
118.98071	0.8
120.99674	3.2
124.17943	0.4
135.98367	3.6
136.99152	24.7
139.05881	0.7
147.01241	1.9
157.06947	1.2
170.97041	0.4
175.07983	10.6
201.09448	0.5
237.03662	0.4
245.08484	4.0
263.09573	32.1
264.09802	1.6
267.66776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.14
Annotation	Val Phe
Peak:m/z	Relative Intensity
54.29291	0.5
57.33401	0.4
59.01377	2.3
61.42697	0.5
61.78397	0.5
70.47941	0.4
71.01386	2.0
71.02515	0.7
71.15817	0.4
71.60439	0.8
72.00914	1.3
75.95828	0.4
79.95743	5.5
80.96529	0.9
81.95340	1.5
83.25595	0.4
84.47314	0.6
87.00884	1.0
87.04531	0.5
87.99890	1.2
89.00669	1.1
89.02470	0.6
91.05551	3.7
98.06118	0.7
99.04514	0.9
101.02406	0.5
115.00378	0.9
115.08780	82.3
116.09126	2.1
120.99680	0.5
130.03323	2.1
131.07088	0.7
133.01428	0.9
135.04527	0.8
145.06151	0.5
147.04530	21.4
148.04976	0.8
152.96832	0.9
160.01547	0.5
164.07178	12.2
175.04025	0.8
175.07933	0.9
187.86647	0.5
189.01457	0.4
206.02313	0.7
219.15059	5.1
221.04544	0.7
253.61870	0.5
263.14011	100.0
264.14340	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	263.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26995	0.7
57.03446	0.9
58.02977	12.6
59.01377	3.3
60.74256	0.6
61.98837	1.1
63.96243	1.7
67.68685	0.7
68.99833	0.7
70.06292	0.7
70.65652	1.9
71.01382	6.6
72.99310	1.5
74.02473	16.2
78.95899	2.0
79.95741	2.4
83.01374	0.7
85.02956	2.4
87.00880	1.3
87.04512	3.1
87.05630	1.3
94.21140	0.7
95.93447	1.4
96.96026	0.7
97.04069	2.1
97.06565	0.7
99.00870	0.9
99.04601	0.9
99.05643	19.3
101.02457	2.3
105.00170	1.6
105.01959	0.9
113.02444	1.9
113.03597	1.0
115.04034	1.5
119.01728	15.4
119.41109	0.7
120.99560	0.6
125.02447	1.1
131.04573	3.4
136.97385	2.0
138.31113	0.7
143.04628	100.0
144.04994	1.2
147.06798	1.8
148.04416	1.8
160.00719	0.8
174.99158	0.6
175.02470	0.9
175.04207	1.0
177.03392	37.2
178.03728	1.5
197.44339	0.8
198.88464	1.6
202.98665	1.1
217.07130	0.9
237.17973	0.7
245.06123	1.6
263.02618	1.2
263.03415	0.7
263.07123	15.6
264.03214	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	260.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98657	0.5
54.03660	0.5
59.01384	0.7
61.98844	0.9
64.95242	0.7
66.19778	0.5
70.81776	1.3
71.39511	0.6
73.01170	1.0
74.02498	0.7
75.02736	2.0
79.93968	5.7
79.95738	100.0
80.96505	4.0
81.95309	0.6
82.03057	0.5
87.00882	0.9
100.42126	0.5
101.00668	3.2
104.98384	7.7
112.93736	1.7
115.92090	0.7
127.05180	0.6
143.90150	45.2
144.90941	4.6
145.89780	0.9
152.96887	2.0
172.05415	0.5
181.80301	0.5
197.01346	1.3
197.90196	1.1
211.13361	1.3
214.92964	0.6
227.06761	0.6
242.89546	0.8
260.94955	0.8
260.97531	13.8
261.00375	0.8
261.11304	2.6
261.19379	0.6
261.22189	3.8
261.97858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
53.89343	0.8
63.74267	0.5
66.06683	0.6
66.07037	0.6
69.57050	4.6
72.99313	14.9
73.01199	1.0
74.02469	0.7
75.00863	1.7
79.95734	10.7
80.96517	2.1
81.03461	2.0
87.00881	1.7
89.30888	0.6
90.55992	0.6
93.03461	24.2
96.96016	2.3
107.05048	2.3
109.04105	0.6
119.05031	46.7
120.05358	1.6
126.04364	1.0
134.03773	1.1
135.04521	28.1
136.04861	0.9
152.96860	2.2
163.04007	33.4
164.04337	1.4
181.05063	86.3
182.05450	3.4
196.62926	0.6
199.00684	17.1
200.01080	0.9
215.00201	7.5
228.93138	0.6
261.00720	100.0
261.22183	1.8
262.01019	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	259.0226
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
50.20811	0.2
53.68221	0.3
57.02048	0.3
70.86282	0.7
71.01378	0.7
74.03500	0.3
78.95905	96.4
79.30854	0.3
94.52210	0.2
96.96964	100.0
101.02499	0.4
106.75307	0.3
120.49401	0.3
133.79628	0.2
135.37227	0.3
136.06532	0.3
138.98038	5.6
150.98042	0.3
168.99091	2.4
177.28841	0.3
178.96040	0.7
194.57312	0.3
196.92703	0.3
198.90536	3.4
198.92218	0.5
199.00143	2.5
214.93700	1.5
216.90607	5.6
223.00241	0.4
234.91711	0.5
240.91559	2.8
241.01187	1.4
258.92572	4.1
259.02243	13.7
260.02600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1298
Annotation	Glu Leu
Peak:m/z	Relative Intensity
50.48467	0.6
51.75707	0.6
59.01370	0.7
68.88488	0.6
71.01372	1.5
71.31445	1.0
73.01172	1.4
78.95901	5.9
79.95736	2.7
80.96522	2.2
82.02551	0.9
82.02990	5.7
82.06623	1.3
84.04555	2.4
84.08197	0.7
85.00468	0.6
88.04053	1.1
91.02247	1.1
96.96957	6.1
100.04048	2.6
101.07198	2.1
102.05670	0.7
112.04054	0.7
114.22270	0.6
116.16676	0.7
126.09260	0.6
127.05154	2.2
128.03546	9.3
129.10385	0.6
130.08739	100.0
131.09065	2.1
140.07217	0.8
141.10297	3.6
144.08847	0.6
146.08200	0.9
152.96873	2.1
154.12354	1.7
169.09836	0.7
169.13509	0.8
171.15034	9.5
180.10333	2.4
195.01517	0.7
197.12947	21.3
198.13359	0.9
215.14011	2.4
219.24120	0.6
241.11920	44.1
242.12242	1.8
258.97388	0.6
259.02148	0.9
259.12961	26.5
260.13278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0221
Annotation	6-H2PO3Manalpha
Peak:m/z	Relative Intensity
63.96235	1.8
65.14008	0.8
65.81751	0.7
68.45098	0.7
70.93038	0.7
71.01369	3.6
71.59919	1.4
72.00941	0.8
78.95908	86.7
78.98574	1.6
79.95733	3.2
80.96510	3.6
82.02943	0.8
85.02925	0.8
87.00871	1.4
89.02417	1.0
93.03443	0.8
96.96964	100.0
99.00892	1.9
100.25249	0.8
102.05616	1.5
107.05005	1.1
111.00877	2.3
112.98789	4.9
115.00395	1.2
119.04999	2.7
124.00359	1.3
126.32204	0.8
126.90366	1.7
128.03517	3.6
129.01968	0.9
129.10300	1.5
130.08739	10.2
133.01410	1.5
135.04503	2.9
138.98024	5.9
142.96594	2.3
160.97705	1.4
168.99055	2.5
171.15009	1.1
173.00926	1.4
180.06648	2.6
187.00790	1.0
197.12920	1.1
198.95630	1.1
199.00256	3.7
215.13998	1.5
216.96606	2.9
241.01093	2.1
241.12012	4.0
258.99432	1.9
259.02188	19.3
259.12802	6.2
260.02325	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	258.9596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77848	0.3
64.95248	1.8
70.92879	0.9
73.01167	4.9
79.93968	6.7
79.95739	100.0
80.96517	3.6
104.98387	6.6
111.92976	0.6
112.93741	3.9
118.64561	0.3
143.90155	43.0
144.90977	4.0
150.99525	0.3
152.05350	0.6
152.96886	0.6
184.94096	0.3
194.99730	1.1
202.91864	0.3
215.11079	0.8
215.20918	0.3
258.95953	10.9
259.10022	1.0
259.96149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18024	0.4
59.01367	0.6
60.49237	0.5
63.94456	4.9
63.96226	0.7
64.95248	15.1
64.95596	0.8
70.99619	0.7
73.01180	1.8
78.95920	1.7
79.93950	2.3
79.95744	100.0
80.94743	2.6
80.96521	6.1
82.42519	0.4
83.31102	0.4
89.00664	0.9
90.17165	0.5
95.93462	2.0
96.96018	1.1
96.96964	2.4
98.20679	0.9
101.00665	1.3
101.11860	0.4
106.98090	2.2
112.93743	8.4
112.94475	0.7
122.71926	0.5
127.02244	1.0
128.03572	1.6
130.08762	2.1
143.01700	1.1
143.90157	6.6
144.90942	3.8
145.03278	4.1
147.04875	0.7
152.96867	7.0
153.99445	1.0
167.54001	0.5
177.00478	0.6
179.02071	10.4
179.03558	0.9
195.01532	3.7
215.08348	0.6
228.96326	1.0
241.11948	0.5
243.98714	0.6
258.97726	33.9
259.12991	0.5
259.97977	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	257.0819
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
51.89254	0.4
54.23829	0.4
65.03967	1.6
65.42586	0.3
68.99847	0.4
76.99986	0.4
79.01870	0.4
81.03461	0.6
83.05048	1.1
93.03456	10.7
95.05016	0.7
106.03651	0.3
106.04248	23.4
107.05036	43.5
108.02164	8.4
108.05369	1.5
109.02973	1.6
111.04543	0.8
118.95935	0.5
119.05045	0.6
121.02956	10.5
138.03197	2.8
171.08154	1.4
184.76025	0.4
211.07574	0.6
213.09209	67.6
214.09561	3.7
256.23648	1.0
257.08179	100.0
257.23840	0.8
258.08505	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	257.2122
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
59.01360	1.0
61.98801	0.4
70.13201	2.0
72.99287	0.5
83.05043	0.6
99.92548	1.6
112.75405	0.5
115.92072	0.9
116.92855	5.7
117.92852	0.7
158.93837	0.7
183.17503	1.2
184.87688	0.5
193.26410	0.5
203.97198	1.0
207.17641	0.7
209.19153	4.3
211.20668	67.3
212.20999	3.3
217.53799	0.5
219.84566	2.7
220.84636	1.0
221.84241	10.1
239.20201	1.9
257.21234	100.0
257.23718	5.2
257.94086	1.4
258.21567	5.5
272.35812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1457
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
58.02969	6.6
63.60446	0.6
63.96226	1.7
65.28392	0.6
70.02975	7.6
70.97902	0.6
71.15092	1.7
73.01181	3.8
73.04071	1.1
74.02472	6.2
78.95910	9.7
79.71754	0.7
79.95737	40.8
80.96519	11.1
82.02979	2.1
84.04520	0.6
85.23191	0.6
87.05637	2.1
88.04049	7.0
89.00678	2.4
91.02227	2.4
95.01398	0.6
96.96959	9.0
97.04057	1.0
100.31372	0.6
101.07204	1.4
106.98080	0.7
109.63741	0.7
112.93752	4.6
114.09235	1.7
124.00739	7.5
127.05138	3.0
128.03532	2.6
129.10327	0.8
130.08737	81.4
131.09074	1.4
138.98041	0.7
139.08801	1.0
141.10309	4.0
143.11900	11.4
153.10294	1.5
154.12381	1.0
155.11911	2.5
155.98804	0.8
168.96391	1.0
169.09869	1.9
171.15073	0.8
181.70030	0.7
183.11383	1.7
189.60692	0.6
195.01535	1.9
196.14525	9.3
197.12936	12.9
197.14711	0.4
214.15623	5.9
214.19112	0.8
241.11926	6.6
258.04382	7.4
258.14569	100.0
258.97940	1.0
259.02286	1.4
259.12445	4.0
259.15402	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	253.2173
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
51.68569	0.5
55.12411	0.4
57.27128	0.5
57.27430	0.4
59.01386	3.0
67.26326	0.4
68.47780	0.5
69.13218	0.5
70.45658	1.7
74.13072	0.4
81.13572	0.5
83.05029	1.7
87.83858	0.4
113.10864	0.5
163.39265	0.4
235.20618	1.2
253.21735	100.0
254.22076	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	253.2173
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
50.57005	8.3
56.79832	9.0
59.01379	33.4
69.90511	49.0
98.19931	10.8
104.76586	8.0
164.55600	9.2
176.13260	8.6
211.42793	8.8
253.21790	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	256.2283
Annotation	Andrachamine
Peak:m/z	Relative Intensity
59.01369	0.4
61.98806	0.5
69.53666	2.3
77.85264	0.3
92.68555	0.3
100.56549	0.3
111.82394	0.3
116.92810	0.5
127.76036	0.3
152.71227	0.3
180.20201	0.3
183.16071	0.3
219.84538	3.9
231.56587	0.3
256.22855	100.0
257.23175	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	256.9806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71490	0.9
63.94469	4.6
63.96244	74.5
64.87911	1.0
64.95249	12.5
66.61097	1.1
67.06812	1.0
69.96484	2.0
69.96902	3.8
78.96809	9.3
79.93970	1.1
89.96043	1.2
91.01011	1.0
91.05653	1.0
94.36532	1.0
95.91664	1.7
95.93458	2.8
96.94238	3.9
98.19841	1.0
110.94038	22.4
111.02747	4.8
131.75499	1.0
145.01515	56.9
145.03293	100.0
146.01740	1.3
146.03551	1.5
165.00162	9.9
179.56396	1.0
208.97719	19.1
221.84203	1.3
256.23676	22.4
256.98013	23.3
257.08252	1.3
257.23880	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	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83788	1.1
55.01879	8.5
57.03447	6.8
57.68379	1.1
58.00582	3.9
59.01381	66.2
60.01705	1.6
61.98834	2.2
68.99814	1.4
69.03438	1.2
69.67802	7.1
71.01385	94.9
71.60927	1.1
72.00914	1.8
72.01718	1.9
72.99308	4.8
73.02949	34.9
73.04077	1.4
74.02473	1.2
75.00871	3.4
78.95898	1.6
81.52798	1.2
83.01392	17.7
85.02953	46.7
85.04064	3.5
86.03281	1.8
87.00880	5.5
87.04490	1.6
87.41831	1.1
89.02448	18.7
95.01397	7.9
97.02933	2.9
97.04071	1.4
98.20618	1.4
99.00874	12.3
100.97122	1.1
101.02445	100.0
101.92814	1.4
102.02784	8.1
104.03527	1.1
113.02450	40.4
119.03474	7.3
135.67599	1.2
136.97346	1.7
143.03473	2.2
147.04488	1.4
149.02740	1.9
152.77522	1.2
158.62485	1.2
159.03017	10.9
161.04559	34.1
164.07182	5.5
180.94266	1.7
221.09273	8.8
251.05510	2.0
251.07616	2.4
251.11160	13.9
251.14824	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	253.108
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
55.01898	2.4
56.01947	1.9
56.86154	2.3
56.95644	2.3
57.03447	2.9
59.01381	100.0
61.98835	4.3
62.84837	1.9
69.03456	15.3
69.51599	5.9
69.52009	9.2
71.01380	12.5
73.01163	3.4
73.02928	2.6
73.25070	2.1
75.00818	2.1
83.05052	2.5
85.02954	7.2
87.00887	2.5
89.02448	5.2
95.05057	6.2
97.02948	17.8
101.02455	10.7
105.07120	3.6
107.05024	4.2
108.05820	8.0
109.02950	4.0
109.06577	10.6
111.04490	5.0
111.08115	2.2
113.02452	4.6
113.06091	11.2
113.82787	2.1
118.29587	2.8
121.06571	7.3
122.03716	21.8
122.48880	2.0
123.04536	3.1
123.08186	14.1
124.05264	2.6
125.06085	9.9
128.04305	2.0
133.06631	2.4
136.05283	6.4
137.06088	10.7
138.06871	55.9
139.07677	39.0
147.08122	10.1
149.06053	3.2
149.09723	19.6
151.07645	75.1
152.04771	8.8
152.08435	24.8
153.09210	92.5
154.09500	2.8
157.06538	6.7
161.02679	2.8
161.04523	7.7
163.11160	2.0
167.07095	3.2
171.98775	2.5
173.09680	10.1
175.07649	8.2
176.08423	3.2
191.10771	83.6
192.11057	4.2
193.07138	11.4
209.11836	3.6
245.56210	2.2
253.10977	27.7
253.21776	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	249.1495
Annotation	Sch 601254
Peak:m/z	Relative Intensity
51.30257	2.6
59.01381	13.1
59.59327	2.6
61.98826	8.7
63.96222	3.6
69.03455	38.4
70.52688	5.5
70.99596	18.9
71.01370	4.0
71.05024	3.6
73.01187	3.0
79.21544	2.6
79.95766	3.3
81.95653	2.7
89.00669	33.0
95.05021	5.9
103.47240	2.5
104.98402	3.1
115.02214	3.1
117.03483	3.1
127.02250	12.0
131.01639	3.3
157.86275	2.8
158.99493	13.2
161.02475	4.4
167.10771	3.7
176.85832	5.4
187.15047	2.7
193.12326	8.3
205.12347	13.3
205.15961	16.4
221.15463	20.0
231.13885	29.6
248.97304	3.2
249.04169	7.7
249.07948	3.8
249.12184	5.1
249.14961	100.0
250.14478	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1038
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
59.01379	1.7
66.77535	0.6
70.56846	1.8
71.02513	2.2
72.00929	2.0
73.04073	100.0
74.04408	0.9
79.95724	0.6
85.02965	1.7
91.05541	1.1
93.03472	0.8
103.05141	4.3
112.22032	0.7
120.99651	1.5
121.02948	1.0
137.23898	0.7
141.77176	0.7
143.05003	0.7
145.06641	6.3
147.04526	16.5
163.04347	1.8
164.07170	27.4
165.07497	1.2
177.10330	1.5
189.05534	4.2
191.05460	0.7
194.45419	0.6
221.09320	54.8
222.09656	3.2
251.05954	2.1
251.10385	49.2
251.14735	1.6
252.10756	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	249.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20959	0.6
51.56318	0.5
55.01882	2.6
56.98020	1.1
59.01374	2.4
60.79105	0.5
60.97533	0.6
61.98819	0.8
63.94470	0.7
63.96239	4.7
67.01889	0.6
69.03461	5.5
70.99606	49.9
71.01385	1.9
71.99940	0.5
72.97535	8.0
72.99333	0.8
73.01163	2.9
73.02930	0.9
74.02442	0.6
74.99088	5.0
75.00893	0.6
76.97015	0.8
79.01882	0.7
79.02927	0.6
79.93968	0.7
80.96516	0.6
85.01185	2.7
85.79881	0.6
86.99097	2.2
87.00871	1.4
87.04473	0.7
87.99866	1.7
89.00672	24.6
90.67881	0.6
90.98601	0.7
94.08195	0.5
95.01370	1.4
97.01183	2.0
97.02956	11.7
97.92957	0.5
98.99104	2.3
99.00864	0.7
99.02734	1.5
101.00665	3.8
103.02238	6.6
104.98378	2.2
105.00160	1.1
110.99082	1.0
111.99902	0.5
113.00674	4.6
113.02461	0.7
115.00372	3.3
115.02256	2.2
115.99376	9.4
116.99689	0.6
117.01940	1.2
123.00887	4.9
126.98599	1.3
127.02238	9.9
127.04005	0.7
128.03568	1.0
129.00175	11.6
130.99995	3.9
131.01727	58.9
132.02057	1.2
140.01196	0.8
142.98088	27.7
143.97073	1.6
143.98814	0.7
145.01428	3.1
154.98080	2.1
155.03534	0.8
156.99644	35.4
157.98695	0.8
157.99966	0.9
158.99438	7.9
159.01208	14.9
160.01494	0.9
161.02762	3.5
171.01218	2.1
177.04036	0.7
189.02284	1.3
205.12424	0.6
205.15958	0.7
217.01802	1.5
220.95830	0.6
234.01723	0.7
249.04376	100.0
249.14911	2.2
250.04680	4.3
250.14447	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28777	1.1
56.98040	1.6
59.01368	2.4
61.98829	3.5
63.94469	2.3
63.96246	10.7
64.95235	1.3
69.03451	1.6
69.40632	3.5
69.41048	5.7
70.99611	56.7
71.01363	1.3
73.01174	5.0
73.02940	1.7
76.97018	3.8
79.93956	3.5
80.96520	1.2
86.99101	2.3
87.00887	1.6
89.00674	100.0
97.01188	6.3
97.02957	2.6
99.02753	5.5
101.72892	1.2
104.98386	10.7
112.98876	1.5
113.00640	1.1
114.99260	1.1
115.02257	8.7
124.04323	1.3
127.02239	34.3
130.99976	11.7
131.01703	7.2
140.98369	2.4
142.98065	3.9
142.99948	1.8
143.97104	8.6
156.99655	5.8
157.98660	2.8
158.99437	34.9
159.01346	1.6
160.00175	3.6
161.02386	1.5
189.95810	1.3
248.97118	1.7
249.00848	4.8
249.04414	11.1
249.08437	1.1
249.11159	2.4
249.14899	6.7
249.18605	2.8
250.14430	10.3
260.18961	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	249.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
56.98014	1.8
58.24676	1.2
59.01380	3.1
61.98820	2.0
63.94458	2.5
63.96236	10.7
64.83190	1.6
69.03466	1.8
69.36785	12.7
70.99605	49.8
71.01392	1.4
73.01170	5.5
74.91687	1.2
76.97011	2.8
79.56192	1.2
79.93958	4.0
86.99131	1.4
89.00668	100.0
94.93129	1.4
97.01191	7.7
98.19897	2.7
99.02728	4.7
104.98396	8.2
111.02699	1.9
115.02253	8.5
117.03466	2.0
123.00949	1.3
127.02225	31.6
130.99956	11.3
131.01720	5.4
140.98296	2.7
141.50923	1.2
142.97997	1.5
142.99892	2.1
143.97108	8.5
144.00694	1.3
156.99600	4.0
157.98668	1.4
158.99434	36.1
159.00838	1.8
160.00154	4.3
161.02454	2.0
177.02052	2.5
181.12372	4.3
191.07182	1.4
203.10507	2.8
205.12167	1.9
205.16006	2.2
223.13260	1.8
233.07919	2.3
235.09549	1.7
249.00946	7.3
249.04219	11.8
249.11084	48.6
249.14931	10.9
250.14401	12.2
267.12021	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	249.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73262	1.7
59.01371	2.5
61.98823	4.1
63.96235	11.8
68.03831	1.5
70.92816	3.0
70.99225	3.4
70.99607	45.5
73.01171	5.4
73.02947	2.8
77.39999	1.6
79.93970	5.9
79.95743	1.7
89.00669	100.0
90.41206	1.7
96.88804	1.8
97.01173	7.0
99.02760	4.4
104.98426	9.8
109.01260	2.2
115.02242	9.5
117.03468	2.2
127.02236	32.2
130.99969	11.3
140.98340	2.6
143.97107	8.7
153.37015	1.8
157.98677	1.6
158.99428	36.1
160.00185	2.2
171.76631	1.5
201.26720	1.7
249.00801	8.9
249.11215	3.8
249.15057	7.7
250.14401	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	249.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.3
61.16314	1.8
61.98832	5.9
63.94464	2.5
63.96251	11.0
69.16598	2.3
70.99609	47.9
71.16216	2.4
71.16545	4.1
73.01186	5.2
76.97039	3.9
79.93958	2.6
79.95734	5.4
86.99139	2.0
89.00673	100.0
92.05824	1.9
95.62031	2.0
96.96034	3.3
97.01163	6.3
99.02756	5.8
104.98397	10.5
115.02235	9.2
117.03481	5.7
120.20099	2.7
127.02242	32.4
130.99948	11.8
139.67120	2.1
142.99936	2.5
143.97137	5.9
158.99454	36.8
160.00188	2.0
161.02435	2.3
184.50378	4.8
184.99994	2.8
189.60237	2.0
191.09433	3.2
192.07481	2.0
205.01387	3.8
205.15869	2.8
208.30510	2.3
248.16588	32.9
248.58292	10.3
248.97215	7.3
249.00742	6.9
249.07809	10.3
249.11353	5.4
249.14394	10.7
249.16989	29.3
250.14450	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	249.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94469	4.5
63.96254	11.6
69.50975	12.5
70.99609	48.7
73.01157	5.1
74.07628	1.9
78.96823	5.1
79.93980	4.2
82.15264	1.6
85.91285	1.4
89.00670	100.0
90.01049	1.9
95.93459	5.5
97.01168	7.5
99.02726	4.4
104.98363	11.7
109.01151	1.9
111.02735	3.4
112.98840	2.2
115.02230	11.7
116.76313	1.7
127.01350	2.9
127.02244	38.8
128.98425	1.7
130.99945	14.9
140.98436	2.4
142.99927	1.9
143.97081	9.4
149.78276	1.7
157.98619	3.5
158.99434	58.9
160.00092	3.8
193.71640	1.7
229.35286	1.6
235.65137	1.7
249.00742	8.1
249.15082	2.2
250.14452	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	249.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98031	2.3
60.97551	1.3
63.94468	12.7
63.96237	12.3
69.34755	1.2
69.35091	11.3
70.99608	50.9
73.01174	4.7
76.97033	2.4
78.96817	29.7
79.93942	2.3
89.00668	100.0
90.01025	1.4
95.91668	2.2
97.01151	7.0
99.02753	4.2
104.98390	10.5
111.78180	1.1
115.02222	7.4
120.75168	1.1
127.02241	32.1
130.99963	10.3
134.09772	1.3
134.48132	1.2
140.98418	2.5
142.91222	5.2
142.99953	1.5
143.97083	7.1
144.02968	1.1
156.97821	1.8
157.98589	2.7
158.99442	34.5
160.00240	2.8
228.49428	1.2
249.00784	5.3
249.14999	3.2
250.14485	2.7
258.68918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
51.54290	0.2
55.62318	0.1
61.98835	0.2
65.96767	0.2
68.10583	0.1
79.95749	0.2
153.38196	0.2
155.27872	0.2
184.00165	1.9
186.95528	0.3
205.15788	0.4
220.17087	0.4
231.13914	0.6
247.17024	100.0
248.08028	1.6
248.17361	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	249.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97533	1.6
61.98825	1.4
63.84421	1.2
63.94471	1.7
63.96244	14.1
65.56810	1.3
67.62935	1.4
70.99609	49.1
71.01422	1.5
71.10677	3.1
71.11029	1.6
73.01170	6.3
74.83232	1.4
76.97028	2.3
79.93964	3.6
89.00675	100.0
89.47092	1.6
97.01172	7.6
99.02747	6.3
104.98381	11.3
111.02760	2.3
115.02248	11.6
127.02242	40.4
130.99959	13.6
139.97620	1.7
140.98366	3.4
143.97118	8.8
157.98651	1.5
158.99449	47.0
160.00116	4.0
197.71135	1.4
249.00948	8.1
249.14816	1.9
250.14482	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	249.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87089	1.5
55.65263	1.3
63.96228	10.0
67.14459	1.3
69.54951	9.9
70.99606	48.6
73.01173	6.3
74.02507	1.9
75.51537	1.3
76.97035	2.6
78.96825	1.6
79.93965	3.2
86.99115	2.1
87.94450	1.4
89.00672	100.0
96.63430	1.4
97.01179	6.1
99.02758	4.6
104.45549	1.3
104.98388	11.6
111.02779	1.6
115.02262	9.6
127.02236	32.5
128.02644	1.3
130.99933	11.9
140.98381	1.9
142.99855	1.9
143.97116	7.7
147.89937	1.4
157.98619	1.8
158.99438	33.3
160.00191	1.7
171.83672	1.4
181.06241	1.8
249.00783	6.4
249.15024	2.0
250.14305	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.1
59.01375	5.2
68.99791	2.0
69.26702	23.7
69.63136	2.1
69.70155	2.0
71.01389	19.0
72.99249	4.1
73.01171	3.6
73.02932	3.7
79.95745	12.2
80.02326	2.3
83.01375	7.6
84.99221	1.9
85.02965	3.8
87.00880	4.1
93.26590	2.2
94.65474	2.2
98.20564	5.4
99.00885	27.9
109.02930	2.8
109.12967	1.9
111.00880	10.0
112.98807	100.0
113.99177	2.5
115.00352	7.1
127.00252	1.9
129.00150	6.1
129.01965	2.3
142.99861	32.5
145.01392	4.4
160.81714	2.0
173.00917	30.7
174.01677	29.2
175.02425	2.1
185.94830	3.6
212.94084	2.2
229.02867	2.2
247.00789	2.7
248.41991	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	247.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
59.01381	5.3
62.65323	1.6
69.62170	11.2
71.01388	17.0
72.99276	1.9
73.01176	2.7
73.02959	2.5
83.01396	7.0
84.76381	1.6
85.01129	2.0
85.02969	3.3
99.00883	26.4
105.78889	1.7
111.00896	8.3
112.98811	100.0
115.00376	5.1
124.98803	1.9
127.00401	1.6
128.98164	1.8
129.00195	3.3
142.99864	36.7
145.01427	4.9
168.99655	2.4
173.00934	25.5
174.01682	24.2
188.53482	1.7
205.20270	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	247.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.3
59.01373	6.1
62.37901	1.8
63.15228	1.7
64.95264	2.2
67.93728	1.8
68.86805	1.6
68.99814	2.8
69.85368	5.2
69.85783	4.7
71.01379	17.1
72.99229	2.5
73.01151	2.7
73.02941	2.2
77.10207	1.9
77.82213	1.9
83.01389	5.5
84.99207	2.0
85.02951	3.4
87.00864	4.2
98.19869	3.4
99.00888	28.7
101.00659	2.7
109.02957	3.4
111.00885	8.8
112.98813	100.0
115.00370	4.9
122.47198	1.6
124.98847	3.7
129.00192	4.5
142.98810	3.5
142.99867	38.4
145.01422	3.7
148.62346	1.7
168.99669	2.9
169.83163	2.1
173.00900	33.9
174.01704	27.1
178.80504	2.0
247.00882	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.6
57.03447	3.8
59.01376	6.2
71.01387	15.5
73.01160	3.5
73.02957	2.9
83.01390	6.8
85.02953	2.7
87.00894	4.1
92.88608	2.2
98.20619	9.3
99.00891	29.2
111.00892	8.7
112.98820	100.0
115.00390	5.9
129.00140	6.5
142.99860	34.6
145.01428	4.0
158.99406	2.6
173.00914	32.1
174.01706	27.1
230.38670	3.7
232.19824	2.2
246.98848	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98029	8.6
57.03430	6.6
58.99606	66.2
59.01350	5.1
63.94452	9.5
66.12957	2.4
68.99823	2.2
71.01385	19.1
71.61215	3.4
72.99264	2.9
73.01147	2.5
73.02932	2.4
74.99091	13.2
75.84595	2.1
78.96817	51.2
79.95746	3.5
83.01397	5.7
85.02935	3.5
87.00857	11.3
96.95995	5.3
99.00868	30.1
101.00658	3.3
109.02968	3.2
111.00893	13.7
112.98814	100.0
113.99185	3.1
115.00381	14.6
115.48065	2.4
115.78150	2.3
129.00150	5.2
129.01854	3.0
142.99863	37.9
145.01396	6.3
173.00903	30.9
174.01707	26.0
175.02431	8.3
177.09502	9.5
181.04080	2.4
246.98811	3.5
247.06085	3.3
247.09961	7.2
247.16998	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	247.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
55.74879	2.5
57.03441	3.1
59.01381	5.0
61.98851	3.8
66.16223	2.3
69.51152	15.4
71.01384	15.5
72.99255	2.7
75.16793	2.2
83.01398	6.5
84.99249	3.1
85.01170	2.3
85.02950	4.4
87.00907	2.4
87.14090	2.1
98.19822	4.2
99.00894	29.3
111.00237	2.4
111.00874	13.8
112.98823	100.0
115.00362	7.2
123.10399	2.4
124.98830	2.5
127.00423	2.6
129.00154	4.2
141.33035	2.6
142.99863	33.7
145.01445	3.6
168.99654	3.6
173.00923	29.2
174.01688	25.3
247.00798	3.0
247.13513	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	247.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
57.15903	1.4
59.01375	5.0
62.34576	1.5
68.99808	2.1
69.30302	2.6
69.30704	12.4
71.01386	15.3
72.99303	3.0
73.01179	3.5
79.95746	7.8
81.35556	1.6
83.01381	7.1
85.01177	1.8
85.02961	4.4
87.00860	2.5
99.00884	25.0
111.00867	7.5
112.98817	100.0
113.99091	2.2
115.00362	5.2
124.98807	2.8
129.00139	4.7
129.83974	1.6
142.99860	30.3
145.01395	2.9
173.00916	28.0
174.01691	21.3
175.02431	1.5
185.94896	2.5
192.00891	1.5
219.83287	1.7
252.30310	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	247.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51318	1.8
57.03439	3.4
59.01376	6.6
68.99813	2.7
70.31345	2.0
70.61111	2.3
71.01383	17.4
71.38334	3.8
72.11102	2.0
73.01151	1.9
73.02969	4.2
83.01390	5.7
84.99216	2.2
85.02940	2.2
87.00863	2.7
94.59013	1.8
99.00875	24.6
101.00687	4.3
107.46694	1.7
109.02930	3.5
111.00879	7.3
112.98813	100.0
115.00391	7.7
124.98827	2.3
129.00146	3.3
134.33470	1.9
142.99854	34.2
145.01419	4.2
163.81311	1.8
166.45103	1.9
173.00914	30.0
174.01692	25.7
175.02495	5.4
213.86812	2.1
232.23901	1.8
247.13435	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	245.0432
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
52.16978	0.7
58.26783	0.6
61.41122	0.6
64.02504	0.6
68.44690	0.8
70.44759	1.0
70.45135	2.3
71.01411	0.9
72.99311	27.1
76.53011	0.7
78.95904	100.0
87.00874	1.8
96.96958	7.3
114.93579	0.9
117.00415	1.4
118.96658	1.7
128.95964	0.9
130.96632	2.7
137.06126	0.7
146.92572	1.6
148.97667	2.2
150.98007	1.0
152.95967	16.5
152.99588	73.2
153.99945	1.4
170.89334	1.4
170.97017	20.0
171.00641	30.7
174.99272	1.8
184.97722	0.7
196.99411	1.1
202.95064	6.8
202.98590	0.7
244.90318	2.9
244.96136	1.6
245.04303	74.0
246.04706	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	8.3
56.98043	9.9
57.03447	4.6
59.01378	8.6
67.01890	3.4
68.99826	2.9
69.03455	4.6
70.99608	75.3
71.01388	27.1
72.99294	2.3
73.01183	2.3
73.02950	12.7
78.95890	2.9
79.01900	3.0
79.95741	56.6
80.96513	11.1
81.03442	5.5
82.99615	62.6
83.01387	9.2
83.04996	2.3
85.01167	2.0
85.02954	4.4
87.00873	4.3
89.00672	26.0
93.03482	3.5
95.01372	1.7
97.01215	2.1
97.02945	2.8
98.99113	9.6
99.00880	29.4
101.00674	6.0
109.01699	3.5
110.99136	3.1
111.00881	18.1
111.04499	2.8
112.98817	76.6
113.00645	9.8
113.99139	2.2
115.00363	5.9
121.02944	4.3
123.00870	6.3
123.04556	2.4
125.02433	10.9
126.98598	79.6
127.99397	4.3
129.00174	7.7
129.01949	3.0
130.08743	8.5
131.09058	1.8
131.62997	1.5
137.02461	1.9
141.00191	11.1
142.98132	2.6
142.99869	16.0
145.01434	4.0
151.00362	4.9
152.96899	9.4
154.96417	1.9
154.98164	4.1
156.01231	2.1
156.99654	15.8
173.00928	21.4
174.01698	7.8
184.99080	2.4
193.01410	8.9
201.02296	9.8
210.07797	2.3
217.01741	16.7
244.17334	2.4
245.01256	100.0
245.14044	1.6
245.17528	1.7
246.01616	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	245.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46362	2.9
54.57765	2.8
55.01861	10.7
56.98036	4.6
57.03439	4.3
59.01375	9.4
61.98830	23.6
65.03973	2.6
65.12402	3.2
67.01881	5.0
69.03462	4.1
70.99609	64.2
71.01376	23.8
71.60855	5.2
73.01145	3.5
73.02944	10.4
79.01877	3.2
81.03463	2.9
82.99615	61.1
83.01385	11.3
85.02955	5.4
87.00866	5.6
89.00681	14.8
95.93440	12.9
98.99119	5.5
99.00877	27.7
99.92570	5.0
101.00686	5.6
106.99957	5.4
110.99139	3.4
111.00892	15.9
111.04466	2.7
112.98816	77.1
113.00665	8.3
115.00385	4.1
120.11256	2.8
123.00897	5.1
125.02431	9.4
126.98608	72.3
129.00150	8.6
141.00183	9.3
142.99843	16.3
151.00354	5.2
154.98051	4.9
156.99664	15.1
173.00940	17.2
174.01740	5.5
174.99069	3.3
184.99150	4.8
193.01398	10.3
201.02237	7.9
217.01703	13.4
245.01233	100.0
246.01541	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	245.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88789	2.3
52.67719	2.1
55.01880	12.7
56.98038	10.2
57.03446	2.6
59.01388	5.1
67.01885	2.8
69.03482	2.3
69.46540	16.6
70.99229	4.2
70.99607	67.5
71.01379	19.4
73.01154	4.0
73.02954	10.3
79.01883	4.2
81.03450	3.9
82.99614	64.0
83.01397	7.4
85.01188	3.3
85.02972	4.6
87.00873	2.2
89.00676	18.1
93.03477	2.8
95.01408	2.4
97.48127	2.5
98.99134	5.8
99.00874	26.3
101.00668	7.6
101.72749	2.2
104.98436	2.5
109.02980	2.6
111.00874	14.3
112.32810	2.2
112.98034	4.6
112.98811	64.6
113.00679	8.2
113.99136	2.3
115.00384	4.4
121.02909	3.0
123.00873	6.1
123.04494	3.4
125.02458	9.1
126.98599	75.6
127.99411	2.5
129.00146	11.5
129.01949	3.0
137.02513	2.5
141.00143	10.0
142.99875	13.5
145.01427	3.5
151.00377	6.9
156.99626	17.9
164.97867	2.2
173.00922	23.0
174.01707	5.4
184.99121	2.2
193.01433	8.2
201.02237	9.9
217.01701	13.7
237.40178	2.1
245.01236	100.0
246.01639	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	245.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	11.9
56.98032	8.1
59.01368	10.4
59.89441	2.2
61.98833	2.6
63.18026	2.1
63.34027	2.2
67.01884	3.7
69.03448	4.3
70.18469	11.3
70.99229	4.2
70.99609	68.1
71.01382	23.8
72.97501	2.5
73.01158	7.8
73.02953	10.8
79.01881	2.8
81.03490	3.7
82.99614	55.9
83.01394	27.6
85.01190	4.8
85.02925	6.0
86.99084	2.7
87.00898	3.4
88.70983	2.2
89.00665	21.2
89.02434	5.9
93.03427	2.5
97.01172	2.7
98.99128	8.1
99.00878	29.2
101.00649	10.3
110.99157	2.9
111.00905	16.7
112.98811	72.4
113.00672	9.8
115.00364	3.6
117.00142	7.1
121.02949	3.9
123.00892	7.8
125.02452	10.1
126.98597	77.8
127.99305	2.7
129.00168	10.0
134.72215	2.4
141.00127	12.0
142.99854	18.5
145.01445	3.2
151.00348	6.0
154.98080	5.5
156.99675	16.1
173.00911	21.8
174.01659	6.7
193.01425	6.0
196.22350	2.6
201.02278	11.0
214.67276	2.7
217.01793	14.7
245.01242	100.0
246.01462	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	245.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85448	1.9
55.01864	9.9
56.98029	7.5
57.01383	1.8
57.03426	2.5
59.01366	5.5
64.95234	2.7
67.01889	2.8
69.03445	2.7
70.92096	3.4
70.92440	2.9
70.99604	66.8
71.01382	19.6
71.99946	2.1
73.02946	9.7
75.02727	3.3
81.03458	2.6
81.74867	2.4
82.99611	53.2
83.01366	13.4
85.01183	2.4
85.02959	4.7
86.99054	2.4
87.00872	3.9
89.00650	18.3
95.93452	16.1
98.99107	7.1
99.00883	34.6
101.00662	3.1
101.02399	2.0
106.99973	5.7
110.99096	4.4
111.00898	16.2
112.98816	70.3
113.00690	9.6
113.99163	2.5
115.00310	2.8
121.02913	3.3
123.00877	4.0
123.04549	2.6
125.02470	7.2
126.98595	74.1
127.99382	3.8
129.00151	10.6
129.01961	3.4
141.00175	8.1
142.99864	13.9
145.01294	3.0
151.00352	8.6
154.98087	3.1
156.99638	13.2
170.99190	2.1
173.00885	19.2
174.01593	6.4
181.87302	2.4
193.01450	8.7
201.02327	8.3
217.01741	11.7
244.98323	3.9
245.01225	100.0
246.01443	5.6
268.60406	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.9
56.98045	6.5
57.03453	3.8
59.01377	10.3
64.95253	4.9
68.99837	3.9
69.03466	3.2
70.38148	5.8
70.99610	72.8
71.01386	25.4
71.45790	1.6
73.01192	6.8
73.02590	2.1
73.02930	10.1
78.95915	1.9
79.01903	2.6
79.95741	60.3
80.96537	4.3
81.03487	3.7
82.99615	66.0
83.01376	11.1
85.01205	4.0
85.02969	4.8
86.99116	1.9
87.00886	5.8
89.00668	24.3
89.02460	3.9
93.03411	2.0
97.02923	2.9
98.99142	7.1
99.00871	29.0
99.01402	2.1
101.00694	5.7
109.02895	2.2
110.99133	1.9
111.00894	15.7
112.98811	79.7
113.00645	9.6
115.00359	3.5
117.00175	4.9
117.01946	4.6
121.03015	3.9
123.00917	5.3
123.04531	3.4
125.02461	11.4
126.98600	80.3
127.99410	3.0
129.00175	7.4
129.01944	2.2
137.02411	2.8
141.00163	11.7
142.99861	16.1
143.90192	3.4
144.90918	2.9
144.99646	2.7
145.01393	2.9
151.00395	6.5
154.98178	3.9
156.99669	16.8
173.00906	24.7
174.01682	8.1
184.99121	2.7
193.01384	8.4
201.02225	9.6
203.12938	6.9
217.01704	13.1
244.94547	3.2
245.01340	100.0
246.01851	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	245.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	10.4
56.98018	6.0
57.03456	4.4
58.25695	2.0
59.01373	7.0
60.65108	1.7
61.98816	2.5
67.01887	4.0
68.99806	2.2
69.03454	3.7
70.99606	75.0
71.01385	23.8
71.37652	3.3
73.02943	9.9
79.01897	4.4
81.03459	3.9
82.99612	64.8
83.01382	8.0
84.41341	1.7
84.45972	1.8
85.01173	2.9
85.02956	3.5
86.99097	2.4
87.00877	2.8
89.00661	16.8
92.35796	1.7
93.03427	2.3
95.01433	2.8
98.99120	6.2
99.00880	30.7
101.00655	3.5
110.99083	4.1
111.00871	15.0
112.98814	82.6
113.00674	8.6
115.00345	5.5
123.00895	4.7
123.04485	2.4
125.02435	9.8
126.98594	75.6
127.99316	2.1
129.00151	8.0
129.01988	4.4
137.02448	3.2
141.00174	10.2
142.99858	18.6
145.01430	3.6
151.00362	4.2
154.98090	4.4
156.99638	16.8
173.00909	21.6
174.01662	7.8
184.99171	3.6
193.01437	7.4
199.94267	1.8
201.02316	9.6
217.01762	13.9
230.60860	1.9
245.01234	100.0
245.32196	2.2
246.01566	6.7
254.36922	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73553	1.7
55.00218	1.8
55.01876	11.7
56.98030	7.2
57.03442	4.5
57.31545	2.1
59.01374	8.1
62.84914	1.9
63.52758	1.9
65.23602	1.7
67.01875	2.8
68.99818	3.5
69.03456	4.6
70.99606	77.7
71.01385	24.7
71.17282	3.6
72.99337	1.8
73.01170	2.5
73.02934	10.1
79.01892	3.9
81.03475	4.0
82.99613	66.7
83.01394	7.8
85.01176	3.6
85.02974	3.6
86.99110	3.4
87.00876	3.0
89.00673	19.9
89.02428	2.7
93.03456	3.2
95.01395	3.9
98.99104	7.7
99.00884	34.7
101.00654	6.2
102.86103	1.9
110.99097	3.3
111.00878	16.7
111.04508	2.2
112.98812	83.8
113.00638	10.7
113.99214	2.0
115.00371	4.6
117.00089	2.0
117.01954	2.2
121.02960	3.9
123.00861	4.5
123.04482	2.3
125.02440	10.3
126.98599	88.0
129.00169	6.2
129.01965	2.2
137.02509	2.3
141.00194	11.7
142.99886	19.1
145.01439	4.1
151.00394	5.1
154.98067	4.5
156.99637	17.5
173.00922	19.4
174.01656	7.8
184.99098	3.3
193.01419	7.0
201.02263	9.9
217.01773	17.6
217.26833	1.9
245.01237	100.0
246.01595	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	245.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92950	2.3
55.01861	8.6
56.98025	10.2
57.03430	5.0
58.75377	2.0
59.01371	7.3
62.45896	2.3
67.01880	2.7
68.99788	2.1
69.03457	3.6
70.99606	71.2
71.01386	24.6
71.05025	2.4
72.99323	3.0
73.02944	9.0
78.95889	11.2
79.01903	3.4
79.95742	13.8
80.96500	3.3
82.99615	56.0
83.01392	10.8
85.01168	3.0
85.02957	4.6
89.00671	20.1
95.01352	3.9
98.99105	5.7
99.00861	28.8
101.00674	2.9
110.99094	3.2
111.00871	20.5
112.98808	81.4
113.00641	9.0
115.00365	5.2
117.01881	3.0
121.03016	3.1
123.00910	4.8
123.04531	3.2
125.02436	8.9
126.97688	5.0
126.98600	83.0
127.99262	2.1
129.00165	7.0
129.01852	2.5
141.00179	11.8
142.98126	2.7
142.99892	16.3
145.01447	4.8
147.08870	2.2
151.00377	7.2
152.96852	2.8
152.99588	6.5
154.98061	4.0
156.99689	16.3
166.12840	2.7
173.00887	24.0
174.01717	6.1
177.57246	2.4
184.99120	2.8
193.01454	7.4
201.02274	9.1
207.39960	2.5
217.01743	18.2
227.12964	2.6
245.01248	100.0
245.04259	8.0
245.13953	7.1
246.01683	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	245.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49559	1.8
53.23083	1.8
55.01878	10.2
56.98029	6.6
57.03450	2.8
59.01378	32.3
61.46093	2.0
61.98817	2.9
64.95236	2.4
67.01889	3.3
69.03455	2.9
70.99604	74.4
71.01381	25.4
71.18980	3.0
72.99294	2.4
73.01170	16.0
73.02939	6.8
75.02736	4.8
79.01884	2.1
81.03439	4.2
82.99609	58.7
83.01389	18.3
85.01183	3.6
85.02935	3.9
87.00867	6.2
89.00672	21.3
89.02441	17.8
93.03436	2.1
95.01416	2.0
95.05008	2.9
98.99097	6.4
99.00887	29.2
101.00674	5.7
102.73762	1.8
105.00181	2.8
108.90096	2.4
110.99123	4.5
111.00885	18.1
111.04525	2.8
112.98809	66.4
113.00662	8.4
113.99151	2.6
115.00368	5.8
117.00175	20.3
117.01972	6.5
121.02895	3.2
123.00889	5.4
125.02448	10.6
126.98596	73.8
127.99303	2.7
129.00165	9.4
141.00166	11.0
142.99872	15.2
144.99684	3.1
145.01434	4.3
151.00380	6.2
154.98093	4.7
156.99646	19.9
173.00891	19.0
174.01689	7.9
174.31500	2.2
184.99170	2.5
193.01442	7.7
201.02275	8.4
217.01764	23.5
239.41789	1.9
245.01237	100.0
246.01535	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	245.0124
Annotation	3-(3-sulfooxyphenyl)propanoic Acid
Peak:m/z	Relative Intensity
55.01873	9.7
56.98023	8.6
58.49233	3.1
59.01371	6.1
61.98829	9.7
69.03459	4.6
70.99605	67.9
71.01386	23.0
71.16273	4.6
71.16593	4.1
72.99306	4.3
73.01173	4.5
73.02950	9.2
81.03466	4.5
82.24036	2.3
82.99617	54.7
83.00085	4.9
83.01392	8.1
85.02960	6.3
87.00892	4.5
89.00661	19.6
97.01175	2.9
98.99110	7.7
99.00895	24.6
99.92587	4.4
101.00638	4.0
111.00884	12.6
111.04508	3.2
112.98817	73.2
113.00689	8.6
115.00394	5.5
123.00844	8.5
125.02467	9.8
126.98602	71.9
127.99380	2.9
129.00183	10.1
141.00142	12.5
142.99843	13.7
151.00418	6.1
156.99672	17.6
173.00935	17.1
174.01698	6.1
179.21275	2.9
184.99165	5.4
193.01414	7.4
201.02281	10.8
201.91080	2.9
217.01808	11.9
225.32750	2.8
245.01256	100.0
246.01477	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	244.9803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
56.98039	0.9
57.03450	0.7
59.01381	1.7
59.86769	0.4
60.27984	0.5
61.98831	3.2
63.94458	6.6
63.96243	5.2
64.95249	21.6
67.01891	0.5
68.99847	0.6
69.03465	1.0
70.99612	9.8
71.01374	3.3
71.61308	0.8
71.61687	0.6
72.99321	0.5
73.01187	3.1
73.02955	1.9
75.00813	0.9
75.02738	19.9
79.01918	0.6
79.93988	0.7
79.95744	2.1
81.03458	1.0
82.99615	7.9
83.01386	2.6
85.01189	0.7
85.02965	1.0
86.99102	21.2
87.00899	1.1
87.99443	0.5
89.00671	3.9
89.02473	0.5
95.93457	100.0
96.93413	0.5
96.94237	2.9
98.99091	2.3
99.00877	3.8
101.00670	1.4
104.97681	0.7
104.98386	13.6
106.99955	36.8
110.99091	0.8
111.00863	2.4
111.04551	0.5
112.98803	8.6
113.00674	1.9
115.00425	0.6
117.00163	0.8
122.95810	1.1
123.00858	0.9
123.04539	0.7
125.02431	1.4
126.98593	12.5
127.99410	0.5
129.00146	1.1
136.97366	1.0
137.02425	0.7
141.00122	1.3
142.99864	1.4
144.71046	0.4
151.00346	0.5
156.99655	2.3
173.00893	2.8
174.01599	0.6
174.99239	0.8
184.99130	1.3
193.01477	0.6
198.41133	0.5
201.02171	1.4
201.92488	0.6
208.80576	0.5
217.01749	2.5
244.98041	37.1
245.01218	13.2
245.08154	0.6
245.11754	0.5
245.13928	0.7
245.98273	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	244.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39279	0.3
63.96239	0.5
64.56750	0.3
64.95716	0.3
69.41637	0.3
69.89738	1.8
70.99622	0.6
73.01173	10.0
79.95741	100.0
80.96512	5.2
89.00665	4.3
98.20580	0.4
109.01707	0.4
112.10616	0.3
112.93739	6.4
112.94473	0.5
112.98784	0.5
113.19463	0.4
126.98604	0.4
129.42213	0.3
130.08751	1.2
132.18478	0.3
143.90170	0.4
152.96875	50.3
153.97157	0.6
202.95158	0.3
210.07726	1.0
228.08881	0.3
244.99655	3.5
263.50165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	12.5
56.98021	4.8
57.03452	2.1
59.01369	9.7
61.98816	3.4
68.99816	2.8
69.03441	3.1
69.66603	8.8
70.99603	61.5
71.01388	18.0
71.88419	1.5
73.01160	3.8
73.02959	9.3
79.01884	3.3
81.03490	2.9
82.99102	3.0
82.99609	60.1
83.01373	7.4
85.01172	3.6
85.02949	3.6
86.99114	2.0
87.00867	2.0
89.00674	18.5
89.02447	3.8
93.03422	2.4
95.05031	2.0
95.75167	1.7
97.02950	3.5
98.99104	5.5
99.00874	28.4
99.11083	1.6
101.00661	4.8
102.99405	1.7
110.99092	3.7
111.00885	12.6
111.04549	3.1
112.98803	67.5
113.00627	8.8
115.00329	4.2
117.00143	5.0
117.01936	2.6
123.00881	4.2
123.04487	3.6
125.02446	8.5
126.98600	69.6
127.99467	1.8
129.00179	5.4
141.00204	10.7
142.98045	2.2
142.99850	15.3
145.01447	3.2
151.00375	6.2
154.98064	3.7
156.99622	15.5
167.30128	1.8
173.00902	25.3
174.01633	7.1
184.98997	2.8
193.01410	5.5
201.02237	7.3
217.01758	11.1
245.01233	100.0
246.01636	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	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.01873	0.6
57.03435	1.4
59.01360	1.5
61.98806	1.7
64.95255	2.0
69.03447	0.9
69.77121	1.4
69.77535	1.1
71.05023	4.2
73.02922	1.3
79.95737	5.9
80.96524	2.5
83.05010	1.5
95.05017	0.9
95.21126	0.4
95.93436	0.7
97.02956	6.7
97.06563	2.3
98.20554	0.6
99.00886	25.6
100.01165	0.7
106.04243	0.5
109.06571	1.9
110.03722	2.0
111.00864	0.8
123.08155	1.3
125.09724	8.6
127.11276	1.2
135.08173	0.7
136.05276	1.4
142.02736	2.8
143.90050	0.7
144.90895	1.4
153.12788	1.1
155.14388	1.6
161.09697	0.8
163.10008	0.7
163.11305	10.0
164.11613	0.5
174.09538	0.4
174.71834	0.4
179.10707	0.8
181.12338	26.7
182.12645	1.1
197.11797	1.4
199.13393	23.7
200.13776	0.9
207.10255	53.7
208.10663	3.3
225.11311	100.0
226.11649	5.8
242.98253	1.3
243.12360	96.5
244.12741	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	244.1302
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
56.71722	0.7
58.02978	9.7
59.01367	1.3
63.96238	1.4
67.02332	0.6
69.57026	1.2
69.57433	3.7
70.02970	3.0
73.04067	2.7
74.02470	6.7
75.02737	1.1
76.97021	0.7
78.95901	5.8
79.95764	0.8
82.02981	1.5
82.06643	1.4
85.61610	0.6
87.00848	1.4
87.05630	1.1
94.02998	0.7
96.00939	0.8
98.02474	24.2
98.03117	1.2
99.02813	0.6
108.04554	5.3
109.01675	2.1
110.02478	0.6
110.06090	1.4
112.07696	1.3
112.98833	0.7
113.03578	30.5
114.09221	1.1
115.08772	0.7
126.04327	1.0
130.08740	100.0
131.09076	2.0
136.04059	4.7
138.09230	0.9
139.08757	1.4
140.07172	3.8
141.10345	13.4
143.11909	4.6
152.99588	4.6
155.11873	1.2
160.86539	0.6
165.10344	2.4
166.08771	1.2
167.26004	0.6
169.09814	2.5
171.00568	0.7
174.99217	1.9
182.12938	2.1
183.11391	10.4
200.14055	2.6
210.07736	5.8
226.12056	0.9
227.10376	21.9
228.10785	0.9
244.13020	44.2
245.04305	4.2
245.13367	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01378	1.3
59.37453	0.5
61.98832	6.4
67.01846	0.7
71.05031	3.0
71.38705	0.8
83.05034	1.2
87.16478	0.5
97.02969	3.9
97.06580	1.5
99.00888	18.2
109.06625	1.2
110.03749	1.3
118.56464	0.5
123.08209	0.6
125.09729	4.9
127.11327	0.7
135.08179	0.8
136.05296	0.8
142.02702	1.6
153.12769	0.5
155.14423	1.9
163.11313	6.6
164.23166	0.5
172.16135	0.6
181.12340	17.3
197.11807	0.9
199.13396	11.9
207.10260	36.9
208.10628	2.2
225.11322	69.3
226.11691	3.8
243.12372	100.0
243.90007	1.1
244.12668	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
53.80724	0.5
57.03440	3.2
59.01380	69.9
60.01725	0.7
60.99281	0.5
61.40066	0.5
61.98830	3.9
69.03439	0.6
70.70545	0.5
70.88656	1.7
71.05028	0.6
73.02950	4.9
79.81426	0.5
82.03017	0.5
83.05016	0.9
85.02950	0.6
90.85917	0.5
95.05030	1.3
99.00897	0.8
110.92464	0.5
129.05553	1.2
137.09666	1.3
139.11298	44.3
139.99588	0.5
140.11633	1.9
155.10748	0.6
163.11293	2.3
165.09201	2.5
181.12349	29.1
182.12666	1.4
183.10268	60.1
184.10600	3.1
197.11774	1.0
199.13387	26.0
200.13757	1.7
207.10280	2.5
215.86653	0.5
225.11320	19.5
226.11598	1.4
243.12363	100.0
244.12671	5.7
245.85963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03447	2.4
59.01393	3.7
61.98813	1.3
67.01886	4.2
69.03450	1.1
69.26419	3.1
69.26840	4.2
71.01376	1.3
71.05020	0.9
72.02143	0.9
72.63257	0.6
73.02942	0.9
79.95746	1.9
80.67207	0.7
80.96542	0.8
83.01378	3.0
83.05021	1.1
83.31580	0.7
85.02950	17.2
87.00879	33.6
89.02444	1.9
95.01378	2.3
97.02968	2.0
97.06567	1.2
98.03705	0.8
98.19885	1.1
100.01667	13.5
101.02448	1.5
108.02087	0.8
109.01698	2.0
110.02485	0.8
111.00892	3.9
112.93672	0.8
113.02406	0.9
113.09725	1.5
115.00320	1.8
115.04024	4.9
115.07636	3.2
117.01935	1.1
123.00835	0.9
123.08157	7.7
127.07659	4.1
129.01872	1.1
133.59554	0.7
137.09677	1.3
139.00377	2.1
139.07635	1.6
139.11299	9.8
141.09219	15.4
143.07132	21.4
145.08676	0.8
150.03229	1.5
151.07646	2.3
152.96881	0.9
154.02661	1.0
155.10767	1.2
156.07921	13.6
157.08582	1.0
162.27145	0.7
165.09186	2.4
167.07133	2.5
167.10783	4.6
169.08751	1.5
171.10229	2.3
183.10214	4.2
193.08694	11.0
195.10197	0.8
210.08954	3.3
211.09764	17.7
212.09972	1.0
223.95810	0.7
225.11327	2.6
228.10022	23.1
229.10257	1.2
235.17374	0.8
239.02496	0.7
243.12357	100.0
244.12755	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	242.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24319	0.4
56.42239	0.4
63.96227	1.5
64.97021	0.5
70.99613	1.3
71.30994	0.8
73.01173	17.4
79.95738	100.0
80.96513	10.5
81.85503	0.4
89.00672	6.8
112.93735	11.4
129.03789	1.3
129.10356	0.4
130.08745	8.3
136.40927	0.4
141.40138	0.4
152.96860	61.3
153.97171	1.2
156.01283	0.5
199.18121	4.1
242.98227	2.7
243.08746	1.1
243.17130	15.5
243.19641	0.8
244.17331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13299	0.6
53.58092	0.7
60.97515	0.7
63.96242	91.9
64.97025	27.5
67.38297	0.7
70.99607	3.0
73.01174	33.7
74.29369	0.7
75.02739	55.1
76.97014	0.8
77.55508	0.7
79.95741	100.0
80.96519	19.4
82.06627	1.2
89.00675	13.3
90.94285	0.7
105.03806	1.6
110.02474	1.7
111.00931	1.2
111.92936	6.3
112.93739	17.2
114.01461	1.3
119.05051	2.1
122.14610	0.7
127.02203	1.4
127.92440	1.5
129.03815	12.7
129.10393	1.6
130.08737	11.7
137.00980	2.5
150.52048	0.7
152.96866	27.0
156.01262	1.1
163.04037	2.0
168.96385	1.2
179.02061	20.7
179.03560	1.5
180.02448	0.8
182.15521	1.8
199.18120	10.6
201.94351	11.3
209.50838	0.6
216.52017	0.7
217.28496	0.7
242.98180	19.1
243.01639	3.4
243.08311	2.2
243.12476	1.1
243.17166	29.8
244.17459	0.7
254.17461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01854	0.8
59.01374	1.4
61.18394	0.6
66.03485	12.7
68.01419	2.8
70.10374	1.5
71.01395	3.0
81.25354	0.7
82.02983	32.3
82.63643	0.8
83.01377	1.3
84.04552	1.0
94.02984	2.6
96.04546	1.4
96.24116	0.7
100.11075	0.8
108.04559	2.1
110.02477	100.0
111.02016	4.5
111.02824	2.4
112.98803	2.4
120.04508	0.8
122.02481	8.7
124.04070	1.7
126.05553	0.9
129.10352	0.8
132.03006	0.8
140.03552	11.2
142.99835	2.0
152.03539	17.0
153.03035	8.1
173.00919	2.3
200.05638	38.0
201.06000	1.5
203.57837	0.7
205.03461	0.8
226.11971	0.8
243.06184	27.5
244.06500	0.9
244.13115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96247	0.3
73.01186	0.4
79.93978	2.3
79.95737	32.5
80.96520	7.5
86.02436	0.3
94.98122	0.3
106.98096	4.5
111.92984	0.3
112.93736	9.6
114.01463	0.6
120.01270	1.7
124.00744	100.0
125.01056	0.6
127.02209	0.7
129.03806	5.7
134.29886	0.3
152.96864	0.4
155.34586	0.3
160.04402	0.3
187.77872	0.3
226.99712	0.5
229.50880	0.5
242.04922	66.1
242.98232	7.3
243.05170	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	242.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
61.98869	0.6
79.95739	57.2
80.96516	22.2
96.95980	0.5
112.93735	100.0
113.93703	0.8
114.01443	2.7
114.04523	0.5
124.00734	0.9
126.85973	0.5
127.02252	1.3
129.03806	23.3
130.08760	1.6
132.17178	0.6
145.03328	0.6
152.96841	1.5
199.18161	1.4
242.98230	21.3
243.05196	0.9
243.17152	5.3
243.98555	0.8
249.40196	0.6
261.88150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1445
Annotation	A Factor
Peak:m/z	Relative Intensity
59.01380	100.0
61.98836	25.2
71.05033	2.5
71.61064	1.9
78.98589	1.9
87.99940	1.3
103.92028	8.5
125.03079	1.5
135.52348	1.3
135.94800	2.4
138.35933	1.3
149.91264	1.9
176.30782	1.4
213.91670	4.0
241.14442	36.9
241.18030	2.3
241.21606	9.5
242.14763	2.8
262.97604	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	241.2173
Annotation	Methyl myristate
Peak:m/z	Relative Intensity
57.27299	0.6
58.00595	6.8
59.01368	0.9
59.83918	0.6
61.98834	5.3
67.04560	0.6
71.01377	3.0
71.37881	1.0
73.02945	5.2
96.46515	0.7
103.92029	2.5
117.57868	0.7
163.64577	0.7
183.17564	0.8
184.00232	1.1
185.24771	0.7
197.15483	0.9
209.19115	3.0
211.20667	53.0
212.20972	2.3
213.22292	1.0
213.91771	1.1
223.20656	1.8
239.20148	8.0
241.07120	1.1
241.21724	100.0
242.22081	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	241.2174
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
59.58292	0.4
61.98837	1.1
70.62406	0.5
70.62735	0.9
81.24986	0.5
99.11626	0.4
99.92597	0.6
103.91996	1.1
149.91304	0.5
155.99480	0.5
206.82672	0.5
211.31711	0.4
241.21735	100.0
242.22095	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	241.083
Annotation	Thymidine
Peak:m/z	Relative Intensity
51.94026	2.9
57.03448	3.3
59.01373	10.8
61.98826	4.8
70.59245	2.8
71.59750	3.3
72.99337	2.9
73.01146	5.2
78.95922	14.3
79.95756	5.2
80.96510	8.5
82.02980	5.1
87.00860	4.9
96.96000	6.1
96.96995	3.9
108.04516	3.9
109.02941	4.3
112.04060	7.1
119.40514	3.5
125.03563	10.9
137.02422	4.7
143.01724	4.8
151.04013	5.3
151.05090	24.9
152.96873	13.7
153.01237	27.3
163.00407	8.7
170.45673	2.9
178.02681	10.0
181.01451	4.0
183.06606	3.3
193.05022	3.9
197.13066	6.8
198.07712	4.5
208.57797	3.4
211.06058	7.0
241.01234	6.5
241.08386	100.0
241.12131	6.7
241.14517	8.0
241.18022	6.4
241.21655	17.5
242.08443	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	241.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77393	0.5
57.03463	0.6
58.02956	1.4
59.01336	0.6
59.10264	0.5
61.98824	1.7
69.67536	3.0
70.02972	4.2
73.02944	0.7
75.60265	0.6
79.95741	9.0
80.96520	14.9
82.02983	27.1
82.06616	1.9
83.05042	0.5
84.04559	3.2
96.04539	0.9
96.26866	0.5
98.02512	0.9
98.20603	0.9
103.92039	0.6
105.47629	0.5
109.04039	1.0
110.02483	1.4
111.03230	1.4
111.04477	0.6
112.04050	6.3
112.93718	1.5
113.04362	0.7
114.09232	1.6
119.97097	2.2
123.04552	0.6
126.09241	1.9
127.05141	5.4
130.08739	9.9
141.10347	18.7
142.99948	4.3
151.07523	0.5
152.96880	0.6
154.12408	1.2
158.99474	0.7
159.75780	0.5
161.00952	4.3
167.11919	1.6
168.09058	1.9
169.09801	1.5
169.13536	2.5
181.12454	0.6
195.11435	1.5
197.12955	80.6
198.13304	4.5
225.99544	0.8
240.96692	4.4
241.11948	100.0
241.21584	2.5
242.12241	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	239.2017
Annotation	Ajanol
Peak:m/z	Relative Intensity
51.93421	4.2
53.63315	4.3
57.03458	8.2
58.00591	62.0
59.01382	73.8
61.98833	41.8
63.94458	9.4
63.96244	5.5
71.01378	28.9
71.05034	6.7
71.31709	9.8
72.02164	15.1
73.02953	13.4
77.23276	3.9
78.96816	52.5
78.98591	24.5
87.00894	13.2
89.06273	3.8
95.01387	3.7
98.24354	4.3
99.00831	5.1
115.02244	5.1
115.04029	24.4
123.04480	4.1
141.93515	4.6
142.99916	12.7
161.04567	12.1
167.78937	4.4
179.05600	48.4
195.13889	6.1
211.20613	4.5
221.15421	5.5
221.19099	21.3
223.02832	52.8
239.09401	7.1
239.12816	10.2
239.13953	5.0
239.16544	100.0
239.20151	95.7
240.16917	6.2
240.20360	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	239.2016
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
50.09155	1.8
57.17098	1.8
59.01376	16.6
59.01852	1.7
61.98830	10.6
66.30587	1.8
68.65125	1.8
71.11983	2.0
74.99072	2.3
75.48611	1.8
77.27135	1.9
83.01389	2.1
87.00878	3.4
95.01366	2.5
98.20676	2.9
99.92526	1.9
104.92789	1.9
112.15120	1.8
115.92119	2.3
123.00892	4.8
146.93843	2.0
151.07613	2.0
154.06361	3.9
161.04561	2.6
179.05672	10.0
195.13919	11.5
207.04062	12.0
210.94099	2.8
223.02786	14.5
239.06754	55.5
239.09105	1.9
239.12193	4.4
239.20157	100.0
240.07100	2.4
240.20441	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	241.0121
Annotation	D-myo-Inositol 1,2-cyclic phosphate
Peak:m/z	Relative Intensity
54.59924	0.9
59.01370	1.4
70.94619	1.9
72.99310	1.2
78.95906	100.0
96.95982	4.2
96.96964	27.0
105.01929	12.5
122.95135	1.0
138.94698	1.5
142.97632	1.2
157.58643	1.0
165.04013	3.2
168.01498	1.9
180.95799	5.7
186.02577	2.6
196.95027	1.4
198.90511	1.9
223.00169	1.1
240.91649	1.4
241.01176	78.2
242.01572	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	241.012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60325	3.6
54.01085	3.8
57.03429	9.4
59.01368	14.3
71.01381	28.2
71.60427	5.4
72.99309	5.9
73.02962	6.8
73.15087	4.1
75.00849	6.0
78.95901	20.1
83.01405	10.4
85.02965	5.6
87.00890	4.5
94.70114	4.8
96.96976	11.4
98.02481	4.3
99.00887	39.8
107.05074	3.8
111.00879	23.0
111.14863	3.8
112.07663	8.2
112.98814	100.0
115.00384	10.0
117.01905	5.5
129.01941	21.0
135.04588	6.1
142.99867	70.0
145.01421	12.4
155.03511	4.5
164.65797	4.0
173.00912	83.3
182.04471	5.1
198.95923	4.6
205.03528	33.9
208.98573	17.8
235.76990	4.3
241.01280	22.2
242.06662	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	239.1653
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
57.03437	5.2
58.00595	10.4
59.01380	25.8
61.98838	9.6
63.59809	1.0
63.94466	6.0
63.96218	1.9
69.03453	1.6
71.01378	4.8
71.05006	5.6
71.60891	1.3
72.02153	2.4
73.02934	3.6
74.99058	1.3
76.42700	1.2
77.25941	1.1
78.96815	28.6
78.98577	5.3
85.02959	2.4
85.06595	4.6
87.00869	2.5
91.02200	1.8
99.00883	1.2
113.06056	1.7
115.04017	27.1
123.00904	2.6
131.51523	1.1
142.99913	8.9
161.04565	3.2
165.12839	1.7
179.05609	12.9
181.37811	1.3
193.15919	1.3
195.13985	1.7
207.62329	1.2
221.15475	8.2
221.19124	4.3
223.02832	12.9
237.14928	2.9
238.96837	1.7
239.12682	3.3
239.16510	100.0
239.20079	14.8
240.16855	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.63504	0.4
59.01384	1.7
61.98821	0.7
62.28316	0.3
63.96220	0.4
70.18230	1.5
78.98583	0.7
95.05036	0.9
98.20570	0.4
101.06084	8.0
107.39595	0.4
109.06592	5.4
111.08157	4.7
122.03740	0.7
125.09740	0.8
135.11812	0.7
138.06842	0.7
139.04008	13.5
151.11288	0.8
154.06358	33.3
155.06731	1.1
165.12868	0.4
167.14404	9.7
167.15764	0.6
179.05602	1.0
179.10779	5.3
182.05846	3.6
195.13896	100.0
196.14226	5.2
223.02834	0.6
239.12874	6.9
239.20111	0.9
256.79865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01379	5.2
61.98827	1.3
68.11510	0.4
69.55882	2.5
71.01375	0.4
78.46654	0.4
78.96822	1.7
78.98591	0.8
83.05019	0.7
97.06615	0.6
98.20660	0.9
116.49518	0.5
145.08395	0.5
154.27426	0.4
161.04602	0.5
177.12854	2.9
179.05614	2.2
195.13895	100.0
196.14258	4.4
221.11842	0.5
223.02824	1.3
239.12892	11.0
240.13274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98830	0.9
65.36977	0.2
71.05037	0.3
71.12402	0.5
82.21834	0.2
134.03712	0.7
135.04570	0.4
136.05280	0.8
148.05307	9.8
149.05965	0.4
149.09741	1.0
162.06853	0.3
175.07623	0.7
176.08417	1.1
177.09207	45.5
178.09529	2.3
190.09952	1.7
191.10779	0.8
192.11563	33.9
193.11949	1.8
201.09215	0.9
203.07172	0.7
206.09473	0.3
209.15477	0.4
217.08717	2.9
218.09468	8.8
219.09828	0.7
236.10535	100.0
237.10912	6.8
237.14725	1.2
242.21458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0616
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
54.39244	1.0
57.03446	2.7
59.01380	7.6
62.82238	1.0
62.95565	1.0
64.93232	0.9
70.45238	4.0
71.01389	5.3
72.99313	1.2
75.00879	26.3
78.95905	67.0
82.78973	0.9
83.01365	1.0
85.02943	4.9
87.00876	100.0
87.04523	1.0
89.02444	3.3
93.95575	0.9
98.20638	1.3
99.00842	1.3
101.02454	3.2
108.90739	1.0
112.13881	1.0
113.02438	1.0
129.01949	16.6
147.02969	1.3
150.43854	1.0
186.02522	1.1
187.43619	1.4
194.93739	5.0
218.86844	7.1
224.48740	1.1
230.12367	1.1
236.73999	1.0
236.87915	4.3
236.94644	1.3
237.06155	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	12.0
56.21310	1.3
57.03448	9.0
58.00586	3.9
59.01377	83.3
60.54192	1.3
61.98828	1.3
63.61092	1.5
68.69672	1.3
71.01382	99.4
71.60314	2.3
71.81504	1.3
72.99310	6.0
73.02944	37.0
73.04073	2.9
74.99075	1.8
75.00876	5.7
78.95900	3.4
83.01379	24.8
85.02953	61.1
87.00884	6.0
89.01911	2.0
89.02444	15.1
95.01373	8.0
97.02952	3.3
99.00900	13.9
101.02442	100.0
102.02748	1.5
111.00873	1.8
113.02444	40.5
119.03480	2.9
125.02416	2.7
129.01981	3.1
143.03587	2.6
149.02774	2.3
159.02965	10.1
161.04549	36.1
205.03590	2.1
220.59532	1.4
233.50369	1.5
237.06114	2.8
237.09851	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1496
Annotation	Oxyphyllenodiol B
Peak:m/z	Relative Intensity
50.87794	1.1
59.01381	18.0
60.99015	1.2
61.98829	8.9
66.41662	1.1
69.03456	1.5
70.13612	1.0
70.66798	3.4
71.01398	1.5
71.05016	19.7
73.02944	1.2
75.00871	2.6
84.44858	1.1
85.02952	2.8
93.03461	1.6
96.96020	1.2
97.06593	10.8
101.02444	2.5
113.02419	1.4
116.92847	1.8
117.03419	1.2
121.10208	1.7
135.39102	1.2
152.91832	1.2
153.09166	5.5
161.02457	3.2
164.89563	1.1
165.09184	1.8
177.12767	1.4
178.09579	1.6
179.07227	1.1
179.10747	3.0
187.40385	1.4
191.14432	1.5
193.01244	1.1
193.15965	9.7
209.15465	30.7
210.15848	2.3
219.13892	20.3
237.11256	2.5
237.14952	100.0
238.15157	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	237.1497
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
59.01382	79.1
61.98831	32.7
63.96285	3.3
64.36107	3.1
68.01395	4.1
68.62033	3.3
69.03452	15.4
69.85698	18.2
70.99583	9.0
71.01381	5.2
73.02939	3.4
74.09830	3.5
75.00865	12.3
78.95906	4.6
85.02958	5.1
89.02505	3.5
95.01421	3.7
97.06577	22.6
98.19936	4.1
101.02455	6.3
116.92851	6.1
122.03755	4.3
123.08163	36.6
133.02911	3.2
147.11794	5.2
160.43092	3.2
161.02464	25.2
163.11249	4.2
164.89569	4.2
164.96373	3.8
165.12898	5.2
167.07115	5.0
175.14940	6.8
178.09988	5.2
179.10802	35.3
191.14331	3.6
193.08659	4.6
219.13910	6.1
237.11269	10.3
237.14935	100.0
238.15173	8.6
246.59088	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	237.1495
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
50.38653	0.4
57.03449	0.6
57.34704	0.3
59.01381	18.2
61.98798	0.8
67.76818	0.4
68.06172	0.3
70.74133	1.0
71.01382	0.5
71.20016	0.3
80.02687	2.5
81.03457	7.5
81.03931	0.7
87.04500	0.7
91.52035	0.3
95.05029	0.5
101.15652	0.4
104.47628	0.4
123.08163	8.9
125.09721	11.6
135.08093	0.4
137.09717	3.8
147.08167	0.4
149.09752	3.8
158.17097	0.4
159.56500	0.4
161.02408	0.5
163.11261	1.9
165.12846	11.4
165.14246	0.6
166.13239	0.7
169.08694	2.1
177.12885	0.4
179.10742	1.2
191.14369	1.8
193.15938	3.9
197.32704	0.4
219.13905	0.9
222.35141	0.4
237.14943	100.0
238.15265	5.9
246.50282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15995	1.0
56.02571	1.1
57.03454	1.2
57.97563	1.3
58.99599	1.6
59.01377	8.5
60.97511	1.8
61.98782	1.1
63.96241	6.5
70.17464	5.3
71.01368	1.2
72.00915	1.8
73.02916	1.2
74.02473	2.0
75.02733	5.0
76.97021	2.4
78.95889	1.7
79.95739	4.5
80.05048	2.6
85.02948	1.5
86.00700	3.5
86.99120	1.4
87.00906	2.5
87.99887	50.1
89.00678	4.2
96.04543	8.1
96.96017	3.9
98.20644	1.3
122.06132	9.1
130.03325	100.0
131.03656	1.5
132.90561	2.0
138.98929	3.3
147.04482	3.3
150.05571	6.9
161.04504	2.3
162.05780	1.7
164.07138	10.6
178.05090	23.3
179.05594	8.5
194.08174	1.6
223.02844	1.6
238.02133	1.6
238.07237	13.6
238.88518	3.6
239.05807	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	239.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99913	0.2
59.01372	0.7
59.96721	0.4
61.94202	0.2
61.98821	0.2
62.32807	0.2
63.96219	0.4
70.61369	0.5
74.99071	12.3
75.96217	0.5
78.96828	1.5
78.98586	0.8
80.09092	0.2
91.02209	10.4
93.00135	4.1
142.99954	0.3
149.00955	5.8
150.01013	0.4
150.98857	0.5
155.67964	0.2
179.05594	0.5
195.13741	0.2
206.99734	2.9
223.02824	100.0
224.02859	7.4
239.05946	0.8
241.03839	1.6
242.03854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1499
Annotation	Huperzine W
Peak:m/z	Relative Intensity
50.68409	0.3
59.01380	4.9
59.20375	0.3
60.01698	1.1
60.88021	0.3
60.94009	0.3
61.98814	0.5
64.81203	0.3
65.65227	0.3
69.62651	0.3
70.16118	0.3
71.01334	0.3
71.61385	0.5
99.92610	0.4
118.98060	0.3
119.01382	0.3
163.00320	0.5
178.31778	0.3
179.07072	0.9
189.98808	0.5
199.84993	0.4
207.13878	1.0
218.11819	2.1
234.14975	100.0
235.13281	0.2
235.15269	6.1
251.11618	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	235.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.3
61.98834	1.1
70.00835	0.9
70.99603	2.3
73.01173	100.0
74.01122	0.4
74.01508	1.3
85.02949	0.2
87.94460	0.6
92.53857	0.2
94.02983	0.3
102.96837	1.4
103.12016	0.2
108.91640	0.2
120.99653	0.2
121.02975	0.5
134.94011	1.9
152.98462	0.5
161.02664	0.3
162.89400	0.4
186.97176	1.3
191.07211	0.3
235.04576	2.9
235.13652	0.4
235.16115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1087
Annotation	3061-90-3
Peak:m/z	Relative Intensity
54.64294	1.1
59.01382	18.4
61.98832	6.1
68.66526	1.1
70.02973	2.3
71.01379	1.5
71.60718	1.3
72.00890	1.2
73.02974	1.8
74.79044	1.0
79.95774	1.7
85.02969	1.7
87.05640	100.0
88.05995	1.8
91.05544	3.1
94.03000	2.4
99.04536	1.1
101.02450	1.5
119.85651	1.1
121.06583	1.2
137.06123	1.1
138.27419	1.2
146.06195	1.4
147.04532	24.1
148.04024	2.6
148.05132	1.4
150.62915	1.4
162.89391	2.7
164.07173	9.3
174.05669	3.0
176.04733	1.4
190.05157	1.4
191.07016	1.4
191.11884	3.7
235.07292	2.9
235.10912	74.5
235.13182	2.6
235.16096	3.4
236.11159	2.5
258.51343	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	236.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.8
59.01359	7.4
60.71040	2.5
61.98837	25.8
68.65343	2.4
69.17950	2.7
71.01403	4.3
71.59839	2.5
71.60262	4.2
72.99309	71.8
74.99076	4.2
75.00889	3.8
78.95889	18.0
79.95749	3.1
84.65305	2.8
85.02947	5.1
87.00879	41.7
88.04031	7.0
89.17771	2.5
92.05067	41.9
101.02393	3.9
116.05046	3.9
118.02969	6.8
118.06630	9.8
118.22100	2.3
120.03751	4.2
120.04551	48.9
128.05067	20.5
130.06631	25.9
131.03760	17.7
134.06073	9.5
135.01286	3.3
136.04082	3.6
144.04559	95.7
146.02490	47.6
146.06134	36.6
147.03044	3.4
147.04504	5.5
148.04050	42.8
149.06354	6.3
151.00673	2.8
160.04030	3.1
161.02353	4.5
162.05553	4.9
164.07181	17.8
172.04028	18.9
174.05600	62.1
175.05956	4.0
177.55260	2.7
190.05078	31.0
192.06685	9.8
205.51958	2.8
206.04942	3.1
208.06076	2.9
218.04555	16.1
236.05647	100.0
236.09160	3.9
236.11198	3.6
237.05934	4.2
237.07962	4.1
237.11230	3.8
249.65688	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	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67224	0.4
59.01375	2.1
59.96706	0.3
60.97507	0.6
70.04073	1.1
70.04482	0.5
74.99075	6.8
75.96230	0.3
77.54386	0.3
91.02223	1.1
93.00137	3.0
98.19844	0.3
118.96283	0.8
134.99406	7.3
136.97331	2.7
141.07411	0.5
143.05377	1.1
149.00960	72.4
150.00917	2.9
150.98886	0.6
159.08472	2.1
161.06407	4.1
167.01981	0.5
187.02454	0.4
201.04059	0.5
215.05626	1.5
217.07208	100.0
218.07323	6.8
233.10339	98.7
234.10512	7.3
235.08313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.9617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01381	5.8
61.98820	0.7
62.47106	0.3
71.01384	1.5
72.99316	1.1
75.00883	2.2
78.95904	0.8
78.98602	0.8
79.95738	100.0
80.95708	0.3
80.96519	6.2
82.56380	0.3
87.00887	0.4
87.99889	0.8
89.00671	6.7
93.03439	0.5
96.94254	0.7
96.96025	0.9
96.96983	0.3
101.00628	0.3
105.00179	0.3
108.51511	0.3
115.92054	0.3
125.06079	0.3
129.01891	0.3
130.96605	0.4
133.71544	0.3
135.95647	0.7
142.94809	0.8
153.00508	1.0
168.96349	1.0
169.97139	1.3
172.97650	0.7
173.04558	0.5
189.09171	0.4
190.98776	1.2
191.07375	0.3
191.94632	1.2
215.09233	0.3
232.96147	7.6
233.10359	1.2
233.15466	22.1
234.15826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01377	5.1
60.46340	0.4
64.26524	0.3
67.34901	0.3
69.52241	0.4
69.52648	2.2
71.01385	1.4
75.00882	0.5
79.95737	20.7
80.96516	6.3
85.02936	0.4
88.22048	0.3
89.00674	0.3
93.03452	3.0
96.96012	100.0
98.20695	0.5
106.04134	0.4
107.05051	0.8
111.00887	0.4
129.02049	0.4
135.04527	11.4
136.04828	0.5
138.97096	3.8
141.95760	0.7
182.42587	0.3
215.00179	5.9
233.01251	80.5
233.15448	11.7
234.01579	2.8
234.15869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	40.3
61.58815	0.5
61.98821	0.8
70.13896	2.7
71.01396	1.0
73.01163	2.1
75.00864	1.7
79.95708	0.5
93.03462	1.5
104.98392	1.1
115.92126	0.8
127.02234	2.4
127.05909	1.7
142.99979	1.1
145.01517	4.7
145.02553	0.8
149.04495	0.5
153.03810	11.7
156.97888	1.8
157.98660	52.2
158.99467	7.1
160.89284	0.9
171.03072	3.8
173.04552	1.9
184.00267	1.4
188.98557	3.3
189.01880	0.7
199.02573	5.5
232.97745	2.5
233.01334	9.9
233.15474	100.0
234.15833	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.2
59.01382	33.7
67.01860	3.1
68.99821	2.1
70.12046	1.6
71.01388	25.4
71.59536	2.0
73.02961	4.6
78.95904	7.7
79.20579	1.7
79.95737	27.0
80.96526	5.1
83.01402	8.4
85.02948	5.8
87.00864	3.3
93.03445	4.9
96.96011	100.0
96.96925	12.8
99.00870	4.3
99.92574	3.3
101.02454	3.4
104.03524	3.6
111.00878	9.1
115.92072	5.1
129.01945	10.4
133.01405	4.0
135.04536	9.0
138.97067	4.1
140.92744	1.8
160.89249	3.7
173.00986	2.9
204.36526	1.6
206.27534	2.1
215.00249	5.2
233.01230	81.4
233.04698	3.2
233.15462	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1351
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
59.01380	1.8
62.04937	0.7
71.01406	0.9
71.59261	0.7
71.59597	0.7
72.99300	6.5
72.99612	0.6
73.02952	0.7
73.04076	16.3
79.95744	3.5
80.96524	0.6
86.02486	0.7
87.00889	1.0
95.76998	0.6
99.04491	0.7
114.09232	0.8
115.00342	0.8
115.91994	0.5
130.08746	97.3
131.09074	2.2
132.98206	2.7
141.10349	1.3
143.11913	24.8
151.04025	0.9
180.82120	0.5
187.10896	100.0
188.11232	3.5
188.97165	7.0
213.12459	1.0
231.13510	22.9
232.13934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1603
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
57.03445	1.3
59.01374	0.4
69.32459	2.6
71.01373	0.3
73.01184	1.3
78.96823	1.3
79.95731	0.2
85.02983	0.4
87.04562	0.4
96.99333	0.9
98.00130	0.3
98.20589	0.5
125.09736	0.3
127.11298	2.8
155.14432	0.9
158.92522	0.3
171.10272	4.5
183.13910	0.5
185.15439	0.4
186.43193	0.3
195.13995	0.6
211.13393	0.3
213.14961	4.5
214.15337	0.3
229.14436	2.9
231.16011	100.0
232.16357	6.1
232.73782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.81779	0.5
57.03439	0.6
58.79683	0.5
59.01365	0.6
61.98823	0.9
64.76627	0.5
71.01373	0.6
71.61205	0.6
82.63644	0.5
94.02134	0.4
95.53805	0.5
99.92567	2.7
116.92847	0.7
129.05579	0.5
156.89481	0.5
165.12874	1.0
167.14412	33.5
168.14731	1.3
173.02121	0.5
177.09401	0.5
185.15469	0.5
211.13387	33.1
212.13608	2.6
229.14427	100.0
230.14781	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	230.1397
Annotation	isobutyryl carnitine
Peak:m/z	Relative Intensity
59.01380	3.5
61.98831	3.6
62.89274	1.6
70.69248	2.6
70.69601	4.1
71.05020	17.9
84.17936	1.8
88.97129	1.7
99.92597	19.2
100.92592	2.3
110.57761	1.7
114.09216	2.4
115.92035	2.6
116.53644	1.7
119.76319	1.9
123.89419	1.9
130.08733	33.2
137.13893	1.9
149.22702	2.0
159.94684	2.2
186.14952	17.7
230.08240	2.5
230.13925	100.0
231.14240	4.0
231.17603	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03435	0.9
59.01390	0.3
81.80453	0.3
83.05032	0.5
84.02184	0.3
85.02968	0.5
97.06562	0.3
99.03055	0.3
103.75405	0.4
113.00660	0.8
125.09721	1.8
127.11301	3.4
128.32664	0.4
154.96513	0.4
155.14401	0.8
165.12868	0.7
167.14436	2.1
171.10262	4.2
177.72353	0.3
183.13925	1.5
193.12379	0.8
193.49998	0.4
201.14844	0.4
209.11812	3.2
211.13394	10.7
212.13722	0.6
229.14435	100.0
230.14771	5.3
230.54572	0.4
243.01416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
57.38953	0.3
59.01368	1.0
64.09400	0.3
71.05015	0.9
71.38226	0.5
79.95753	2.1
80.96525	0.7
84.02167	0.4
85.02959	0.7
106.98116	0.4
125.09719	4.9
127.11294	5.5
143.99635	0.4
155.14473	2.4
165.12869	0.4
167.14424	2.0
183.13902	0.8
185.15462	0.6
185.94849	0.8
200.81897	0.3
209.11798	2.0
211.13417	3.3
229.00192	0.6
229.14432	100.0
230.14774	4.8
231.73242	0.3
245.19817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.85088	0.2
57.03451	1.6
66.58051	0.2
69.46605	0.6
69.47015	1.3
71.05028	0.6
73.01181	1.7
75.00778	0.5
75.90383	0.3
79.95729	1.0
80.96519	0.5
81.95322	0.7
82.96088	0.3
83.05018	0.7
84.02166	0.4
85.01173	0.3
85.02927	0.7
97.02940	0.3
97.06600	0.5
99.92609	0.4
111.00849	0.4
112.93736	0.3
113.00635	0.4
113.02459	0.3
114.93268	0.3
125.09724	3.1
127.11289	4.5
135.30659	0.3
152.96869	0.8
154.96387	1.6
155.14426	2.4
165.12842	0.8
167.10672	0.3
167.14397	1.6
168.99641	0.4
171.10281	4.7
183.13902	0.8
185.11726	0.4
185.15543	0.4
193.12303	0.4
201.14973	0.5
209.11830	3.6
211.13388	7.0
228.98314	0.6
229.14427	100.0
230.14763	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
56.00576	0.3
59.01366	0.3
60.10837	0.3
70.37702	0.8
99.98216	0.2
111.08139	0.8
123.22064	0.2
126.11762	0.3
144.26804	0.3
165.12842	18.9
166.13153	1.0
183.13893	100.0
184.14235	5.1
209.11824	2.0
227.12885	18.7
227.20166	1.1
228.13196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2017
Annotation	Myristic acid
Peak:m/z	Relative Intensity
64.42287	0.3
71.51058	0.6
85.89410	0.3
104.11204	0.3
182.60655	0.4
227.20166	100.0
228.20483	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	228.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27931	2.1
52.65999	1.9
60.97536	27.3
63.34019	2.1
63.96244	100.0
70.03085	8.4
76.97034	82.6
77.97842	1.9
79.95261	4.6
79.95742	94.8
80.96530	10.7
81.83656	2.1
95.93462	2.6
97.02923	2.5
121.59731	1.9
198.05804	2.4
228.06944	3.7
228.20439	2.2
239.19125	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
57.64105	0.4
59.01370	0.9
71.03701	0.4
73.01167	5.9
78.94788	0.5
79.95737	100.0
80.96516	40.7
87.21410	0.4
89.00671	8.8
99.92553	0.5
104.98370	1.8
106.98090	37.8
111.00905	0.8
111.08162	0.5
112.93734	1.2
120.99647	6.7
122.00447	0.8
123.70489	0.4
124.33329	0.4
136.99165	0.6
139.11290	9.1
152.96857	18.6
153.12804	0.4
153.99419	10.0
154.98422	1.9
154.99713	0.7
163.11319	0.6
165.12872	1.1
183.10291	1.3
183.13905	1.9
199.13350	0.5
209.08261	0.7
209.11832	3.8
226.98750	33.8
227.09236	1.7
227.12872	11.9
227.16508	0.9
227.20135	5.6
227.99033	1.0
228.13303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1497
Annotation	Annuionone E
Peak:m/z	Relative Intensity
55.78923	0.9
59.01382	6.2
61.98829	46.9
64.56374	0.7
64.95235	2.6
69.74245	2.3
69.74660	2.5
73.01164	1.1
79.93956	2.4
81.03445	1.0
83.05026	2.1
84.11236	0.9
93.03461	7.3
98.20535	1.1
98.80606	0.8
102.34368	0.7
109.02955	1.4
118.96308	1.1
126.90530	1.9
137.02458	3.6
141.86873	1.2
142.99940	1.4
143.86488	3.8
151.11305	1.1
162.83870	2.0
163.11258	1.2
163.14954	1.0
165.01898	1.9
177.01979	1.3
178.83397	11.3
181.12369	2.3
192.04158	0.9
193.31581	0.8
195.02991	5.3
195.13864	8.6
197.15414	4.5
206.99414	1.1
207.10451	1.7
207.13881	23.7
208.14307	1.8
210.05377	2.2
220.68672	0.8
224.90596	1.5
225.00400	2.4
225.03999	1.0
225.07722	2.4
225.11298	5.7
225.14949	100.0
225.92639	14.9
226.15318	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	225.1609
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
56.22313	0.3
57.03438	0.5
58.02977	0.5
59.01365	1.6
65.95259	0.5
69.03455	0.5
71.01362	0.6
71.60397	0.5
79.95758	0.5
80.05048	0.8
81.03458	16.2
83.05027	82.9
84.05352	2.2
93.03461	2.3
96.95992	0.9
97.02913	0.5
107.06134	0.7
108.04517	0.8
109.03008	0.5
119.05084	0.5
121.02998	0.5
125.07248	3.4
137.02435	2.1
137.06099	3.8
138.05627	0.5
143.08275	2.1
163.11320	0.5
165.01968	1.0
166.12395	0.4
180.04314	0.6
181.12355	0.4
195.03003	0.6
195.06645	0.8
207.15015	11.3
208.15295	0.5
210.05252	0.7
218.89592	0.4
225.00264	0.4
225.04193	1.0
225.07655	1.0
225.11583	2.3
225.16078	100.0
226.16388	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03456	0.3
59.01380	100.0
60.01717	0.7
61.98832	1.1
69.50079	1.1
69.50506	1.5
70.99603	0.4
71.01364	0.4
71.05009	0.6
72.99306	0.5
78.96838	0.7
85.02966	0.4
87.00888	1.2
88.95232	0.4
115.02258	0.8
121.02914	0.7
127.02227	0.4
137.02545	0.4
149.02448	1.2
158.99437	0.7
161.13367	1.3
163.11264	0.5
176.83556	0.4
182.78548	0.4
193.01431	1.5
205.12410	0.5
208.03778	1.7
222.99442	0.4
223.02794	2.1
223.06247	0.8
223.13373	14.4
224.03195	0.4
224.13777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01495	0.6
59.01381	3.6
61.98826	4.1
65.00320	0.6
69.03455	0.7
71.61086	0.7
73.01169	2.0
79.93964	1.2
81.03429	0.6
83.05014	1.2
93.03452	3.5
97.02955	10.7
99.00867	3.1
106.24883	0.5
109.06614	2.4
110.03752	3.6
110.61638	0.7
119.96989	0.5
125.09692	1.4
126.90501	1.3
135.08154	1.2
136.05281	2.6
137.02440	1.7
142.02707	5.8
143.86501	1.1
161.09685	1.1
163.11295	11.4
165.01956	1.1
178.83408	3.5
179.10873	1.0
180.04404	0.7
181.12347	32.2
182.12683	1.8
197.11884	1.7
206.99294	0.7
207.10268	74.6
208.10605	2.7
224.90544	1.1
225.00452	1.5
225.11322	100.0
225.92665	1.0
226.11719	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	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.91630	0.6
57.03434	0.9
57.14502	0.7
59.01381	6.1
61.98830	5.9
69.03460	9.0
69.37457	3.7
69.37868	1.9
71.05017	1.9
71.25394	0.7
74.99074	0.9
83.05016	1.0
85.06588	1.6
93.00079	0.7
93.03464	0.7
95.05010	1.1
96.96014	1.6
98.20678	1.4
109.06559	1.7
111.08148	0.9
121.02922	1.0
123.08128	0.8
125.09769	1.4
126.06564	0.7
135.11836	1.1
141.47284	0.7
141.86810	1.1
149.09682	1.6
151.03981	1.2
153.09198	0.7
161.13354	1.2
166.06343	4.8
167.10773	9.1
176.83633	2.4
177.12756	1.5
179.10799	2.8
179.14415	11.0
193.01372	1.6
195.13904	30.5
196.14270	1.5
205.12318	21.5
206.12584	0.8
208.03740	1.8
223.02754	7.0
223.13385	100.0
224.13719	5.3
237.90707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46530	1.1
57.03450	61.7
58.00592	2.0
59.01378	5.2
69.03465	2.9
69.25322	8.8
69.25748	3.7
71.01384	8.4
71.05016	1.4
72.02150	1.4
73.02947	13.8
81.03448	1.2
83.05023	5.3
85.02949	2.4
85.06607	2.8
93.03458	4.4
95.05046	2.4
97.02956	1.4
97.06586	3.0
99.04516	2.9
107.05048	2.0
109.02979	1.4
109.06624	2.0
113.06091	38.0
121.02143	1.9
121.02959	25.3
123.08181	8.5
125.06075	3.7
125.09711	2.7
129.70226	1.1
132.02185	1.5
135.04494	3.6
135.08167	8.5
137.06104	3.3
137.09723	26.8
138.06848	1.5
138.10017	1.4
139.07619	4.3
141.09264	1.7
147.04549	2.7
147.08174	3.0
149.02451	58.5
149.06071	2.2
149.09732	3.4
150.02765	1.7
151.07635	3.3
151.11308	6.6
152.01158	3.4
153.09216	28.1
161.09697	4.7
163.03984	3.5
163.11281	15.2
164.04794	36.4
165.01982	2.6
165.09200	29.8
168.49017	1.2
171.08069	1.8
175.07698	7.8
177.12814	2.1
178.09969	1.8
179.07100	1.8
179.10803	3.4
181.12340	2.7
187.11273	25.2
189.09241	3.3
190.10020	5.2
193.01416	11.7
193.12305	9.6
195.13924	4.8
196.14363	1.4
205.12334	46.0
206.12820	2.2
208.03763	19.4
208.11063	15.2
210.51596	1.3
223.02675	2.1
223.06136	17.4
223.13388	100.0
224.13699	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	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46530	1.1
57.03450	61.7
58.00592	2.0
59.01378	5.2
69.03465	2.9
69.25322	8.8
69.25748	3.7
71.01384	8.4
71.05016	1.4
72.02150	1.4
73.02947	13.8
81.03448	1.2
83.05023	5.3
85.02949	2.4
85.06607	2.8
93.03458	4.4
95.05046	2.4
97.02956	1.4
97.06586	3.0
99.04516	2.9
107.05048	2.0
109.02979	1.4
109.06624	2.0
113.06091	38.0
121.02143	1.9
121.02959	25.3
123.08181	8.5
125.06075	3.7
125.09711	2.7
129.70226	1.1
132.02185	1.5
135.04494	3.6
135.08167	8.5
137.06104	3.3
137.09723	26.8
138.06848	1.5
138.10017	1.4
139.07619	4.3
141.09264	1.7
147.04549	2.7
147.08174	3.0
149.02451	58.5
149.06071	2.2
149.09732	3.4
150.02765	1.7
151.07635	3.3
151.11308	6.6
152.01158	3.4
153.09216	28.1
161.09697	4.7
163.03984	3.5
163.11281	15.2
164.04794	36.4
165.01982	2.6
165.09200	29.8
168.49017	1.2
171.08069	1.8
175.07698	7.8
177.12814	2.1
178.09969	1.8
179.07100	1.8
179.10803	3.4
181.12340	2.7
187.11273	25.2
189.09241	3.3
190.10020	5.2
193.01416	11.7
193.12305	9.6
195.13924	4.8
196.14363	1.4
205.12334	46.0
206.12820	2.2
208.03763	19.4
208.11063	15.2
210.51596	1.3
223.02675	2.1
223.06136	17.4
223.13388	100.0
224.13699	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83984	1.4
52.78606	1.3
55.01874	6.3
57.03183	1.6
57.03450	21.1
57.49033	1.3
58.60969	1.3
59.01372	9.6
68.99823	1.9
71.01386	13.9
71.29790	2.1
72.99306	15.3
73.02944	2.3
75.00860	7.7
78.95908	6.4
81.03450	3.8
83.01394	11.6
84.02180	3.2
85.02954	100.0
86.87238	1.3
87.00872	5.2
96.96962	1.5
99.00865	6.3
101.02446	12.2
103.00411	1.7
106.75452	1.5
111.00879	46.6
113.02426	1.7
117.01915	1.8
125.02454	16.8
129.01950	47.2
143.03511	2.8
147.03001	15.1
161.04550	3.1
170.37964	1.5
186.27826	1.7
187.02480	2.4
189.00160	1.5
205.03539	44.0
209.81067	1.4
223.04576	63.1
223.06769	3.3
224.04898	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	223.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64407	1.0
70.23009	1.7
70.23395	1.4
79.01853	1.3
88.30816	1.1
93.03462	14.4
93.28567	0.9
94.06662	1.0
99.24338	1.0
101.34169	1.2
109.02914	1.2
121.02954	32.8
134.03801	1.1
135.04515	11.0
137.02480	3.1
147.04652	0.9
149.02446	64.5
150.02753	1.3
151.04076	2.5
152.01154	16.7
163.04021	17.4
164.04799	38.2
165.01944	12.7
167.03474	2.8
169.05072	7.7
169.13205	1.1
179.07126	13.0
193.01422	69.7
194.01811	3.7
207.02931	1.9
208.03773	100.0
209.04085	4.4
223.06117	59.9
224.06490	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	223.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.3
59.01384	1.5
59.04007	0.6
59.86416	0.7
60.52418	0.6
65.00327	0.9
67.01912	0.6
73.02947	0.8
74.99098	0.7
85.02955	1.2
89.04016	0.8
93.03462	6.7
98.19856	1.9
109.02959	1.5
113.06077	1.8
119.05019	1.0
121.02960	37.0
122.03362	0.9
132.02162	1.3
135.04530	5.3
135.08096	0.7
136.01700	0.7
137.02406	1.0
137.09714	0.8
147.04546	2.9
149.02446	100.0
150.02805	3.5
151.04045	0.9
152.01161	8.0
153.09221	2.0
163.04024	8.5
164.04797	68.9
165.01941	6.4
165.05153	2.5
165.09207	1.7
167.03500	1.2
169.05083	3.7
179.07150	7.3
179.10759	1.3
187.11247	1.1
193.01422	31.7
194.01733	1.4
205.12328	2.9
208.03758	44.5
208.11060	0.8
209.04193	1.6
223.02721	1.5
223.06116	30.6
223.13414	4.5
224.06403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31537	0.3
56.31244	0.3
57.03437	0.8
57.16784	0.4
58.02975	0.6
58.99594	0.5
59.01392	1.5
61.01182	1.1
61.98842	2.0
67.68636	0.4
71.01383	1.2
72.99310	1.0
73.01169	2.0
73.02950	2.7
74.99094	0.9
75.00896	0.4
78.95926	0.5
79.95763	0.5
80.96563	0.4
83.01429	0.5
85.02948	3.5
87.00874	4.3
87.02770	0.5
87.04530	1.9
89.00671	2.2
93.03472	0.6
96.96021	0.5
100.00386	0.4
108.04601	0.4
111.00891	1.6
117.03796	1.2
121.03133	0.4
125.02499	1.0
129.01921	1.8
133.03285	2.3
135.04863	100.0
136.05205	2.1
137.02457	0.4
137.06111	0.4
138.98949	0.7
140.42183	0.4
147.03018	0.7
149.02492	0.6
162.05554	0.6
180.90126	0.4
193.01407	1.8
205.03531	1.6
208.03777	1.7
220.23013	0.4
223.02777	1.9
223.04726	1.1
223.06429	26.8
223.13470	1.2
224.06786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.0
57.03453	17.5
59.01377	13.0
62.45890	1.4
68.99801	2.5
71.01387	19.5
71.54045	2.5
72.99302	14.7
73.01160	4.8
73.02946	6.0
74.99094	14.7
75.00882	6.7
78.95891	3.0
81.03452	4.0
83.01385	11.0
84.02184	4.5
85.02952	100.0
86.03284	2.7
87.00887	10.5
89.02445	11.5
96.96981	1.8
99.00885	5.3
101.02445	14.6
103.03988	3.7
104.04337	1.5
107.05011	2.2
108.93768	2.5
111.00884	50.9
112.98803	4.5
113.02446	1.6
119.05087	2.1
120.99679	7.5
125.02422	7.8
129.01939	39.9
131.03505	4.3
133.05139	1.5
135.01205	6.7
135.04863	46.0
136.99133	7.0
137.03563	3.1
141.88672	1.4
142.46399	1.6
143.03465	3.5
147.02939	9.1
149.04550	35.9
150.02338	2.3
161.04541	2.8
184.26628	1.5
187.02422	3.5
205.03511	41.0
205.05382	3.2
223.02768	2.4
223.04572	45.5
223.06461	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.7
57.03448	21.2
57.10572	1.1
59.01379	12.6
67.01913	1.5
68.99815	1.9
69.40221	9.8
71.01384	17.2
72.99316	13.8
73.01180	3.3
73.02950	3.7
73.62173	1.3
74.99097	19.8
75.00861	7.2
75.48768	1.2
81.03470	2.1
83.01392	12.0
84.02152	2.7
85.02956	100.0
86.82327	1.3
87.00892	5.8
89.02466	2.1
99.00876	3.7
101.02450	10.7
103.00410	1.6
103.04032	1.9
106.84091	1.3
111.00887	47.5
112.98825	4.1
120.02202	1.6
120.99693	3.1
125.02441	10.4
129.01944	41.9
135.01231	3.8
135.04866	12.4
135.32640	1.2
136.99141	11.4
143.03481	2.1
147.03000	8.8
149.04555	3.9
161.04544	2.8
166.73694	1.3
174.96718	1.2
187.02522	3.1
205.01596	2.5
205.03535	47.3
206.03757	1.3
223.02802	2.3
223.04596	52.5
223.06737	3.2
224.04990	2.5
240.89029	1.2
244.67065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11010	0.4
56.87148	0.4
58.02963	0.5
59.01382	1.4
60.01744	0.5
60.97520	1.4
61.98824	2.0
63.96244	4.6
70.57476	1.1
71.01387	1.2
72.99313	0.6
73.04078	0.6
74.02478	0.6
74.31905	0.4
74.99084	0.6
76.97027	2.3
78.95886	0.5
79.95750	3.9
80.96514	0.8
85.02968	2.5
85.37386	0.4
87.02740	14.0
98.19994	0.6
100.00446	0.5
101.02452	0.7
109.02909	0.5
111.00913	1.2
114.03834	100.0
115.04182	1.9
119.97125	0.9
129.01932	0.8
134.06145	0.9
134.99486	0.6
137.78596	0.5
149.02361	0.5
165.01929	0.6
180.06645	0.7
180.90048	0.6
193.01439	1.2
205.03659	0.8
208.03778	2.0
222.07770	0.7
222.09740	0.6
222.12241	0.7
223.02805	1.4
223.04665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0284
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
51.93316	0.1
59.01373	0.3
59.96722	0.8
61.98832	1.1
70.18480	0.6
70.82684	0.1
73.01150	0.1
74.99073	17.3
75.96206	0.8
75.99026	0.4
83.86746	0.1
85.02990	0.1
93.00136	7.2
119.08524	0.1
121.18321	0.2
124.98572	0.1
145.08740	0.1
149.00955	12.2
150.00984	0.5
150.98883	0.9
151.07581	0.1
152.96771	0.2
176.83636	0.8
193.01460	0.2
206.99690	5.3
207.99754	0.3
208.03809	0.4
223.02827	100.0
223.13327	0.8
224.02869	7.6
225.00766	0.3
241.03871	1.7
242.03896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1546
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
56.83335	0.1
59.01378	0.7
66.24741	0.1
70.52409	0.4
70.52741	0.3
97.85015	0.2
127.07617	0.7
148.05280	0.3
149.06015	0.4
151.07639	0.6
161.63774	0.2
164.08432	2.2
165.09068	0.3
196.07202	0.2
205.12320	1.7
206.12675	1.0
207.13927	1.0
220.14687	3.5
221.15453	100.0
222.15799	6.4
235.13458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0774
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
58.02980	16.5
59.01370	6.1
61.01802	1.6
61.98833	12.2
63.96235	2.5
69.20956	1.0
69.82596	5.4
71.01385	4.6
72.00912	7.0
72.99319	2.3
73.01181	1.5
74.02471	19.9
75.00860	3.7
79.95743	9.0
81.95325	3.5
86.02483	37.4
87.00891	5.8
88.04042	5.0
88.89964	1.0
89.04391	2.1
92.05059	9.3
98.19901	1.3
101.02445	1.6
101.36874	1.0
113.07230	1.8
116.05042	2.5
118.03368	18.3
118.98066	1.1
120.04568	2.9
127.08764	1.2
128.07236	1.4
129.01982	1.3
130.06651	7.8
131.03778	20.0
132.04562	48.7
133.04883	1.4
139.03983	1.3
144.04559	46.0
145.04961	3.2
146.04863	3.1
146.06129	2.0
147.08577	2.9
152.96889	1.6
154.96400	2.9
157.07722	100.0
158.06120	15.2
158.08105	4.6
171.07785	3.7
173.07211	2.6
173.09505	1.1
175.08835	2.0
184.04070	2.7
192.97481	1.5
195.27684	1.1
201.06721	6.8
202.05002	1.9
218.96289	1.6
219.03117	1.9
219.07782	46.1
219.10338	2.1
219.17540	64.2
219.97853	1.2
220.06490	4.3
220.08258	2.0
220.17912	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	220.065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
58.02979	97.1
59.01390	2.6
61.98836	7.7
68.27133	0.5
71.01389	0.8
71.36932	0.8
76.02264	1.1
85.02995	0.5
87.00882	0.5
101.02448	3.1
118.03333	100.0
119.03671	1.5
132.04900	1.9
148.08675	0.6
176.32774	0.5
177.04417	0.5
220.06471	26.5
220.17914	1.5
221.06752	0.9
221.11636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0666
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
58.02971	29.3
59.01380	100.0
59.03345	3.7
60.85276	3.2
62.78696	3.5
66.89027	3.4
66.89369	3.3
70.36227	12.4
71.01389	15.2
72.99319	5.6
73.02953	5.7
74.99087	5.7
81.08297	3.4
84.99292	3.1
85.02969	11.2
87.00903	9.0
101.02461	11.5
112.98816	17.8
113.02416	5.4
114.03845	9.1
115.02245	5.1
116.01762	5.2
118.03328	11.9
119.03657	9.6
120.02953	5.7
127.00335	5.0
133.03302	10.5
134.02740	4.1
139.00406	10.2
145.01698	3.3
150.94809	6.5
161.04622	6.7
204.68170	3.1
221.04703	8.4
221.06720	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	221.0932
Annotation	Phe-gly
Peak:m/z	Relative Intensity
56.43566	0.5
59.01379	9.8
61.98812	0.8
62.15011	0.5
69.43702	4.4
71.01385	2.3
72.00928	1.3
73.04074	100.0
75.00842	0.7
79.95741	1.7
81.95343	2.7
85.02944	1.4
85.04056	0.5
87.00883	1.2
87.30246	0.6
88.59106	0.5
89.02396	0.6
91.05549	2.2
97.02927	0.5
98.20683	1.2
101.02449	1.8
105.77786	0.5
113.02465	0.8
114.34154	0.5
117.04733	0.5
119.05011	0.6
135.04504	0.9
145.02969	1.1
147.04529	18.5
149.05992	0.6
154.96455	1.4
161.04572	0.6
164.07167	21.9
165.07484	0.7
177.05659	0.9
177.10358	2.9
179.10730	0.7
206.09563	1.1
221.06970	1.7
221.09323	44.0
221.11739	2.4
221.15308	1.0
222.09636	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	219.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	16.5
59.01370	6.1
61.01802	1.6
61.98833	12.2
63.96235	2.5
69.20956	1.0
69.82596	5.4
71.01385	4.6
72.00912	7.0
72.99319	2.3
73.01181	1.5
74.02471	19.9
75.00860	3.7
79.95743	9.0
81.95325	3.5
86.02483	37.4
87.00891	5.8
88.04042	5.0
88.89964	1.0
89.04391	2.1
92.05059	9.3
98.19901	1.3
101.02445	1.6
101.36874	1.0
113.07230	1.8
116.05042	2.5
118.03368	18.3
118.98066	1.1
120.04568	2.9
127.08764	1.2
128.07236	1.4
129.01982	1.3
130.06651	7.8
131.03778	20.0
132.04562	48.7
133.04883	1.4
139.03983	1.3
144.04559	46.0
145.04961	3.2
146.04863	3.1
146.06129	2.0
147.08577	2.9
152.96889	1.6
154.96400	2.9
157.07722	100.0
158.06120	15.2
158.08105	4.6
171.07785	3.7
173.07211	2.6
173.09505	1.1
175.08835	2.0
184.04070	2.7
192.97481	1.5
195.27684	1.1
201.06721	6.8
202.05002	1.9
218.96289	1.6
219.03117	1.9
219.07782	46.1
219.10338	2.1
219.17540	64.2
219.97853	1.2
220.06490	4.3
220.08258	2.0
220.17912	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	217.1193
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
57.03898	0.8
57.57341	0.7
58.98158	0.8
59.01382	21.4
69.78109	0.8
69.96220	4.1
70.99614	1.1
71.01387	1.4
71.05022	1.4
71.13255	0.8
73.01172	14.4
73.04070	13.7
74.40552	0.8
79.95741	85.0
80.96517	6.6
88.04044	7.2
89.00667	5.6
96.96030	0.9
98.20599	1.5
124.93773	0.8
130.08740	86.8
131.09094	1.9
141.10341	1.4
143.11893	22.0
146.08208	3.6
148.50754	0.9
152.96863	57.5
153.97240	1.1
155.11909	1.4
172.04379	1.0
174.99326	4.2
187.10880	100.0
188.11249	4.1
199.10933	2.1
207.95265	0.8
216.96741	1.5
217.00209	6.2
217.11943	38.6
218.04861	1.4
218.10321	1.3
218.12267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1034
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.55838	0.5
59.01379	2.3
59.58633	0.5
64.52634	0.4
69.89327	2.9
71.01386	10.2
71.05023	17.7
71.12003	0.5
72.04573	0.5
79.95740	9.3
81.95329	2.5
84.01701	0.5
88.04045	100.0
89.04386	0.9
92.92032	0.6
98.20750	0.6
99.04523	6.5
114.27361	0.6
116.03537	0.7
116.07169	2.8
129.05597	0.8
142.77170	0.6
146.08237	47.8
146.45926	0.5
147.08569	1.4
152.96881	2.3
153.97092	1.7
154.96448	1.6
218.10321	26.6
219.10626	0.7
219.17538	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	217.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07447	0.8
57.03449	2.0
59.01381	34.7
59.38564	0.7
60.97533	1.4
61.98832	6.0
63.96233	1.0
70.08359	1.6
70.08738	2.4
70.99609	11.9
71.01385	3.2
72.04000	0.8
72.97539	4.7
73.01172	20.1
73.02928	0.9
76.59250	0.7
79.95757	0.9
85.01151	0.7
85.02955	16.1
86.30679	0.7
89.02441	0.9
97.01186	1.9
97.02967	0.8
99.00916	1.0
99.04520	1.7
101.00673	58.4
102.01048	1.0
111.00949	0.9
111.04543	0.8
113.00700	2.8
114.86893	0.7
115.00374	1.1
116.92874	0.9
117.00179	6.4
123.00924	0.9
124.89142	7.5
125.00679	0.9
126.98642	0.8
127.04046	1.4
129.00177	1.6
132.98192	1.1
141.00192	2.5
142.98123	2.5
142.99840	1.0
144.00735	1.4
144.99667	9.3
156.99664	4.8
161.02354	0.9
168.99646	4.4
170.88722	1.9
174.99268	9.3
188.89453	6.4
202.02670	1.6
217.01790	100.0
217.08629	1.8
218.02074	4.5
218.04506	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	217.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85288	1.1
57.03444	2.1
59.01382	100.0
60.01723	1.5
61.98835	24.8
63.96246	1.3
70.08118	1.1
70.99605	11.3
71.01400	4.2
71.61404	1.2
72.97548	3.9
73.01176	19.1
73.01559	1.5
77.57580	0.9
85.02952	17.1
91.09181	0.9
96.96030	2.3
97.02970	1.3
99.00875	1.0
99.04571	1.5
99.54798	0.9
99.92591	1.2
100.52267	1.0
101.00669	54.1
101.89749	0.8
102.01026	1.0
104.78087	0.9
113.00683	1.5
113.85965	0.9
116.92896	4.2
117.00159	6.2
123.00962	1.2
124.89126	24.8
129.00220	2.7
132.98232	3.0
133.01418	0.9
142.98143	3.5
144.99687	8.4
145.03006	1.0
154.51234	0.8
156.99699	4.0
170.88730	7.5
174.03264	1.7
174.99254	26.9
175.96031	2.1
187.50049	0.9
188.89453	17.5
189.05646	1.2
189.11568	0.9
199.85124	4.9
216.16830	0.9
216.87984	2.4
217.00299	10.6
217.01863	99.1
217.12592	1.1
217.14468	1.0
218.02202	2.5
218.04530	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	217.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01382	94.2
60.01724	1.5
61.98829	13.5
66.42138	0.9
69.72042	4.7
70.99606	13.4
71.01405	2.7
72.97520	4.6
72.99329	1.9
73.01172	18.1
73.01559	1.4
73.02948	1.6
82.99613	0.8
85.02956	17.0
85.03445	1.1
89.02474	1.4
90.97127	1.0
96.26598	0.8
96.96053	2.0
97.02991	1.4
98.20556	1.1
99.00882	1.2
99.04502	1.4
99.92620	1.2
100.92583	0.9
101.00671	55.6
102.01002	1.2
116.92846	6.5
117.00172	4.9
118.96664	1.1
122.89489	0.8
124.89120	13.3
125.00700	1.0
126.24984	1.0
126.29664	0.8
126.98564	1.1
127.04060	0.8
129.00179	1.7
132.98232	1.9
133.01442	1.2
134.13263	0.7
141.37994	0.8
142.98135	3.4
144.99654	9.9
145.02995	0.8
156.99637	5.0
158.39815	0.8
170.88817	3.3
174.99251	26.2
187.64241	1.0
188.89426	7.0
199.85092	4.6
216.85468	3.7
216.87772	1.5
217.00327	9.5
217.01854	100.0
217.08789	1.8
217.87160	0.8
218.02249	4.6
218.04449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01379	8.7
59.77448	0.6
63.96244	1.1
69.03428	0.6
70.99606	14.9
71.01389	1.8
71.38755	0.9
72.97534	5.0
73.01172	16.4
82.36924	0.7
82.99606	0.9
84.58807	0.6
85.01196	0.7
85.02954	16.5
89.00638	0.6
97.02953	1.5
99.00858	0.9
99.04513	1.3
101.00668	52.5
101.12155	0.6
102.01019	0.9
117.00165	5.3
126.98629	0.6
127.04008	0.8
129.00150	2.2
139.03989	0.8
142.98100	2.5
144.99640	8.7
150.24765	0.6
156.99652	3.7
174.99281	0.9
189.99210	0.6
217.01752	100.0
218.02075	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	217.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60477	0.2
55.01880	0.4
55.14075	0.2
56.98032	0.2
57.03456	1.5
58.00586	0.3
59.01381	7.8
59.34752	0.2
60.97523	0.4
61.63155	0.2
61.98842	0.3
62.78410	0.2
63.96227	0.6
67.01889	0.3
69.03436	0.4
69.82927	1.0
70.99603	11.1
71.01389	1.7
71.05015	0.4
72.97534	5.0
72.99324	0.4
73.01173	19.6
73.02943	0.5
74.99110	0.3
82.75900	0.2
82.99611	1.1
83.05009	0.4
85.01199	0.3
85.02953	17.4
86.03316	0.3
86.99118	0.2
87.00895	0.3
87.02755	0.4
87.99928	0.4
89.00671	0.3
89.02441	0.5
94.49097	0.2
95.01425	0.3
97.02966	1.0
98.20635	0.2
98.99118	0.3
99.00867	1.0
99.04525	1.2
99.99928	0.4
101.00669	56.7
102.01025	1.0
111.04522	0.3
112.20302	0.2
113.00691	0.7
113.02457	0.4
115.00397	0.2
117.00163	5.2
122.25648	0.2
123.00874	0.3
124.89133	0.5
126.98597	0.5
127.04012	0.5
129.00171	1.7
141.40106	0.2
142.98085	2.7
144.99651	9.8
152.83070	0.2
156.99638	3.3
174.99216	0.8
217.01753	100.0
218.02060	4.3
238.84050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.0
59.01091	0.8
59.01376	10.7
60.26855	0.4
61.98819	0.9
63.96226	0.8
69.03465	0.5
69.27832	4.3
70.99606	13.8
71.01390	2.4
72.97540	4.6
72.99311	0.9
73.01174	19.0
73.02962	0.9
82.18900	0.5
82.99586	0.9
83.04990	0.4
85.02955	16.5
85.56106	0.5
87.99837	0.5
97.02954	0.9
98.00464	0.4
99.00900	0.8
99.04527	1.3
101.00669	54.6
102.01009	0.8
111.04529	0.6
113.00674	0.5
115.00420	0.5
117.00173	4.8
124.89115	1.4
127.04005	0.7
129.00171	2.8
142.98102	3.1
144.99657	8.8
145.01439	0.9
156.99669	3.8
164.77383	0.5
174.99225	1.8
204.43118	0.4
206.06599	0.4
217.01759	100.0
218.02104	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	217.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03447	1.7
59.01380	27.8
60.14598	0.4
60.48154	0.4
60.97546	0.4
61.98830	3.9
63.96264	0.6
67.01888	0.7
69.03429	0.6
69.88654	2.1
70.99601	11.6
71.01380	1.8
71.05007	0.5
72.97530	4.4
72.99287	1.0
73.01171	18.2
73.02947	0.6
82.99612	0.9
85.01232	0.5
85.02954	16.2
89.02451	1.3
91.29070	0.5
97.02937	0.9
99.00899	1.1
99.04519	1.1
101.00668	55.2
102.00989	0.7
111.04551	0.5
113.00691	0.9
113.02423	0.6
116.92883	0.9
117.00166	4.5
123.00917	0.9
124.89125	3.3
126.98582	1.0
127.04003	1.2
129.00195	2.1
132.98239	1.0
142.98105	3.4
144.00676	0.5
144.99661	8.3
145.01439	0.6
146.08290	0.5
156.99670	4.0
170.88736	1.4
174.99232	6.3
181.58496	0.5
188.89473	2.5
199.85068	0.7
216.88051	0.5
217.01778	100.0
218.02135	3.1
218.04390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96872	0.4
59.01379	100.0
60.01731	1.1
61.98828	11.4
66.63615	0.4
69.65845	2.7
90.97142	1.4
98.20578	0.9
101.00674	0.7
111.99226	0.5
118.96640	0.5
122.89431	1.5
124.89126	45.7
125.89180	0.7
132.98230	3.2
158.84721	0.6
170.88469	4.2
174.99248	26.9
188.89471	24.2
216.80276	0.7
216.87756	1.2
217.00278	24.4
218.04620	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	217.0174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03448	1.6
57.47947	0.3
59.01379	6.3
60.97553	0.4
63.96237	0.7
65.67041	0.3
69.03455	0.8
69.42744	2.8
70.99606	12.9
71.01383	1.9
72.97534	5.1
73.01171	17.7
73.02950	0.7
82.99598	1.1
83.00072	0.3
85.02953	16.3
87.02692	0.3
89.00671	0.5
89.02460	0.7
97.02951	1.5
99.00869	1.2
99.04533	1.5
101.00668	53.1
102.01011	0.9
107.48172	0.3
111.00899	0.4
111.04518	0.4
113.00653	0.8
115.00410	0.4
117.00159	5.6
123.00880	0.5
126.98598	0.6
127.04027	0.7
129.00148	2.5
139.03976	0.4
142.98102	2.3
144.99655	10.1
145.01442	0.7
145.99956	0.4
151.69037	0.3
156.99666	3.4
168.16225	0.3
217.01750	100.0
218.02055	3.6
232.29822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80454	0.3
55.01884	0.4
57.03446	1.1
59.01378	17.8
61.98829	2.2
63.96239	0.9
66.92319	0.3
67.01909	0.5
69.03444	0.6
69.96897	0.8
69.97308	1.0
70.99602	11.6
71.01387	2.1
71.70089	0.3
72.97535	5.0
72.99326	0.6
73.01172	18.2
73.02966	0.5
82.99622	1.2
83.05042	0.5
85.01189	0.4
85.02953	16.2
87.02749	0.3
87.99883	0.4
89.02454	0.7
89.89256	0.3
95.01399	0.3
97.02946	0.8
98.99133	0.4
99.00884	0.7
99.04510	1.4
101.00667	56.3
102.01038	1.0
113.00687	0.6
116.92872	0.7
117.00169	4.0
122.60181	0.3
123.00908	0.7
124.89108	2.3
126.98573	0.6
127.04047	0.7
129.00195	1.9
132.98160	0.4
138.11731	0.3
142.98082	2.5
144.99654	10.1
145.01375	0.6
156.99660	2.9
158.13589	0.3
170.88689	1.0
174.99234	2.9
175.96004	0.3
176.82593	0.3
188.89484	1.2
199.85100	0.5
217.01764	100.0
218.02065	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	216.1239
Annotation	O-propanoyl-carnitine
Peak:m/z	Relative Intensity
56.56243	0.6
57.03450	3.3
61.35930	0.7
72.04548	10.1
79.95734	4.5
83.01404	1.6
85.02954	12.7
94.00050	0.7
96.11944	0.6
96.99339	0.7
98.20613	1.6
101.02441	3.4
129.01950	9.2
137.66452	0.5
140.10834	2.9
142.12378	83.8
143.12730	3.9
154.12354	3.2
168.10315	17.7
170.11865	99.0
171.12218	4.2
192.96832	0.6
198.11366	12.0
216.12398	100.0
217.01723	0.8
217.12608	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	216.9668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
60.45461	0.3
63.96246	0.5
70.89429	0.9
73.01170	11.1
73.03784	0.3
78.98607	0.8
79.95737	100.0
80.33547	0.3
80.96078	0.4
80.96523	5.1
89.00668	4.3
96.35410	0.3
147.61867	0.4
152.96857	47.2
153.97107	0.7
161.30583	0.3
173.99005	0.4
174.99251	0.8
179.61646	0.4
216.96680	3.7
217.00247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01709	0.8
70.98450	0.5
70.98793	0.8
90.97136	1.6
113.74132	0.4
118.96667	0.6
132.98195	2.7
135.17197	0.5
150.59810	0.4
156.99864	0.8
174.99243	28.1
197.45033	0.5
217.00296	24.3
218.00543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1401
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
58.02972	1.5
58.65397	0.7
66.07658	0.6
68.71268	0.6
72.00913	4.3
74.02480	9.7
80.78864	0.6
82.02991	9.2
84.04552	20.0
84.87147	0.7
85.04861	0.6
86.02476	4.0
97.09013	0.7
98.02476	1.1
114.09250	0.9
115.44991	0.6
116.03520	0.8
118.73694	0.6
128.03549	16.2
128.10797	3.9
129.03889	0.8
140.10791	1.3
141.10349	6.2
142.12390	1.8
144.00923	1.3
154.12372	2.0
167.11908	4.4
169.13493	8.0
171.15047	10.6
179.77898	0.6
183.01305	0.6
195.11389	1.9
197.12950	64.7
198.13268	3.2
215.01004	11.4
215.13998	100.0
216.14342	4.3
230.36240	0.8
230.38297	0.7
233.37015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04038	0.8
57.03453	1.0
59.01380	2.0
61.98824	3.2
63.95369	0.6
69.03456	0.9
71.61069	1.4
81.03492	0.8
84.78376	0.7
97.02969	1.1
120.89906	2.8
125.02394	0.9
151.11293	14.2
151.34030	0.8
153.01942	1.2
166.89140	0.7
169.12341	100.0
170.12694	3.6
181.03317	0.7
184.90248	1.9
194.99393	1.4
195.10130	1.1
197.99329	1.1
213.03514	0.9
213.05675	1.4
213.11320	19.5
213.14778	5.9
213.18582	2.6
214.11919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.18611	0.3
54.14273	0.2
59.01360	0.6
61.98831	0.2
70.63357	0.2
71.16843	0.4
72.90925	0.3
81.55003	0.3
89.22182	0.3
102.63396	0.2
183.13905	28.4
184.14209	1.5
195.13911	24.6
196.14183	1.3
211.13306	0.6
213.14960	100.0
214.15285	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	214.1084
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
55.01880	1.2
56.35895	0.4
56.76485	0.5
57.03442	2.8
57.30260	0.4
57.34922	0.4
59.10409	0.5
63.57438	0.5
63.57837	0.5
71.01383	0.5
71.05022	0.6
72.04552	15.0
81.39790	0.6
83.01411	1.0
93.21902	0.5
114.00253	0.6
122.89417	1.4
124.11299	0.6
130.23341	0.5
140.10822	5.3
142.12376	100.0
143.12727	3.7
144.00879	1.0
148.39359	0.6
168.10298	34.9
169.10629	1.4
170.11867	40.9
171.12231	1.4
178.34085	0.5
214.10844	29.2
215.00970	7.7
215.09264	0.6
215.11194	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	215.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47793	1.0
55.89840	1.0
58.36344	1.2
59.01379	3.8
61.88076	1.0
61.98526	1.1
61.98828	15.6
63.46943	1.0
68.59722	1.0
70.04191	3.5
71.01371	3.0
74.02476	1.4
75.00871	1.1
83.01372	1.2
83.05040	2.7
85.02993	1.2
87.00895	1.3
87.04525	3.0
89.02437	2.1
90.39809	1.1
93.03437	1.1
97.26557	0.9
99.00887	2.9
99.04537	1.1
99.92580	2.6
111.04517	2.4
115.00383	1.6
115.04008	29.0
122.89430	96.6
123.89488	1.9
124.86133	1.0
127.04004	1.6
137.07187	1.6
144.00919	13.8
145.01418	4.1
153.03822	1.6
153.12891	2.6
153.99261	1.1
155.03516	9.9
157.98630	1.4
161.69261	1.1
168.88684	3.1
169.01495	1.5
171.02025	2.5
172.00462	1.7
173.96458	1.6
181.98637	3.2
186.89766	57.0
197.01093	1.4
197.11824	1.9
214.88097	2.0
215.00989	100.0
215.05388	2.9
215.07190	3.2
215.12785	8.8
215.16417	2.0
216.01308	4.3
216.06593	1.2
217.66367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
53.83492	0.4
57.03450	0.6
59.01378	0.8
61.98829	1.3
64.63260	0.4
69.03416	0.5
69.46431	2.7
73.01202	0.6
81.03450	0.6
93.03489	0.4
97.02931	1.1
97.06581	1.2
120.89891	1.3
125.09713	0.5
125.36210	0.5
126.39644	0.4
126.89045	0.4
151.11292	13.2
169.12338	100.0
170.12662	3.8
184.90234	0.7
189.10652	0.4
195.10234	1.2
195.13850	0.5
197.99156	0.7
213.01526	0.6
213.07765	0.6
213.11319	14.8
213.14810	3.3
213.18578	1.5
214.11623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01366	1.0
61.98828	3.6
69.03452	0.7
69.39622	0.7
69.40032	3.4
83.05012	0.6
95.01366	0.8
99.16289	0.4
107.72290	0.4
123.00859	0.6
155.10808	0.6
165.12811	1.0
167.10783	0.9
167.14398	1.7
183.13899	17.0
184.14195	0.6
189.74138	0.4
193.12318	3.4
210.95012	0.8
211.13388	100.0
212.13719	4.7
215.24228	0.5
233.56459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.01870	2.1
57.03435	1.8
57.89510	1.1
59.01377	5.2
61.98833	11.8
69.03463	8.7
70.81696	3.7
71.01401	2.1
71.05022	100.0
71.78379	1.1
80.46482	1.2
81.03468	1.3
87.00875	2.6
87.04514	3.5
93.03428	1.6
97.02953	13.9
97.06586	9.4
99.08147	2.2
114.90065	1.3
115.04018	20.6
115.07642	15.9
120.89880	2.7
121.89748	2.0
123.08156	2.2
125.03110	9.5
125.09718	5.8
126.06840	1.4
127.11292	54.0
132.61185	1.6
141.09210	3.6
151.11247	9.3
153.02547	3.0
169.12338	98.6
170.12698	5.0
177.90274	2.1
183.13950	3.0
184.66765	1.3
184.90186	2.1
194.99286	1.8
195.10257	1.9
195.13797	2.5
197.99191	2.2
213.05530	1.5
213.07693	1.2
213.11353	27.5
213.14926	23.5
213.18582	4.9
214.15289	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	211.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.0
61.98817	3.0
63.96235	1.5
65.95799	1.0
70.99590	2.2
71.01382	4.1
72.99300	1.7
73.01145	2.1
73.98290	1.4
77.84200	1.0
78.95467	1.4
78.95905	23.1
79.95737	100.0
80.05040	1.4
80.96514	21.6
81.03442	1.1
85.02946	0.9
86.99084	1.4
87.02819	0.9
89.00669	14.8
93.97322	1.5
94.98050	1.6
95.93464	13.4
96.94228	8.2
96.96042	2.4
96.96945	4.8
108.02155	1.5
108.04575	1.1
108.97845	1.1
111.02724	1.3
120.96982	2.5
120.99616	1.6
122.97581	11.6
123.01147	1.7
124.04025	1.8
124.93693	3.5
129.03819	3.6
136.97331	3.4
136.99155	1.2
137.02431	2.3
138.69623	1.0
142.99823	2.6
149.99928	6.4
150.97002	1.3
151.02173	1.3
153.05568	1.6
163.04028	1.5
164.07152	2.1
166.98424	41.8
167.10587	1.5
181.01360	2.6
181.04918	1.8
193.01649	1.1
196.03720	3.7
197.00067	2.6
211.00876	39.8
211.04277	2.3
211.06081	2.9
211.13338	3.2
212.09256	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	211.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50639	0.3
59.01384	0.3
60.95967	0.3
65.00320	1.1
69.46191	0.6
69.46595	1.8
81.03487	0.4
95.01368	0.6
97.02950	6.0
109.02933	0.3
121.02959	0.5
123.08208	0.5
125.04374	0.4
125.09702	1.1
137.02440	1.8
147.84468	0.4
151.07668	0.6
153.01935	33.3
154.02243	0.8
167.03551	0.6
181.01422	100.0
182.01793	3.7
195.03011	1.4
196.03763	95.8
197.04086	3.9
211.06120	23.3
211.09695	1.4
211.13344	0.4
212.06485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
57.81502	0.4
59.01365	1.5
61.08480	0.4
61.98831	6.3
67.31902	0.4
69.03442	1.2
70.73953	0.7
70.74291	0.9
78.95911	0.5
83.05001	0.8
93.03448	0.5
95.01414	0.9
95.93440	0.7
121.02937	0.9
121.92256	0.4
123.00919	0.8
124.04025	0.5
125.04377	0.5
137.02510	0.5
137.09706	0.5
140.72627	0.5
165.12825	0.6
166.93890	0.4
167.10753	2.1
167.14415	1.9
181.01431	0.7
183.13901	15.1
183.15570	0.8
184.14204	0.7
193.01358	0.5
193.12334	4.0
196.03772	0.7
210.94943	0.9
211.13380	100.0
212.13716	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	210.9926
Annotation	2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole
Peak:m/z	Relative Intensity
63.96237	0.3
69.90450	1.2
73.01172	17.4
75.97251	0.3
79.95737	1.9
95.93456	100.0
96.93362	0.5
96.94227	0.6
104.32603	0.2
153.05534	0.3
210.99268	12.7
211.13388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.0
61.98817	3.0
63.96235	1.5
65.95799	1.0
70.99590	2.2
71.01382	4.1
72.99300	1.7
73.01145	2.1
73.98290	1.4
77.84200	1.0
78.95467	1.4
78.95905	23.1
79.95737	100.0
80.05040	1.4
80.96514	21.6
81.03442	1.1
85.02946	0.9
86.99084	1.4
87.02819	0.9
89.00669	14.8
93.97322	1.5
94.98050	1.6
95.93464	13.4
96.94228	8.2
96.96042	2.4
96.96945	4.8
108.02155	1.5
108.04575	1.1
108.97845	1.1
111.02724	1.3
120.96982	2.5
120.99616	1.6
122.97581	11.6
123.01147	1.7
124.04025	1.8
124.93693	3.5
129.03819	3.6
136.97331	3.4
136.99155	1.2
137.02431	2.3
138.69623	1.0
142.99823	2.6
149.99928	6.4
150.97002	1.3
151.02173	1.3
153.05568	1.6
163.04028	1.5
164.07152	2.1
166.98424	41.8
167.10587	1.5
181.01360	2.6
181.04918	1.8
193.01649	1.1
196.03720	3.7
197.00067	2.6
211.00876	39.8
211.04277	2.3
211.06081	2.9
211.13338	3.2
212.09256	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	209.0666
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
55.01876	5.7
57.03182	2.0
57.03450	28.0
59.01380	24.1
60.78802	1.2
63.96227	2.8
68.62338	1.3
68.99805	1.9
69.39722	9.1
69.40135	1.9
71.01390	11.2
73.02958	4.8
83.01390	6.3
84.02171	9.8
85.02954	79.8
87.00874	30.1
89.01246	1.4
89.02443	4.7
92.09523	1.2
97.02939	3.5
99.00891	5.5
101.02441	4.8
103.03984	1.6
107.01715	3.5
111.00883	9.7
112.98839	2.4
122.99245	2.3
125.91304	1.5
129.01941	50.1
141.01956	6.2
142.99863	5.3
159.02989	10.4
173.00839	1.3
194.82602	1.5
209.06662	100.0
210.07019	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.47415	0.4
57.03439	3.2
58.54477	0.4
59.01380	100.0
60.01726	1.4
61.98830	0.6
69.96979	2.4
80.02684	0.7
81.03460	2.0
97.06590	3.2
98.19929	0.5
109.06590	3.9
110.36604	0.4
121.02960	6.4
163.11369	0.5
165.12845	6.0
209.04547	0.7
209.11821	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
52.68030	0.5
59.01376	4.6
61.98830	27.1
65.00333	1.1
70.40584	1.5
80.23655	0.5
91.01904	1.6
91.92099	0.6
92.99820	1.1
93.03461	2.9
94.02991	1.9
95.01379	1.0
96.96019	0.9
98.19984	0.8
103.42748	0.6
109.02968	1.0
118.94242	1.5
120.02178	1.4
121.02962	100.0
122.03307	2.4
124.04047	5.0
136.00601	0.6
136.01665	1.6
137.02464	1.5
137.06123	0.8
164.94116	0.9
164.98303	1.0
165.05521	0.6
165.12799	0.9
178.99736	0.5
179.03491	0.8
181.05078	1.0
194.02248	1.3
194.05838	1.1
208.93303	0.6
209.04590	11.3
209.11829	87.7
209.15378	4.9
209.94902	8.4
210.12157	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70764	0.1
59.01382	0.5
61.98830	100.0
62.98536	0.3
65.52695	0.1
65.82954	0.1
71.17552	0.2
74.84055	0.1
78.95911	0.2
79.06115	0.1
85.75195	0.1
91.92135	0.2
94.02992	0.4
119.34711	0.1
119.35709	0.1
123.00800	0.1
124.04038	1.1
145.47147	0.1
159.21280	0.1
163.95604	0.2
164.96414	0.5
166.91087	0.3
173.95276	0.1
174.87508	0.1
209.94893	28.9
210.94930	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	210.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11240	0.2
61.98810	0.2
63.96240	0.7
68.77618	0.2
71.61137	0.3
73.01170	19.9
73.72251	0.2
74.01500	0.3
79.95746	2.0
95.01379	0.4
95.93456	100.0
96.93404	0.5
96.94223	0.5
111.00909	0.2
123.04439	0.3
125.03050	10.0
130.99577	0.2
138.03841	0.8
138.73659	0.2
159.37282	0.2
164.98286	0.9
175.43629	0.2
193.05040	0.3
196.03670	0.5
210.99255	13.5
211.06100	0.4
211.09764	0.5
211.13362	1.1
211.99573	0.6
216.22556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0663
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
55.98669	0.2
58.25558	0.2
59.01382	1.4
61.98841	1.1
69.33483	1.5
69.33902	0.6
71.57435	0.3
72.86731	0.2
76.95240	0.2
77.03992	0.3
79.95728	0.2
85.90136	0.2
91.01891	0.3
95.05025	0.7
98.20686	0.4
100.97015	0.4
101.49200	0.2
105.03468	4.6
119.01420	0.2
121.02930	0.3
123.04556	0.7
133.02963	36.3
134.03262	1.3
135.00905	0.3
148.05409	0.2
149.02460	2.6
151.03973	0.3
163.00360	0.4
164.04799	3.4
164.89523	0.4
171.24477	0.3
177.01939	13.1
178.02217	0.6
190.99911	0.2
192.00774	2.3
192.04288	100.0
193.04625	4.5
207.03026	0.8
207.06618	18.1
207.13873	1.6
208.06880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Aporpinone A
Peak:m/z	Relative Intensity
55.43280	2.0
57.19676	2.0
59.01384	5.4
71.60357	2.1
73.12028	2.5
91.01862	2.4
103.05538	12.6
105.07050	2.6
108.02155	3.6
111.86478	2.1
115.05531	3.3
118.04258	3.5
119.05041	35.6
121.02969	8.1
131.05045	14.8
133.02945	3.4
133.06596	99.5
134.03732	7.2
134.06953	3.2
147.04510	9.0
148.05237	4.1
150.79945	2.2
163.07639	28.5
175.05121	2.2
177.02003	3.7
177.05560	65.3
178.05798	2.7
185.73810	2.1
192.00629	4.7
192.04303	9.5
207.06630	100.0
208.06995	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01218	0.9
57.03456	4.6
59.01373	5.3
71.05007	1.4
73.27580	1.0
79.95766	1.3
81.07099	1.0
83.05020	4.7
91.01875	1.4
93.03461	2.0
95.08706	1.0
98.19849	2.4
105.07083	1.4
107.05013	2.4
121.06588	4.0
123.08170	17.1
133.02940	1.2
134.03719	1.1
135.04462	1.5
137.02466	1.0
137.09721	19.7
149.02371	2.7
149.09648	1.3
155.08670	3.6
163.00356	1.5
163.04022	2.5
163.11337	7.0
168.12407	1.3
169.54274	1.1
171.11792	8.9
173.09705	9.0
177.01952	6.8
189.12846	100.0
190.13177	4.4
192.00702	5.9
192.02582	1.2
192.04277	8.8
207.01164	2.1
207.02977	3.1
207.06584	4.3
207.10254	2.7
207.13898	29.2
229.38452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01373	2.3
63.96243	2.7
70.98353	1.7
71.01379	1.1
71.60407	1.0
71.99138	4.9
73.01173	100.0
74.00703	13.6
74.01109	0.6
74.01512	1.3
75.02744	1.0
79.95730	4.0
85.02961	2.2
90.00199	2.5
93.03452	1.0
94.03016	0.6
94.98384	0.6
95.54578	0.7
101.04305	3.2
105.97947	0.6
109.02928	0.7
111.00882	0.8
119.05335	1.4
120.05698	2.5
121.02959	7.4
121.04954	1.1
122.02515	0.7
129.01944	1.0
134.06113	1.2
137.02402	0.7
137.54588	0.6
145.03238	0.9
146.06110	2.0
165.05609	0.8
171.81903	0.6
178.05113	4.1
179.03625	0.7
191.45914	0.7
193.01295	0.8
208.01103	6.9
208.02953	0.9
208.06253	1.8
208.99327	1.5
209.04565	2.4
209.06445	1.0
209.09827	1.2
223.35187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	2,4-Diacetylphloroglucinol
Peak:m/z	Relative Intensity
55.01864	0.9
57.03446	2.0
59.01376	3.4
60.31350	0.6
65.00327	1.3
67.01881	2.4
68.99818	1.4
69.03457	3.2
69.81013	3.0
71.01363	1.2
71.05012	1.2
79.01896	1.4
80.02672	1.9
81.03458	25.4
83.01389	18.6
85.02973	2.6
93.03474	5.7
94.02992	1.2
95.05027	51.5
95.08003	0.5
96.05366	1.6
97.02955	8.2
97.06577	1.0
99.04528	11.5
101.04312	1.1
105.03436	1.4
105.56043	0.6
107.01411	1.4
108.02169	1.7
109.01669	0.6
109.02959	1.8
109.06604	1.9
114.21206	0.5
119.05053	1.3
121.02957	34.3
121.06569	0.9
122.03747	11.6
123.00903	1.0
123.04531	23.9
124.04021	1.8
124.04825	1.1
125.02448	34.6
126.02808	1.1
129.01927	1.3
135.04527	1.6
137.02521	1.0
137.06087	49.9
138.03149	0.7
138.06424	2.0
139.04015	10.7
141.05600	3.5
147.04532	2.3
149.02441	1.3
150.03223	0.9
151.00368	0.9
153.05635	0.5
161.02443	0.6
163.04021	1.0
165.01988	2.6
165.05566	12.7
166.02655	0.8
167.03491	60.5
168.03835	1.7
179.03473	1.1
181.05061	6.4
191.03526	1.1
193.01353	1.2
194.02119	0.9
194.05930	0.6
209.04550	100.0
209.11873	1.4
210.04889	4.8
223.86317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
68.85789	0.3
69.33171	2.7
91.32439	0.3
141.41643	0.3
167.31197	0.3
173.00517	0.3
189.12869	1.5
194.62642	0.3
205.15956	100.0
205.53922	0.4
206.16287	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	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55262	0.1
59.01370	0.2
61.98830	100.0
62.98537	0.2
66.66140	0.1
71.11423	0.2
82.03567	0.1
117.36250	0.1
162.98453	1.1
163.98584	0.1
164.96373	0.2
177.01959	0.4
192.00670	0.4
192.04286	0.5
206.97446	6.5
207.06665	0.2
207.10411	0.2
207.97572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
70.28381	1.3
70.28724	0.4
70.91506	0.3
72.20597	0.3
87.00887	1.4
112.68186	0.3
115.52321	0.3
119.01733	13.4
120.99658	100.0
121.99966	1.1
177.01917	1.0
192.00645	1.2
192.04303	1.3
207.03337	4.4
207.06671	0.7
207.10422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94420	0.3
54.34295	0.3
57.93687	0.3
58.02969	0.3
59.01382	0.7
63.85365	0.3
63.94490	0.3
65.00320	0.6
66.82784	0.3
69.89426	1.3
71.01395	1.1
72.98241	0.3
72.99322	0.5
73.02927	0.3
75.00872	0.3
75.02374	0.3
75.24716	0.3
78.96832	0.7
79.93965	1.6
79.95739	18.2
80.96532	0.3
91.01898	8.5
93.03454	2.6
101.99494	0.3
103.01920	0.8
105.34777	0.3
112.93747	2.7
115.00376	0.8
119.01388	27.6
120.01724	0.6
121.02921	0.6
124.95614	1.2
125.02477	0.4
133.02948	0.4
140.95058	0.4
142.99765	0.3
143.90147	4.2
147.00879	12.6
161.02435	0.9
161.06096	0.5
162.03171	0.9
162.89278	0.6
164.07184	0.3
165.01927	3.6
166.45334	0.2
175.00362	54.7
176.00702	2.2
177.12788	0.3
187.11134	0.3
189.01930	1.7
190.02713	100.0
191.03053	4.4
192.00909	0.3
204.91251	1.5
205.05049	22.3
205.12329	1.2
205.15970	2.2
206.05412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.1
56.83183	2.0
57.03451	4.2
58.00583	5.8
58.02966	3.7
59.01382	84.6
60.99310	2.6
67.01881	3.4
68.99820	12.9
71.01385	95.0
72.99313	41.3
73.02963	11.0
73.56555	1.9
75.00877	37.6
78.93504	2.1
83.01389	14.4
84.99297	3.0
85.02943	11.1
87.00880	50.2
87.01414	2.8
89.02450	8.6
96.99309	9.2
98.00100	3.0
98.06113	2.8
99.00886	46.3
100.98846	2.3
101.02425	8.1
103.00382	7.4
111.00896	20.4
112.98819	40.0
115.00375	100.0
117.01943	12.6
118.81751	2.4
119.01765	10.8
120.01234	11.4
124.98798	18.5
127.00380	14.7
129.01106	2.8
129.01949	16.3
142.99863	26.3
145.01431	18.7
154.99869	14.9
156.33102	2.1
157.01434	2.7
159.03188	2.2
159.74651	2.0
173.00917	7.1
175.02444	6.3
204.59216	2.2
205.03523	7.1
205.09099	9.1
205.15970	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	205.0352
Annotation	Homoisocitrate
Peak:m/z	Relative Intensity
50.12554	0.3
55.01880	3.3
57.03452	0.9
59.01379	2.0
60.61074	0.3
67.01891	0.5
69.03452	6.4
71.01382	4.9
71.61400	0.5
72.99308	38.5
73.02945	0.6
75.00871	15.1
77.88364	0.3
81.03458	41.8
82.03799	0.9
85.02949	7.8
87.00880	4.3
88.04092	0.3
95.01398	0.4
97.02934	2.6
99.00884	29.0
99.04537	0.6
100.01228	0.6
101.02437	0.6
113.02452	11.9
113.45533	0.3
115.00411	1.1
115.04030	1.1
117.01936	5.2
121.06564	0.6
125.02447	100.0
126.02790	3.2
129.01939	0.7
131.03502	6.2
133.02937	0.5
142.99925	0.4
143.03502	10.4
147.04524	0.5
159.02914	0.4
161.02467	0.6
161.04567	3.8
161.09727	0.5
162.89340	0.8
163.11301	1.2
169.01430	3.2
175.11304	1.2
177.04080	0.4
190.09978	0.4
205.03528	53.8
205.12273	3.4
205.15936	3.1
206.03925	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	205.0353
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
55.01882	10.7
56.52940	2.1
57.03435	5.2
57.91039	2.1
58.00581	3.2
58.02972	6.1
59.01095	4.1
59.01382	74.3
67.01880	3.0
68.99821	15.7
69.40162	4.4
69.40571	13.6
71.01386	94.5
71.05039	3.0
72.98885	2.1
72.99307	51.6
73.02959	15.2
75.00875	40.9
81.03459	5.5
83.01382	15.7
85.02953	7.2
87.00874	60.4
89.02441	7.0
96.99300	7.9
98.00082	2.4
98.20600	3.4
99.00877	47.2
99.04479	4.6
100.04073	2.5
101.02445	11.3
103.00367	9.5
105.25580	1.9
107.95986	1.9
111.00881	47.8
112.98813	30.1
113.02441	2.3
113.49339	2.0
115.00376	100.0
115.04018	2.5
117.01898	13.1
118.03281	6.8
119.01691	2.3
120.01346	2.1
124.98824	15.6
125.02438	22.7
127.00321	13.4
129.01921	12.9
142.99852	25.0
143.03468	4.9
145.01451	20.1
145.02539	3.2
154.99890	16.6
157.01353	3.2
159.02832	2.3
173.00911	6.3
175.02477	9.5
205.01709	3.4
205.03479	15.8
205.09001	6.1
206.04846	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	204.0877
Annotation	N-Acetyl-L-rhamnosamine
Peak:m/z	Relative Intensity
55.06914	0.4
57.03450	3.4
58.02978	16.4
59.01383	3.9
63.66031	0.4
68.91010	0.5
68.99826	0.5
69.03465	2.3
69.99491	0.4
70.02978	0.6
70.67744	1.3
71.01382	6.8
71.05051	0.4
72.04557	2.7
72.99314	4.9
73.02954	0.5
74.02496	0.6
75.00868	2.9
81.03465	0.9
82.02995	0.7
82.06612	0.5
83.01391	1.4
84.04549	4.5
85.02953	16.7
86.06125	1.4
86.25195	0.4
87.00876	3.7
96.04565	0.8
96.99344	0.7
97.02968	1.0
98.02477	1.9
98.06120	7.2
99.00888	1.6
100.04048	17.8
100.07672	1.5
101.02451	0.6
103.00423	0.6
104.92794	0.6
108.04544	3.5
109.02944	0.5
110.06094	2.4
111.00889	1.9
112.07703	0.9
112.98778	0.7
114.05623	2.9
114.09245	3.4
115.00373	5.1
116.05445	0.6
116.07186	19.1
117.01971	0.9
124.04015	0.7
124.07677	4.9
124.98844	0.5
125.02451	2.0
128.07164	3.1
129.01971	0.9
130.08736	0.9
138.05597	5.0
140.07181	25.1
141.07498	0.5
142.08734	1.3
142.99808	1.5
144.06665	2.0
145.01416	1.0
154.99879	0.8
158.08229	46.8
159.08534	0.9
160.06166	0.4
162.07742	4.9
168.06683	3.8
175.02516	0.8
186.07722	17.3
187.08148	0.7
199.54297	0.4
202.07222	2.6
204.08768	100.0
205.03406	0.5
205.09084	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1496
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
52.99569	0.4
59.01379	15.8
61.98838	2.1
64.08379	0.3
69.03452	0.4
70.99604	0.5
71.01396	0.5
71.37672	0.5
73.01171	1.2
73.02946	0.4
85.02933	0.4
87.04492	0.6
92.71237	0.4
93.31675	0.4
98.19917	0.4
99.92592	4.6
110.36651	0.4
111.04547	0.3
111.08156	0.4
113.00709	0.6
116.92868	2.7
117.01939	0.8
125.09709	0.9
137.02443	0.4
139.11296	1.3
140.29518	0.4
141.00200	2.1
141.01947	0.9
141.93658	4.2
155.14433	6.0
155.88687	0.5
157.03656	0.7
158.89328	1.9
159.89420	2.4
163.83974	0.6
164.83615	5.4
165.83797	0.4
166.83344	1.3
173.02449	0.5
183.10484	0.5
183.13881	2.8
199.13339	0.9
200.90456	0.5
200.98682	0.5
201.02351	1.4
201.04074	0.8
201.05663	0.9
201.11432	2.7
201.14964	100.0
201.80212	2.1
202.15294	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	203.0827
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
54.20390	0.6
69.43172	5.7
72.00907	23.2
74.02475	33.8
103.61652	0.7
116.05065	100.0
117.05399	3.6
130.06604	3.4
132.05891	0.6
132.08136	0.9
142.06619	28.4
143.06964	1.3
157.07698	0.9
159.09274	19.7
161.04871	0.9
186.05548	3.7
195.01599	0.6
203.08261	62.9
204.08539	3.0
214.50671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08426	0.1
59.01381	4.2
60.01710	2.1
61.01807	0.7
61.98831	100.0
62.02126	0.1
62.05876	0.1
62.98553	0.1
68.97992	0.1
71.01414	0.1
71.08755	0.1
71.09126	0.2
74.25368	0.1
78.56744	0.1
85.50359	0.1
91.07045	0.1
102.58031	0.1
108.19638	0.1
160.03709	0.2
197.08514	0.1
204.00047	0.6
204.02647	0.7
205.12376	0.1
205.15996	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	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41755	0.4
55.58809	0.4
57.03447	7.6
58.02996	0.5
59.01381	100.0
60.01733	0.7
60.97535	0.8
61.98841	0.8
63.96244	3.6
66.03513	0.5
69.03461	0.5
71.01389	1.7
71.59792	0.4
71.60160	0.6
72.04562	1.0
73.01176	0.7
73.02950	0.7
78.95916	0.7
79.95738	1.9
80.96535	2.2
82.06622	1.6
83.05038	0.7
84.04557	0.4
85.02962	1.4
85.06604	0.9
86.02494	3.4
87.00877	3.0
88.04045	35.6
89.00672	8.0
95.05048	1.6
95.93456	2.2
96.04588	0.6
96.32366	0.4
96.96017	0.9
98.02481	0.9
99.00869	1.3
99.05645	0.7
99.92645	0.5
105.00159	0.7
106.98097	0.8
110.97607	1.6
111.04512	0.4
112.07677	0.5
113.02478	0.6
113.06101	1.2
115.08790	1.4
120.99672	0.6
121.03305	0.8
121.06574	0.5
122.95834	0.6
129.10358	1.9
130.08789	1.3
136.97383	2.7
139.04013	1.7
139.11264	0.8
140.10823	2.5
141.01906	0.7
157.03503	3.6
157.05086	1.9
157.13455	8.7
158.03801	0.5
158.06151	0.7
158.99873	0.4
159.00206	0.5
159.01498	3.5
172.97667	0.8
175.02708	1.0
176.00526	0.6
200.97267	0.7
200.99026	4.1
201.00912	0.7
201.02518	11.2
201.03975	1.1
201.05728	1.1
201.12473	28.2
202.02795	0.4
202.07230	0.5
202.12776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40862	0.3
59.01380	100.0
60.01715	0.8
69.93830	1.0
87.28533	0.3
106.72398	0.3
113.04559	0.4
115.02528	0.3
123.62415	0.3
138.08005	0.3
157.03564	5.8
158.03645	0.4
159.01512	2.5
201.02550	11.4
202.02751	0.7
217.32359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
55.01875	0.6
55.70848	0.4
57.03452	0.5
59.01374	1.7
59.14682	0.4
61.98834	3.1
67.01901	0.7
69.53097	1.6
69.53504	1.4
71.01391	0.6
73.68993	0.4
76.12540	0.4
83.01389	1.0
83.05054	0.9
88.30791	0.4
92.99824	1.2
93.03506	0.4
98.19839	0.6
99.00890	3.6
99.08163	2.1
99.92606	0.5
109.02966	0.5
111.00868	2.1
111.04514	0.5
111.08167	0.6
115.92083	0.4
125.09670	0.5
127.00368	1.5
132.35619	0.4
134.70865	0.5
137.09708	0.7
155.10811	2.3
156.89513	2.1
161.84225	0.6
162.83900	13.2
163.11282	1.1
163.83946	1.1
164.83609	11.4
169.12338	6.5
181.01360	0.9
181.12337	20.9
182.12691	0.7
197.11877	1.9
198.80782	0.9
198.98793	0.6
199.13393	100.0
199.17033	7.7
199.80496	10.3
200.13756	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	200.9718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
67.14719	0.4
71.01390	0.7
78.36835	0.5
78.96835	0.5
79.95739	100.0
80.96518	62.5
85.02986	0.6
87.04513	0.9
89.00665	2.3
106.98093	74.1
108.96020	0.8
111.08134	0.9
120.99656	15.1
122.00453	3.1
127.04146	0.5
136.99104	1.7
139.07695	0.8
139.11247	0.4
141.01932	1.1
152.96841	2.4
153.99420	24.2
154.98433	9.4
157.08745	0.8
158.06137	0.9
158.89331	0.6
169.01398	0.6
174.03180	0.5
185.93146	1.0
185.93565	0.6
185.94847	30.6
200.97206	50.6
201.05684	1.0
201.07675	0.8
201.11279	2.3
201.97404	1.0
202.05194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.37064	0.2
61.98835	0.5
71.26334	0.4
96.24930	0.2
103.92014	0.3
109.06593	4.8
111.08144	3.4
122.03727	0.7
123.08129	0.2
125.09716	0.8
135.11819	0.4
138.06844	0.7
150.03191	0.3
151.11266	0.7
156.64302	0.2
160.84218	5.0
167.14410	7.0
168.14685	0.4
176.89436	0.2
179.10762	4.7
180.04272	0.3
180.11267	0.4
183.13844	0.3
195.13895	100.0
195.81096	1.6
196.14223	4.8
208.79730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01381	3.8
61.98829	4.0
62.90935	0.8
70.66943	1.5
71.01370	1.2
79.28817	0.6
79.93944	0.8
103.92050	4.2
123.00930	1.1
136.04346	1.1
137.02531	0.9
150.03181	2.3
158.84688	0.9
160.84216	42.5
165.01920	1.3
165.05634	1.3
177.12857	4.3
180.04327	1.5
194.90645	1.3
194.99321	0.8
195.03050	1.2
195.13898	100.0
195.81084	18.4
196.14301	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24120	0.5
61.98837	0.7
69.03456	0.9
69.84822	2.6
71.05031	0.8
87.26070	0.5
90.95827	0.4
97.06596	14.6
99.08184	4.5
104.46970	0.5
109.06577	0.8
111.08092	0.5
122.03740	2.5
125.02445	0.7
125.09725	0.7
126.03230	1.0
137.09682	2.6
151.11340	1.3
153.12854	100.0
154.13182	4.8
160.84177	3.0
162.83917	8.0
179.10782	22.0
180.11134	0.6
197.11826	6.6
197.80786	4.4
212.26686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18162	1.3
54.96719	1.3
56.98022	1.1
58.99604	11.4
59.01370	2.9
60.97527	3.4
61.98834	36.7
67.01886	3.4
68.27582	1.1
68.99823	1.2
70.82147	2.7
70.99605	27.8
71.01392	1.3
71.05031	3.3
73.01174	39.4
81.03438	1.6
83.01394	3.7
83.05007	2.0
85.02980	1.7
92.32365	1.2
92.99816	4.2
95.05001	2.0
96.81344	1.4
97.01186	11.7
99.00308	1.4
99.00854	5.7
99.08147	1.7
99.92583	2.5
100.61534	1.2
110.01919	1.5
111.00901	5.7
111.02781	2.3
111.08192	1.7
113.00684	1.7
113.02439	2.6
115.92105	1.7
116.92863	1.2
119.05081	1.1
121.06623	2.1
122.01935	1.3
123.02801	2.2
123.08150	17.1
124.03535	1.7
125.04307	14.5
125.87321	1.4
127.00386	2.6
128.98399	3.5
135.02858	1.2
136.98825	1.9
137.03253	2.2
137.04318	43.5
137.06006	2.4
137.09735	2.0
138.01422	2.9
139.05907	1.8
139.97600	2.5
141.99178	1.5
153.03798	21.6
154.99942	33.3
155.10777	4.7
156.00710	4.8
156.89507	11.5
156.97884	1.4
161.84256	1.5
162.26173	1.1
162.83925	28.0
163.83980	2.5
164.83617	25.9
165.03813	23.1
169.98640	1.9
171.03087	100.0
172.03378	3.2
181.01450	3.3
182.86015	1.2
184.00215	19.4
198.80856	1.3
198.90755	8.3
199.02577	58.7
199.06026	2.0
199.09821	6.2
199.11807	1.7
199.13373	12.9
199.17068	15.4
199.80496	21.6
199.85182	1.3
200.02960	1.5
203.52309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
55.01854	0.5
57.03435	1.0
59.01381	0.6
60.48969	0.4
61.98829	3.0
64.33658	0.4
67.01881	0.6
69.39156	1.7
69.39587	1.9
69.60873	0.4
70.87331	0.4
71.01385	0.7
71.05003	1.7
83.01398	0.8
83.05022	0.8
89.79823	0.4
92.99837	0.8
95.05027	0.5
97.06527	0.5
99.00892	2.4
99.08154	1.2
99.92576	0.5
111.00885	1.4
113.02462	1.0
116.89597	0.4
125.09749	2.1
127.00343	0.6
127.11275	4.2
137.09711	0.6
139.04076	0.4
153.12843	1.3
154.99890	0.6
155.10765	2.0
155.14395	0.9
156.89484	1.9
162.83916	12.8
163.11288	0.8
163.83940	1.1
164.83612	12.4
181.08723	0.5
181.12349	1.0
197.11836	2.0
198.90768	0.7
199.00836	0.5
199.13391	100.0
199.17015	5.6
199.80489	9.5
200.05629	0.5
200.13751	5.2
216.11792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0508
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
50.49948	0.6
55.01879	0.6
57.03445	3.6
58.00609	0.9
58.99607	4.3
59.01379	21.5
59.35449	0.6
60.97524	1.6
70.70526	0.6
71.01376	12.2
71.60455	0.8
72.99305	9.8
73.02946	0.6
74.99096	4.9
75.00873	100.0
76.01201	0.9
78.95927	1.0
80.96513	2.1
83.01368	1.5
83.79762	0.6
84.02161	0.9
85.02947	10.6
85.44493	0.5
87.00875	16.5
87.01415	0.9
89.00655	2.6
89.02442	7.8
96.95462	0.8
96.96970	1.4
99.00894	6.2
101.02441	1.8
102.92712	0.6
105.01933	4.2
107.01725	19.4
111.00889	5.0
119.81583	0.6
129.01939	30.1
130.02295	1.1
135.98312	0.9
136.99106	2.2
141.01932	3.9
147.02992	1.4
152.94441	1.0
159.02997	12.0
160.84065	0.7
163.21848	0.5
177.02267	0.7
177.04048	4.2
183.51830	0.6
195.03322	6.1
195.05075	66.2
196.05446	1.7
205.59895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
59.01374	0.4
60.36284	0.4
62.03913	0.4
67.01910	1.0
69.98660	1.8
71.01382	0.3
71.10001	0.4
75.00897	0.6
79.05552	1.5
79.95760	0.8
81.03454	2.9
87.89402	0.4
93.03459	0.5
94.90074	0.3
98.19949	0.4
109.02946	3.0
111.08333	0.4
123.04535	1.6
129.02058	0.4
136.04300	0.4
137.02446	22.7
138.02759	0.6
150.03233	1.1
151.03986	2.3
165.01935	91.9
165.05637	1.4
166.02289	2.7
179.03464	1.0
180.04285	100.0
181.04659	2.9
194.90543	0.4
195.06628	20.3
195.10303	0.7
196.07030	0.8
214.74168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
50.69192	0.3
53.48305	0.3
54.95727	0.3
59.01379	1.1
63.23135	0.3
69.03456	0.5
69.43554	2.2
71.01383	1.1
73.02946	0.6
81.03443	0.4
83.01392	1.0
85.02943	2.0
87.00892	1.1
89.03969	2.1
93.03478	0.6
97.02952	1.2
99.00903	1.1
101.02437	1.1
106.04250	1.1
109.02953	0.6
117.03475	3.9
121.02982	0.8
125.02460	1.4
133.02962	1.3
134.03745	100.0
135.04066	2.7
137.02451	4.2
139.04041	1.7
148.74634	0.3
149.06085	5.8
150.03137	0.4
161.04559	2.6
175.22409	0.3
178.02721	15.3
179.03062	0.6
192.99812	0.4
193.05069	9.5
193.06992	0.7
194.05336	0.6
200.73050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59208	0.8
55.01882	2.3
56.65300	0.8
57.03450	4.9
58.99615	2.9
59.01377	10.8
63.96243	6.1
69.03454	5.4
70.36714	2.8
70.99606	20.0
71.01387	16.5
72.99312	49.1
73.02945	9.1
76.35107	0.9
79.95729	3.1
80.96514	1.3
81.03460	2.4
83.01390	8.7
85.02957	21.7
86.00069	0.9
86.99108	6.6
87.00878	10.3
89.02470	1.1
91.02267	0.9
93.03430	1.0
95.01395	4.5
97.02960	7.7
99.00867	9.9
101.02446	24.0
101.03080	1.5
106.04244	0.8
107.01370	1.0
108.02129	0.9
109.02947	3.3
111.00920	1.3
113.02478	4.6
114.98604	100.0
115.98988	0.9
121.02967	2.5
123.04493	1.2
125.02430	10.1
132.99657	9.8
133.02972	2.4
134.03749	48.2
137.02461	7.2
139.04010	3.2
141.01970	1.8
149.06087	9.0
149.99927	49.4
150.03200	1.6
151.00722	29.8
152.01044	0.9
153.54956	0.9
154.48662	0.9
155.03511	1.1
161.04559	24.6
178.02737	24.2
193.01457	2.0
193.05235	24.8
193.07170	6.7
193.08652	1.5
203.27299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.046
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
53.34426	0.2
69.03458	0.3
69.64492	0.4
69.64915	1.0
71.01393	0.5
72.01750	0.3
75.00850	0.2
80.05072	0.4
83.01394	0.2
84.22154	0.2
85.02959	0.4
86.03293	0.4
87.00872	0.2
102.02789	0.3
104.05085	0.4
106.06634	100.0
107.06972	2.7
108.04574	0.4
114.03864	0.2
116.03443	0.3
126.02792	0.5
134.03738	0.8
135.04094	2.5
137.02449	0.3
140.04503	0.2
150.05609	26.9
151.04001	0.2
151.05934	0.9
162.04907	1.0
165.01961	0.5
165.05467	0.2
175.06137	0.2
179.03195	1.2
180.04405	0.4
194.04506	4.2
194.07248	0.2
194.90599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0155
Annotation	Xanthine-8-carboxylate
Peak:m/z	Relative Intensity
57.03453	0.2
63.20717	0.2
65.90317	0.2
66.91291	0.2
73.01185	1.3
75.00874	0.2
79.95741	100.0
80.95687	0.3
80.96519	1.7
81.03437	0.2
98.19902	0.3
102.03712	0.1
106.98092	5.7
113.02947	0.2
120.99654	3.4
122.00435	0.3
136.04187	0.3
150.03271	0.6
151.03958	0.2
151.07698	0.2
151.11269	0.4
152.96858	0.4
153.99420	1.1
164.04811	0.2
165.01860	0.4
165.05595	0.3
178.08313	0.1
180.04366	0.3
195.01544	35.1
195.13925	0.5
196.01822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0354
Annotation	3-Deoxy-arabino-hexaric acid
Peak:m/z	Relative Intensity
54.67825	1.1
55.01868	3.5
57.01019	1.3
57.03450	7.9
58.00590	3.0
59.01383	91.5
61.45210	1.3
63.16841	1.2
69.03455	1.5
69.18566	1.1
70.59918	4.0
71.01385	60.3
71.48392	1.4
72.99310	100.0
73.02950	33.3
75.00883	2.7
78.95898	2.7
83.01386	5.1
84.02172	1.6
85.02953	68.9
85.14058	1.5
87.00885	4.9
89.02448	20.7
89.89101	1.5
94.50418	1.4
95.01407	11.0
99.00884	2.7
101.02447	29.6
101.45207	1.3
103.00382	21.5
103.04039	1.5
111.00890	3.3
113.02453	76.6
114.02780	2.6
120.95480	2.4
121.63309	1.3
129.01942	2.2
131.03497	7.8
133.01422	5.9
136.94014	4.3
140.07698	1.6
150.94695	4.3
154.30653	1.3
156.91342	2.3
157.01410	4.6
161.04512	1.4
163.02393	1.5
175.02512	2.0
193.03603	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	188.0928
Annotation	Swainsonine N-oxide
Peak:m/z	Relative Intensity
51.58629	0.6
51.82893	0.5
54.31083	0.5
58.02975	20.1
59.01380	1.5
61.98828	6.4
66.03484	0.9
68.05053	3.9
70.80932	1.7
72.04549	0.7
72.99310	6.1
73.02916	0.8
78.95910	0.7
82.02941	0.5
83.01394	2.0
83.05049	1.7
87.00919	0.6
87.92568	0.7
98.02473	1.1
98.06113	1.8
99.00895	0.6
100.04032	1.3
100.07689	20.6
101.02433	0.6
103.91978	0.7
111.04559	0.7
114.09248	58.0
115.09592	1.3
117.03482	1.0
126.09267	0.9
127.00372	2.3
128.03604	0.6
132.98227	2.0
140.07172	1.0
141.86821	16.2
142.08737	87.9
143.09074	2.2
144.04559	1.3
144.06636	0.8
146.08238	6.1
159.87898	5.5
170.08218	1.7
170.88954	0.6
186.07678	1.0
187.86057	1.0
188.09286	100.0
189.00389	0.7
189.01942	1.0
189.07883	0.6
189.09645	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	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
54.79983	0.4
55.01887	0.5
57.03452	7.4
59.01374	1.7
67.01889	3.4
69.31087	0.4
71.01382	1.7
71.36305	0.7
72.99294	0.7
73.02933	0.7
76.02040	0.5
77.10538	0.5
82.27264	0.4
83.01402	0.8
84.74653	0.5
85.02956	28.7
86.03276	0.7
87.00878	46.8
88.01212	0.9
99.00901	0.6
101.02460	0.9
111.00884	100.0
112.01222	2.1
112.98808	3.8
119.54627	0.4
129.01936	4.4
130.99895	0.7
147.02954	0.6
148.94980	1.2
173.00887	1.4
180.52122	0.5
191.01990	9.3
191.05602	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	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
59.01365	0.4
60.83328	0.2
65.19940	0.2
71.38221	0.5
75.27127	0.2
85.02949	1.2
87.00877	0.9
93.03472	0.4
103.87365	0.2
110.04449	0.2
110.63810	0.2
111.00865	2.4
119.05013	1.3
121.02957	100.0
122.03297	2.8
145.86249	0.4
147.04523	6.2
160.78439	0.2
163.04019	0.9
163.05428	0.2
176.01125	0.8
191.01985	0.3
191.03511	7.9
191.05569	1.5
191.07124	0.4
192.03871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67825	1.1
55.01868	3.5
57.01019	1.3
57.03450	7.9
58.00590	3.0
59.01383	91.5
61.45210	1.3
63.16841	1.2
69.03455	1.5
69.18566	1.1
70.59918	4.0
71.01385	60.3
71.48392	1.4
72.99310	100.0
73.02950	33.3
75.00883	2.7
78.95898	2.7
83.01386	5.1
84.02172	1.6
85.02953	68.9
85.14058	1.5
87.00885	4.9
89.02448	20.7
89.89101	1.5
94.50418	1.4
95.01407	11.0
99.00884	2.7
101.02447	29.6
101.45207	1.3
103.00382	21.5
103.04039	1.5
111.00890	3.3
113.02453	76.6
114.02780	2.6
120.95480	2.4
121.63309	1.3
129.01942	2.2
131.03497	7.8
133.01422	5.9
136.94014	4.3
140.07698	1.6
150.94695	4.3
154.30653	1.3
156.91342	2.3
157.01410	4.6
161.04512	1.4
163.02393	1.5
175.02512	2.0
193.03603	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	187.1089
Annotation	19461-38-2
Peak:m/z	Relative Intensity
58.02958	1.2
59.01371	2.6
61.98835	3.4
67.01881	1.0
71.01350	1.5
71.05055	0.6
71.15228	0.9
72.99299	1.0
73.02931	1.9
73.04075	40.0
78.95894	1.1
80.96512	1.9
82.06601	1.0
83.01408	1.1
83.05054	0.9
83.54057	0.6
83.60857	0.7
84.08195	0.9
85.02917	1.0
87.00886	0.7
90.97163	1.1
97.06579	1.4
97.96722	0.7
99.00880	3.6
99.04525	1.9
99.65403	0.6
102.05621	1.0
106.69382	0.6
111.00878	6.1
112.04001	0.7
113.06138	0.7
114.09253	1.6
115.04039	0.8
116.92845	1.7
122.89426	0.7
123.08179	1.1
124.81849	0.7
125.02413	0.7
125.06113	2.3
125.09724	8.9
125.78883	0.6
127.00410	0.7
130.08745	100.0
131.09088	2.0
132.98187	1.2
141.09378	0.6
141.10329	3.1
141.86818	10.2
143.03465	0.9
143.07162	4.2
143.11902	55.6
144.06647	0.9
144.12230	2.3
154.99861	0.7
159.87860	4.1
168.88934	2.0
169.05074	3.4
186.89903	0.9
186.95633	1.3
187.06145	2.8
187.10916	66.3
187.86118	1.2
188.11255	1.8
208.74878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.01376	0.7
60.97529	0.3
61.98832	1.4
65.89271	0.2
65.99881	0.2
69.51537	1.4
70.35239	0.2
74.44564	0.2
79.29828	0.2
81.74145	0.2
83.05024	0.3
87.92553	0.4
97.06575	0.3
98.20621	0.4
99.00945	0.2
99.02737	0.6
99.92581	0.3
102.03535	0.5
111.04559	0.3
116.05002	0.5
117.03477	0.3
118.02977	0.3
118.76077	0.2
119.04976	0.2
123.94611	0.3
124.89142	0.2
126.03842	0.2
126.10057	0.3
127.00389	0.3
127.07633	1.1
129.05563	0.9
140.05365	0.2
141.86813	4.4
143.07156	0.5
144.04553	100.0
145.04906	3.9
159.03259	0.6
159.87866	2.3
160.03992	0.2
170.01073	0.4
170.88950	0.4
187.86139	0.4
188.03526	4.0
188.07173	0.4
189.05664	0.3
189.07661	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	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.87347	0.3
57.03452	4.2
57.04227	0.2
59.01381	0.3
61.98822	0.7
69.03453	0.7
70.63264	0.9
71.01397	0.5
79.95783	0.3
80.02714	0.3
83.05035	0.8
87.03995	0.3
87.92590	0.3
95.05012	0.6
96.99331	0.3
97.06588	12.4
98.06987	0.4
116.92845	0.5
123.08166	6.6
124.08383	0.3
124.98818	0.4
125.09727	100.0
126.10078	3.9
141.86807	2.7
143.10771	1.9
143.11719	0.3
146.01613	0.3
159.87868	0.7
168.89006	0.3
169.08707	2.5
187.09753	43.1
187.13289	1.0
188.10066	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	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.5
59.01379	79.1
60.01723	0.5
61.98837	2.7
74.99374	0.6
78.06586	0.4
90.97126	4.1
97.06600	1.0
114.98888	0.7
115.02500	3.8
117.00442	9.3
118.00546	0.6
118.96688	0.5
123.08173	1.0
125.06046	0.5
125.09719	7.1
132.98199	2.1
140.31346	0.4
141.86807	2.9
142.89343	1.9
143.01974	1.5
144.04608	0.5
144.99933	1.8
153.89847	0.4
159.01494	100.0
159.86086	0.5
159.87881	1.6
160.01616	6.0
186.95647	2.1
187.00984	12.4
187.03972	0.8
187.06187	0.6
187.09769	3.3
187.13408	1.2
188.00916	0.7
188.03531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.4
54.37560	0.7
55.01879	4.9
57.03449	1.7
57.50065	0.6
58.02970	1.0
59.01392	4.6
61.98833	5.6
65.00324	3.7
67.01909	0.9
68.99815	1.2
70.83786	1.1
71.01388	12.2
72.99302	1.3
75.00869	0.7
78.95905	2.6
79.95751	1.9
79.99033	1.9
80.96507	1.1
80.99822	4.1
83.01388	9.7
83.05029	1.6
85.02930	1.3
85.66045	0.7
87.00848	0.9
87.04506	1.4
90.97108	1.9
96.99306	2.0
97.06595	2.5
98.00117	0.7
99.00884	100.0
99.04536	0.7
99.92573	1.1
100.01199	2.0
100.98807	2.2
108.99325	1.4
111.00881	3.6
111.22439	0.7
112.04039	3.1
113.02427	1.1
113.04400	3.8
115.03991	1.6
115.92056	1.1
116.92841	2.3
122.89433	1.8
123.08153	1.6
124.98803	2.5
125.06081	10.0
125.09735	14.3
125.48554	0.7
125.99617	1.1
126.10059	1.2
127.00372	18.7
127.04061	0.8
129.01945	1.7
130.08713	0.7
132.98201	1.0
136.98802	9.3
141.01962	2.1
141.86816	15.9
142.08710	1.7
143.07141	3.2
144.04514	1.2
144.06705	0.8
145.07001	1.5
154.99864	3.0
157.01495	0.8
159.04451	0.8
159.87872	7.3
168.88908	3.6
169.01437	6.3
169.05078	2.4
173.00917	2.6
186.90092	1.3
186.95564	1.4
187.02472	8.9
187.04001	2.1
187.06119	2.7
187.07889	1.9
187.09695	8.8
187.13411	1.8
187.86024	1.6
188.09171	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	184.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94475	0.4
64.95253	0.7
70.95952	0.2
70.96293	0.3
70.99598	0.2
71.71470	0.1
73.01170	3.0
79.95738	100.0
80.95703	0.3
80.96529	1.1
96.96019	0.5
104.98385	14.0
112.93755	0.3
120.97890	0.9
141.09195	0.1
184.94087	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	185.1545
Annotation	Undecanoic acid
Peak:m/z	Relative Intensity
57.03451	1.9
59.01368	3.1
61.98825	3.2
65.36011	0.8
69.03456	2.3
69.78291	5.1
83.71600	0.9
84.99281	0.9
97.02931	2.6
97.06567	1.2
99.92567	2.3
112.98708	1.0
113.02412	1.0
122.89446	1.0
123.08115	1.8
132.56897	0.9
134.76682	0.9
139.87263	6.8
140.89687	2.0
141.09244	5.5
141.12833	3.8
141.40565	0.9
141.93677	1.4
157.88319	3.6
170.30502	0.9
172.97221	0.9
185.04605	1.1
185.08243	1.9
185.11848	52.3
185.15450	100.0
185.81825	1.0
185.86623	1.3
186.12187	1.1
186.15788	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	186.9563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.1
60.13701	0.1
61.98863	0.1
63.94458	0.3
64.95256	1.2
69.55385	0.4
69.55793	0.6
79.93955	1.6
79.95740	100.0
80.94754	0.3
80.95672	0.4
80.96519	0.6
106.99954	1.0
112.93733	0.3
122.99445	0.9
125.09735	0.5
141.86816	0.3
143.90160	0.2
144.90926	0.5
186.95638	3.7
187.09808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0458
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
52.09984	0.3
59.01384	0.7
61.98837	1.4
65.95820	0.6
67.01848	0.3
68.64838	0.2
68.99810	0.3
69.03458	0.5
70.35457	0.7
71.01381	0.4
73.12249	0.2
76.25192	0.2
76.98708	0.4
77.99029	0.3
78.95910	0.4
79.95734	0.3
82.02960	0.4
83.01373	0.3
83.05028	0.6
85.02944	0.7
86.83463	0.2
92.05058	4.3
94.02978	1.8
95.05030	0.4
96.04559	0.5
96.94236	2.4
96.96014	2.9
97.02919	0.5
102.02771	0.3
107.03759	0.3
108.04557	52.3
109.02931	0.4
109.04859	1.5
110.02493	0.7
110.06128	1.2
111.00862	0.4
111.04530	0.6
120.04562	4.9
120.95996	0.4
121.06613	0.4
122.02451	1.7
122.06066	0.2
123.00895	0.7
123.03305	1.2
124.01694	0.3
124.98775	0.3
126.98849	0.3
136.04074	1.5
138.05612	100.0
139.04025	0.4
139.05940	3.0
139.11346	0.3
140.09105	0.3
143.26520	0.3
150.03084	0.5
152.00728	0.3
152.03526	0.9
152.07100	0.3
166.99974	0.3
167.03055	0.9
168.00615	0.7
182.04575	21.5
182.93033	0.3
182.97923	0.6
183.03203	1.3
183.04825	0.6
183.06599	0.4
183.10210	0.3
187.14197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01371	0.5
60.27560	0.3
61.67739	0.3
61.98848	0.4
62.07246	0.4
65.00291	0.4
71.10137	0.7
111.00864	0.5
165.01959	0.4
182.99101	0.4
183.00543	0.6
183.03067	0.5
183.13893	100.0
184.14268	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	181.0507
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
59.01386	30.6
61.98832	100.0
65.00323	13.6
65.52638	3.6
65.94035	5.3
66.94822	5.3
70.99600	4.2
71.01376	37.8
71.13313	3.8
71.13625	4.7
73.02965	9.0
77.38783	4.1
79.17424	3.8
81.03480	5.0
85.02947	4.8
85.33128	3.7
89.02459	20.6
93.03461	77.8
95.01357	6.5
96.85197	3.3
96.96014	37.6
97.02935	4.2
99.92575	3.7
101.02467	21.6
106.70902	4.9
107.05023	9.0
108.02183	10.0
108.03309	5.2
108.89952	6.1
109.02950	15.3
109.06571	5.1
121.02943	26.3
122.03674	3.9
123.00879	7.1
135.04514	9.8
136.98822	6.4
137.02452	19.1
137.06078	62.3
137.07187	28.4
137.09660	6.0
149.02406	4.7
151.00369	39.3
151.03996	12.1
153.01929	3.9
163.00342	5.1
163.06165	4.6
166.02702	64.6
176.97768	4.2
180.81282	7.6
180.84177	10.9
180.85854	17.2
180.90927	3.8
180.94154	4.8
181.01489	20.1
181.05057	49.2
181.07254	31.6
181.08669	7.0
202.53578	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
55.01871	4.3
57.03452	2.5
58.00578	5.3
59.01381	100.0
63.96225	5.0
69.03459	3.0
71.01382	98.0
71.05016	2.4
71.49989	2.6
72.99300	22.3
73.01175	1.7
73.02943	15.9
74.99105	11.4
75.00874	98.2
78.95901	2.4
79.72290	1.6
79.95758	3.0
81.03440	4.4
83.01367	9.2
85.02955	18.8
86.36476	1.5
87.00875	51.7
89.00693	2.6
89.02443	39.0
90.98619	1.8
91.00241	17.6
91.02245	7.0
92.05045	3.1
95.01390	4.8
97.02965	4.1
99.00897	12.6
99.04510	2.6
101.02446	21.1
105.01929	1.6
111.00800	1.4
113.02461	9.6
117.01935	6.1
125.02424	6.9
135.04544	3.1
135.98438	1.9
136.04065	11.8
136.99104	4.9
141.01920	3.7
143.03494	9.7
151.00391	1.9
159.02985	2.2
161.02615	1.6
161.04564	36.3
164.01102	2.7
179.03880	4.9
179.05609	83.5
180.06012	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	179.0561
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
55.01877	2.7
57.03429	1.1
58.00595	7.2
58.92652	0.9
59.01381	100.0
59.56407	1.0
60.01699	1.2
69.03468	0.9
69.54707	6.3
71.01384	92.1
71.05022	2.4
72.01754	1.1
72.99307	14.9
73.02951	9.0
75.00877	99.7
79.14045	0.9
81.03455	5.4
83.01395	4.7
85.02947	7.6
87.00873	12.7
89.02445	43.2
92.05039	1.7
94.80781	0.9
95.01392	1.9
97.02926	1.1
99.00901	3.8
99.04550	2.1
101.02448	16.8
105.01902	1.7
113.02464	6.4
125.02439	3.4
126.07510	1.0
136.04030	8.7
143.03508	8.0
161.04550	11.9
179.05615	54.6
180.05894	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	180.0667
Annotation	3-Amino-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
57.03452	0.9
59.01391	2.8
60.01698	0.6
63.96234	0.6
66.03487	1.6
71.01385	2.6
71.08803	1.0
71.09133	0.9
72.00918	7.5
72.01736	0.9
73.02920	0.8
74.02476	1.0
74.35023	0.5
78.96815	0.9
79.95754	3.0
80.59078	0.6
81.44644	0.7
82.02990	0.5
85.02969	1.0
87.00889	1.1
88.01214	1.4
88.02255	1.3
89.02446	1.7
89.19389	0.5
91.05566	0.6
92.05055	1.1
93.03461	5.3
94.02999	2.3
94.06642	1.1
99.00861	0.6
101.02448	1.5
106.04262	4.4
107.05035	37.3
108.04610	1.2
108.05356	1.3
109.02983	1.2
110.02483	0.6
119.05032	100.0
120.05363	4.0
123.00848	0.8
134.06110	4.0
135.04567	0.8
136.04060	4.6
136.07686	78.5
137.02460	0.9
137.08063	2.4
138.03242	1.0
148.04059	1.1
150.52444	0.5
151.00368	4.2
160.03934	0.8
162.05615	2.4
163.04001	13.2
165.01811	0.8
166.02695	4.5
180.03275	1.4
180.06679	60.4
181.05299	3.2
181.06914	3.1
181.08479	0.6
191.13882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74949	0.8
51.92287	0.8
56.98029	3.5
57.03436	1.1
59.01385	7.4
60.97521	1.4
63.96241	49.7
66.18264	0.9
71.01388	6.5
71.05147	1.7
72.99309	18.7
73.01173	8.1
73.02947	4.3
73.98314	5.4
73.98990	0.9
74.99098	100.0
75.00883	1.3
77.00616	0.8
78.95898	2.8
79.95734	18.2
80.96512	6.8
85.02959	4.1
86.99103	2.6
87.00879	24.1
89.00651	3.1
89.02458	3.3
89.97775	1.0
91.00237	5.8
91.02225	3.4
95.01363	1.2
98.30514	0.9
99.00877	2.6
101.02438	2.6
105.00163	2.1
113.02438	1.2
117.01922	2.9
117.97294	7.1
118.98112	2.1
125.02439	1.8
135.04512	2.0
135.98361	18.4
136.04027	1.5
136.94043	1.0
136.99149	42.1
137.11809	0.9
155.50447	0.9
159.02982	0.9
161.02762	14.7
161.04521	9.4
164.01096	1.4
179.00104	0.8
179.03787	17.5
179.05579	10.6
179.07034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.44653	0.2
57.03445	0.2
59.01383	0.7
63.02416	0.3
63.87978	0.2
63.94488	0.3
63.96236	3.0
63.97915	0.2
64.97034	0.2
71.01379	1.2
73.02942	0.3
78.94843	0.2
83.01389	0.4
85.02955	0.4
87.00877	2.4
89.02471	0.3
89.03989	0.3
91.05537	0.5
95.05008	0.2
99.00880	0.6
101.02467	0.4
107.01405	0.5
107.05032	1.8
108.02174	0.4
109.02975	0.3
113.02363	0.2
117.01958	0.4
117.03480	0.6
121.02959	0.5
123.04519	0.2
125.02515	0.4
134.03754	5.4
135.04529	100.0
136.04860	3.7
144.86247	0.2
149.02472	1.1
149.03595	0.2
151.00305	0.8
161.04570	1.3
164.01178	0.9
164.04774	1.0
167.34262	0.2
169.01443	0.2
171.45035	0.2
173.24916	0.2
179.00142	0.4
179.03496	15.9
179.05559	1.4
179.07050	0.5
179.10776	0.4
180.03821	0.5
195.43967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
57.66092	0.2
58.66505	0.2
59.01377	0.7
63.02410	0.4
65.00330	0.2
65.14120	0.1
66.36413	0.2
69.03446	0.2
69.50788	0.6
69.51214	0.6
71.01381	0.5
72.43529	0.1
74.27500	0.1
81.03463	0.2
83.01384	0.2
85.02964	0.5
87.00876	1.1
87.64178	0.2
89.03983	0.4
91.05523	0.4
93.03452	0.2
97.02936	0.2
99.00895	0.3
100.67679	0.2
106.04245	0.5
107.01418	0.4
107.05031	1.5
108.02222	0.3
109.02946	0.2
117.03469	0.7
121.02928	0.2
134.02707	0.3
134.03746	6.8
135.04526	100.0
136.04852	3.5
151.00365	0.8
156.75716	0.2
161.04533	0.7
164.01228	0.4
179.00043	0.5
179.03499	15.1
179.05519	0.5
180.03873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28467	0.4
61.90656	0.4
63.96230	1.0
70.77685	1.2
70.99609	29.6
72.99321	1.0
76.97031	2.1
86.99108	0.8
87.00864	2.1
89.00671	100.0
90.01015	1.2
96.35617	0.4
117.97335	0.5
135.98338	1.7
138.79674	0.4
159.01216	1.0
164.13242	0.5
177.02278	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62941	0.2
59.01369	0.2
61.98825	0.2
68.30614	0.2
69.97536	0.8
79.02715	0.2
79.95757	0.2
98.19816	0.2
119.93723	0.7
134.96092	24.7
135.96147	1.6
136.94014	100.0
137.94086	5.6
151.92717	14.5
152.92793	0.7
154.95079	0.3
169.56334	0.2
178.95064	51.9
179.05646	0.2
179.95161	2.8
196.96140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72154	0.3
55.01866	0.5
56.30509	0.3
57.03460	0.7
59.01379	3.2
60.50934	0.3
63.02407	2.0
63.94463	100.0
63.96236	7.9
64.95246	59.6
65.00325	0.7
67.01886	0.3
68.99822	0.6
69.03458	0.7
69.37954	2.6
71.01387	5.4
72.99302	0.7
73.02946	1.2
75.00895	0.5
79.93983	0.8
81.03467	0.6
83.01379	2.1
85.02953	3.6
87.00874	15.9
87.73918	0.3
88.01209	0.3
89.02445	1.5
94.02999	0.7
95.01384	0.6
96.20481	0.3
96.95995	0.3
97.02962	1.3
99.00894	4.4
101.00666	11.8
101.02431	2.0
107.01363	2.1
107.05045	0.6
108.02235	0.3
109.02946	1.0
109.04076	0.6
109.79148	0.3
111.00849	0.4
113.02449	0.8
117.01943	2.8
121.02964	0.8
125.02451	2.1
129.01926	0.4
129.03809	1.3
133.01569	0.5
135.00919	0.6
135.04535	4.7
135.08191	0.3
136.01680	0.6
136.07701	1.1
137.06152	0.3
139.09648	0.3
141.01947	1.1
149.02449	0.9
151.00366	3.1
151.03990	0.5
151.07683	0.6
159.03024	0.7
161.04547	8.6
161.05859	0.6
164.01126	2.3
164.04813	0.7
169.01498	1.2
178.99913	2.5
179.02074	20.7
179.03519	2.3
179.05620	9.3
179.07117	0.7
179.10834	0.7
180.02336	0.4
184.42683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03463	1.1
59.01380	6.9
61.98853	0.6
62.93943	0.5
63.02398	4.8
63.94466	100.0
63.96241	9.2
64.95251	63.4
65.00333	1.5
66.03508	0.4
69.03455	2.1
69.99100	0.9
69.99509	1.5
71.01388	11.6
72.99310	1.0
73.02950	3.9
73.41338	0.5
75.00858	0.8
78.95899	1.0
79.01895	0.8
79.93963	0.7
79.95708	0.5
81.03461	0.8
82.69031	0.6
83.01395	4.2
85.02956	7.9
87.00881	37.0
87.94483	0.4
88.01222	0.6
88.46249	0.5
89.00708	0.6
89.02451	2.9
91.00286	0.4
91.01901	1.1
93.03458	0.9
94.02995	1.7
95.01401	1.3
96.96030	0.9
96.96990	0.6
97.02967	3.2
99.00887	11.5
99.92593	0.5
101.00669	10.9
101.02448	4.4
102.96828	1.4
107.01392	5.0
107.05033	1.4
108.02201	0.8
109.02268	0.5
109.02912	2.1
111.00927	0.5
113.02455	2.1
117.01946	6.4
121.02962	1.6
122.89440	1.0
123.00900	0.8
123.04449	0.5
125.02470	4.9
129.01985	1.1
129.03789	1.7
129.39052	0.4
133.01535	0.6
133.25648	0.5
135.00859	1.1
135.04529	8.5
135.08206	0.9
136.01656	1.0
136.05309	1.0
137.02472	0.6
141.01944	3.5
141.86826	0.8
143.86496	1.3
149.02472	1.3
151.00368	7.2
151.04028	1.3
151.07674	1.1
152.82547	0.4
159.02989	1.8
161.04570	18.7
161.87550	0.5
162.04961	0.9
163.84065	1.9
164.01147	4.9
164.04776	1.9
169.01439	2.9
177.04068	0.5
178.81494	1.6
178.83017	0.5
178.84497	0.5
178.85870	1.1
178.88432	1.0
178.91344	0.6
178.99869	5.2
179.02046	22.8
179.03534	4.7
179.05597	22.3
179.07120	3.2
179.10724	1.5
180.02740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.017
Annotation	4-Deoxy-L-threo-5-hexosulose uronate
Peak:m/z	Relative Intensity
59.01380	28.9
67.01894	3.2
68.02275	2.0
68.99828	2.9
69.30562	22.9
71.01386	40.9
72.99313	6.4
73.02950	6.1
74.92120	2.3
78.54877	2.2
83.01408	5.3
85.02970	4.6
86.02489	4.4
87.00878	100.0
93.03453	3.3
94.03789	8.1
98.20612	4.2
113.06120	2.1
113.99129	2.8
114.01960	28.2
115.00377	86.4
115.04022	3.9
127.00215	2.4
128.11578	2.4
144.00168	2.2
158.24910	1.9
173.96333	3.0
174.01697	26.1
174.04089	4.6
174.05577	3.5
174.12190	28.3
174.88950	10.5
175.02515	21.3
175.03964	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	175.0399
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
58.00589	0.2
59.01384	4.0
65.00343	0.3
67.01875	0.3
70.52880	0.2
71.01382	5.2
71.01767	0.4
72.99316	0.5
73.02951	0.5
75.00883	0.3
83.01363	0.3
85.02961	0.7
85.06604	0.3
86.02468	0.2
87.00877	12.4
88.01226	0.3
90.30453	0.2
91.01914	0.9
104.02683	1.0
112.98795	0.3
113.02431	0.3
113.06086	0.5
115.00376	13.5
115.04016	0.9
116.00784	0.3
119.01414	0.9
127.00331	0.2
129.01871	0.2
130.06653	0.6
131.01360	0.2
131.05025	0.4
132.02177	46.9
133.02484	1.3
133.47229	0.2
147.04517	0.6
152.41585	0.2
160.01662	100.0
161.02007	4.0
164.38095	0.2
174.88991	1.2
175.02480	3.4
175.04001	15.2
175.06323	0.4
175.09758	0.2
176.04268	0.7
176.07188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03440	1.0
59.01380	6.2
70.08513	2.2
71.01377	3.4
71.05032	0.7
74.80082	0.5
85.02975	0.7
85.06589	47.1
86.06909	0.9
87.00878	7.8
87.04517	2.3
113.06088	41.5
114.06414	1.0
115.00376	8.0
115.04009	100.0
116.04369	2.5
116.97904	0.5
118.04697	0.4
129.05565	1.8
129.09271	0.6
131.07140	8.3
157.05055	8.9
158.05367	0.6
175.02492	1.6
175.06107	49.2
176.06448	1.5
193.55969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0386
Annotation	S-[(E)-Prop-1-enyl]-L-cysteine S-oxide
Peak:m/z	Relative Intensity
59.01376	0.4
63.96238	2.0
70.99606	35.9
71.01384	0.6
71.17807	0.9
72.99908	1.7
74.00701	1.3
74.99104	0.5
76.97016	2.1
81.43324	0.4
82.10416	0.4
86.99095	1.8
87.00879	1.2
88.01225	0.7
89.00671	100.0
90.00998	0.5
96.95994	0.6
113.80909	0.5
115.00382	0.8
116.00738	0.6
118.49123	0.4
118.98087	1.6
134.99934	2.2
135.98315	0.8
167.01486	0.4
183.37727	0.4
192.53194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Daphnetin
Peak:m/z	Relative Intensity
51.36311	0.2
56.36922	0.2
56.80824	0.2
57.03456	0.2
58.02965	0.4
58.99605	3.9
59.01395	1.0
61.79659	0.2
63.56708	0.2
66.51142	0.2
67.01898	0.2
67.95047	0.3
68.99824	0.3
70.99589	0.5
71.01380	1.0
71.60749	0.3
71.61145	0.3
74.02464	0.8
75.00876	0.3
77.03972	0.6
77.25200	0.2
81.03456	2.9
82.61135	0.2
83.01382	0.2
85.02924	0.4
87.00838	0.3
89.00655	0.8
89.03972	9.1
93.03461	2.9
95.05022	1.0
99.00869	0.5
99.05650	0.2
105.03464	14.6
106.03780	0.4
107.01394	0.5
109.02950	0.5
115.00389	0.3
119.05035	0.4
121.02941	1.5
123.04483	0.3
129.01903	0.4
131.04915	0.2
133.02962	28.1
133.06583	0.5
134.03648	1.0
135.30009	0.3
137.02432	0.3
139.04015	0.8
143.04617	0.4
147.04552	0.8
149.02440	4.0
149.06036	0.5
159.04507	0.3
162.03227	3.0
177.01930	100.0
177.09167	0.8
178.02293	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	173.0091
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
52.00445	1.5
53.00312	1.8
55.01886	2.6
57.03448	4.1
58.19780	1.5
59.01379	14.0
60.20076	1.4
60.99316	3.0
61.98827	2.8
67.01892	21.9
68.99808	3.3
69.03452	2.8
69.56439	1.3
70.36195	2.5
71.01386	29.9
71.05006	1.4
72.99316	9.0
73.02950	15.9
81.03437	3.2
82.02854	1.4
83.01392	4.9
83.05019	9.0
84.99301	1.4
85.02949	5.9
85.06575	1.8
87.00885	5.7
93.03461	92.3
94.03770	1.9
96.99312	2.1
97.01189	6.0
99.00885	24.9
99.04527	6.2
99.92605	1.7
100.92622	2.3
103.15098	1.5
111.00887	5.3
111.04521	18.4
111.08183	11.7
112.98811	100.0
113.99088	1.7
114.01977	3.3
115.00358	6.9
116.93135	1.3
124.98833	11.0
129.01920	2.6
129.05559	2.5
129.09230	2.5
137.02451	6.8
140.98285	2.5
141.00127	1.5
142.99867	48.8
143.03488	1.6
145.01346	1.4
145.02934	2.9
155.03424	2.2
172.82974	2.4
172.84294	3.2
172.95644	3.2
173.02983	10.0
173.04442	10.2
173.05933	2.1
173.08180	5.5
173.11856	3.9
173.96346	2.1
174.01714	2.0
174.05569	1.3
194.52043	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	174.0169
Annotation	Aminosalicylate sodium anhydrous
Peak:m/z	Relative Intensity
59.01381	35.6
60.33386	4.5
61.98825	23.7
64.15927	4.5
65.00308	6.4
69.50008	25.1
71.01390	51.6
72.99313	14.2
73.02947	13.9
80.00526	5.1
83.01384	9.9
86.02494	6.7
87.00874	100.0
88.98792	4.8
93.03469	9.5
94.03803	22.4
99.92589	5.4
113.99173	5.2
114.01981	33.4
115.00369	98.6
115.04001	7.7
146.06154	7.5
173.96405	13.7
174.01688	55.9
174.05582	22.4
174.84056	5.9
174.86101	6.2
174.88942	40.0
175.02438	27.2
175.03973	10.1
176.88338	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	174.0169
Annotation	Aminosalicylate sodium anhydrous
Peak:m/z	Relative Intensity
53.76089	9.9
55.26289	10.2
59.01375	12.7
61.98835	28.0
68.99695	11.1
69.85277	53.0
69.85684	18.7
71.01395	24.5
83.01368	10.5
87.00864	33.1
115.00390	28.4
174.01697	100.0
174.88986	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	174.0169
Annotation	Aminosalicylate sodium anhydrous
Peak:m/z	Relative Intensity
53.05869	10.5
55.39991	9.2
59.01369	34.5
69.40202	33.5
69.40630	62.5
71.01371	16.0
72.99274	11.8
82.94802	10.6
87.00882	95.1
94.03815	12.8
114.01946	33.2
115.00386	87.1
122.14640	10.8
146.19287	9.8
169.92169	9.5
173.96164	13.9
174.01689	100.0
174.84073	18.3
174.88947	29.3
175.02377	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
51.73137	0.6
53.00305	2.0
55.01884	8.2
57.03445	3.7
58.02975	2.1
59.01394	6.0
61.38223	0.8
67.01885	2.8
68.99818	4.2
69.03484	1.0
71.01385	100.0
72.01721	1.5
72.99317	2.9
73.02953	4.9
80.99796	1.6
83.01395	10.0
83.05018	0.9
85.02954	5.4
85.75063	0.8
86.02460	0.7
87.00871	4.9
93.03463	3.2
96.99310	4.0
98.20615	1.8
99.00881	34.2
100.07662	1.3
101.02419	0.7
111.00883	17.0
111.04532	1.1
112.98816	22.0
114.01986	2.4
115.00386	2.5
124.98809	30.9
128.07207	1.1
129.01953	3.1
129.05574	0.9
135.88057	0.6
137.02454	0.8
140.98302	1.7
142.99863	58.8
144.00224	1.1
154.99886	2.1
171.90990	0.9
173.00906	14.1
174.07690	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	173.0091
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00313	1.0
55.01885	2.1
55.50180	0.8
57.03453	2.3
59.01382	9.3
60.62206	0.8
60.99307	0.9
66.52639	0.7
67.01900	6.7
68.99821	2.4
69.03440	1.6
70.72499	1.2
70.72842	1.0
71.01388	23.8
72.99304	6.0
73.02958	6.5
73.64812	0.8
75.00867	0.7
80.99809	1.2
81.03491	1.1
83.01408	3.6
83.05025	4.7
85.02956	2.4
86.02497	1.3
87.00874	4.1
93.03461	33.1
94.03806	1.1
94.67756	0.8
96.24805	0.8
96.99324	2.6
97.03011	0.8
98.19886	1.1
99.00892	17.9
99.04476	1.3
101.02428	0.9
104.65831	0.8
109.02985	0.9
109.06580	1.5
111.00864	4.6
111.04533	6.6
111.08154	14.4
112.98816	100.0
113.99142	2.5
114.01974	5.7
115.00362	4.1
115.92776	0.9
124.98805	7.9
127.00376	1.1
127.07659	1.0
129.05554	0.9
129.09221	2.5
130.03642	0.7
137.02429	2.9
140.98299	2.1
142.99870	37.0
144.00197	1.4
154.99863	1.3
173.00885	0.8
173.02489	0.9
173.04617	3.7
173.08209	6.6
173.11816	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	173.009
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
52.54033	1.0
53.00299	1.5
55.01879	2.4
55.05478	1.0
57.03441	4.6
58.00596	1.6
59.01377	11.4
60.94495	1.2
60.99293	3.1
61.98827	6.3
65.03949	1.5
67.01894	19.1
68.99817	1.6
69.03442	4.6
70.99607	1.1
71.01384	27.0
71.05020	1.5
71.15188	1.2
72.99311	6.5
73.02945	21.5
75.00849	1.5
81.03448	3.4
83.01379	4.9
83.05015	8.6
84.99288	1.1
85.02946	8.4
87.00859	5.0
93.03460	100.0
94.03791	3.8
96.99304	1.5
97.01174	4.5
99.00891	22.4
99.04520	5.6
99.92577	2.9
100.92600	5.6
101.02415	2.2
101.97977	1.4
111.00880	4.9
111.04519	15.4
111.08182	13.9
112.98816	71.5
113.99087	1.4
114.01978	4.8
115.00347	7.3
116.92091	1.4
124.98827	9.3
127.00323	1.6
129.01917	2.2
129.09189	1.5
132.85712	1.0
137.02477	7.8
139.97585	1.2
140.98276	1.2
141.00146	1.2
142.99861	38.5
143.03473	1.2
145.02940	2.5
154.94719	1.4
154.99883	1.5
155.03481	2.9
172.82970	2.2
172.84244	4.6
172.91136	2.0
172.95656	5.1
173.00967	1.5
173.02406	2.1
173.03169	1.2
173.04532	11.4
173.06088	3.1
173.08218	7.6
173.11824	3.3
173.96342	1.9
174.01703	4.6
174.05481	1.8
174.58017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00303	4.5
55.01878	7.2
55.28829	1.2
57.03453	3.7
58.02970	3.5
59.01373	8.0
67.01880	1.4
68.99815	3.5
70.11832	1.0
71.01383	100.0
71.36638	1.8
71.36979	1.7
72.01724	1.5
72.99312	4.2
73.02940	4.9
80.99847	2.7
83.01392	8.0
85.02951	5.5
87.00871	6.2
87.97628	1.1
88.11969	1.2
93.03460	3.8
96.99307	5.3
99.00883	37.4
100.07687	4.1
101.02448	2.0
101.08029	1.8
111.00872	4.5
112.98819	30.6
114.01969	1.7
115.00355	3.3
118.34834	1.1
124.98817	34.5
128.07216	7.1
129.01945	2.4
129.10352	2.6
131.08228	3.4
132.06667	1.2
140.98288	3.3
142.99867	93.2
144.00221	1.5
154.99910	1.7
173.00920	14.0
173.08081	2.5
173.09367	1.8
174.07697	6.8
180.18689	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03459	0.4
58.02976	1.8
58.22746	0.3
59.01398	0.6
60.97583	0.3
66.80939	0.3
67.01897	1.8
69.03468	0.3
70.73748	0.3
71.01394	1.9
72.99319	0.4
73.02945	1.3
78.82431	0.3
81.74317	0.3
83.01408	0.3
83.05072	0.5
85.02969	0.6
87.00859	0.3
88.04067	0.4
93.03456	7.6
98.69935	0.3
99.00902	1.0
99.04519	0.4
99.92573	2.3
100.07697	0.4
111.00894	0.9
111.04539	1.4
111.08180	1.0
112.98830	1.5
115.00342	0.6
115.92111	0.3
116.05064	0.3
116.07179	1.5
124.98828	0.6
128.07973	0.5
128.10822	5.5
129.01952	0.3
130.08743	100.0
131.09102	2.8
137.02428	0.9
142.99840	1.2
144.04486	1.4
147.09599	0.3
171.91071	0.7
172.04143	0.7
172.06050	0.5
172.09772	13.9
172.14267	0.4
173.02400	0.3
173.04562	1.1
173.08167	0.6
173.09911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1029
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01086	1.3
55.01875	3.9
57.03452	8.3
59.01380	6.6
61.98834	10.0
63.46947	1.1
65.00316	3.8
65.40373	1.1
67.01912	1.2
67.86185	1.2
68.99825	1.8
69.03465	1.8
69.34921	3.8
69.35338	7.3
70.99622	1.2
71.01379	4.6
71.05029	28.5
73.02962	1.4
78.95909	2.2
81.03468	2.6
83.01375	1.8
83.05025	8.4
87.00877	1.7
87.45897	1.4
97.02959	2.3
97.06564	2.9
98.20647	3.0
99.00873	4.8
99.08163	82.7
99.92591	64.7
100.08495	1.6
104.41989	1.2
109.02956	3.5
109.06592	3.9
111.00890	2.3
111.08193	1.6
113.02441	1.7
115.92102	8.4
121.94255	1.3
123.08178	2.9
124.89135	23.3
125.09731	28.5
126.47238	1.3
127.04021	2.5
127.07661	18.0
127.11302	62.6
128.03539	2.0
128.11612	2.0
130.08792	1.8
144.04535	3.6
153.09235	12.4
163.52150	1.1
170.83340	5.6
170.99507	2.9
171.01993	17.7
171.06618	4.9
171.10280	100.0
171.13927	25.7
171.91055	16.4
172.04097	2.7
172.10623	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	172.0617
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.00294	1.4
55.01871	3.0
57.03447	2.9
58.02977	76.2
59.01382	6.7
59.03323	0.9
60.97522	1.3
61.85208	0.6
61.98811	0.8
64.72734	0.6
67.01887	4.0
68.99821	1.9
69.03449	3.5
69.93244	1.8
69.93635	1.5
70.02982	1.7
71.01385	43.2
71.05019	1.2
72.99323	6.7
73.02951	5.5
74.02485	4.5
75.00877	0.9
81.03484	1.0
83.01379	5.3
83.05026	2.5
84.04550	9.4
85.02947	8.4
85.06580	0.9
86.02491	2.1
86.06120	26.4
87.00887	5.3
93.02911	1.4
93.03466	16.9
94.03030	1.3
96.00900	0.8
96.99312	2.6
97.01720	1.0
97.02962	0.8
98.02480	1.4
98.06133	2.3
99.00883	13.4
99.04526	2.2
100.04038	0.9
100.07688	100.0
101.08012	2.2
110.02481	1.0
110.09763	1.0
111.00892	11.8
111.04527	23.7
111.08147	2.1
112.04052	25.6
112.98820	11.9
113.02485	1.9
113.04416	0.8
115.00393	2.9
115.07648	0.8
124.98800	12.4
125.02449	1.9
126.05618	2.9
127.04028	1.1
128.07184	37.8
129.01958	2.4
129.05571	2.3
129.07515	1.1
130.05121	5.1
130.08713	1.9
131.08266	7.7
137.02458	1.9
140.98293	1.5
142.99864	30.1
144.04559	2.0
144.98158	3.2
145.02974	1.2
146.99788	1.3
154.99858	2.5
155.03505	10.5
172.02458	0.6
172.03976	1.4
172.06168	15.9
172.09586	1.1
172.14221	1.3
172.83064	3.6
172.97664	3.2
173.00922	5.0
173.04555	4.3
173.08206	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	172.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.4
55.01871	3.0
57.03447	2.9
58.02977	76.2
59.01382	6.7
59.03323	0.9
60.97522	1.3
61.85208	0.6
61.98811	0.8
64.72734	0.6
67.01887	4.0
68.99821	1.9
69.03449	3.5
69.93244	1.8
69.93635	1.5
70.02982	1.7
71.01385	43.2
71.05019	1.2
72.99323	6.7
73.02951	5.5
74.02485	4.5
75.00877	0.9
81.03484	1.0
83.01379	5.3
83.05026	2.5
84.04550	9.4
85.02947	8.4
85.06580	0.9
86.02491	2.1
86.06120	26.4
87.00887	5.3
93.02911	1.4
93.03466	16.9
94.03030	1.3
96.00900	0.8
96.99312	2.6
97.01720	1.0
97.02962	0.8
98.02480	1.4
98.06133	2.3
99.00883	13.4
99.04526	2.2
100.04038	0.9
100.07688	100.0
101.08012	2.2
110.02481	1.0
110.09763	1.0
111.00892	11.8
111.04527	23.7
111.08147	2.1
112.04052	25.6
112.98820	11.9
113.02485	1.9
113.04416	0.8
115.00393	2.9
115.07648	0.8
124.98800	12.4
125.02449	1.9
126.05618	2.9
127.04028	1.1
128.07184	37.8
129.01958	2.4
129.05571	2.3
129.07515	1.1
130.05121	5.1
130.08713	1.9
131.08266	7.7
137.02458	1.9
140.98293	1.5
142.99864	30.1
144.04559	2.0
144.98158	3.2
145.02974	1.2
146.99788	1.3
154.99858	2.5
155.03505	10.5
172.02458	0.6
172.03976	1.4
172.06168	15.9
172.09586	1.1
172.14221	1.3
172.83064	3.6
172.97664	3.2
173.00922	5.0
173.04555	4.3
173.08206	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	169.0143
Annotation	Gallate
Peak:m/z	Relative Intensity
57.03450	8.1
63.02404	3.0
65.00323	13.0
68.99811	0.5
69.03485	0.5
71.01392	1.4
71.36860	0.7
78.81494	0.4
78.95928	0.4
79.95752	1.6
80.96543	1.1
81.03461	6.8
81.03915	0.6
83.01387	37.5
84.01740	0.9
85.02983	0.5
87.00904	0.7
97.01203	0.5
97.02946	0.6
107.01389	19.3
113.00677	0.7
113.02488	0.5
122.89418	0.7
125.02443	31.4
125.06016	0.6
125.09677	0.4
126.02811	1.0
143.07141	1.0
144.80751	0.5
151.00369	100.0
152.00714	3.6
156.26334	0.5
169.01421	69.6
169.08704	0.6
170.01784	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	171.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98039	2.1
57.03430	2.2
57.62853	1.3
58.99605	35.4
59.01373	3.9
61.98832	16.2
64.95250	1.6
65.00316	3.3
65.03950	1.6
67.82014	1.2
68.99821	2.7
69.03483	2.8
69.38519	5.6
69.38946	6.2
70.99605	33.4
71.01392	1.9
71.05029	2.3
71.37542	1.2
73.01172	100.0
74.01508	1.9
83.01401	2.3
83.05032	2.0
85.02932	1.8
88.98812	1.7
89.02445	3.0
93.91338	1.2
94.01854	1.4
95.01392	2.1
96.00413	1.8
97.01182	28.1
97.03060	1.4
97.06630	1.4
99.00888	6.8
99.04510	1.4
99.08174	1.5
99.92587	52.6
105.07169	1.3
109.02943	2.6
109.06585	3.0
110.01961	4.3
111.00899	1.3
111.02744	5.3
115.92069	7.1
116.93981	2.0
117.00441	1.7
122.01985	2.7
123.00865	1.4
124.89130	19.8
125.04310	21.3
125.09765	3.0
127.04021	3.3
127.07664	17.0
127.11288	4.9
128.48297	1.4
130.08777	2.3
130.49609	1.2
137.04315	43.0
138.04663	1.9
141.01967	1.7
141.99161	1.6
144.04561	2.8
152.98248	2.1
153.09175	2.4
155.98782	1.6
156.00851	1.6
165.19531	1.5
170.83340	3.2
170.99635	1.7
171.01936	9.9
171.03094	38.4
171.06625	2.8
171.10277	58.8
171.13890	27.2
171.91017	11.4
172.03506	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
53.05437	0.2
69.68179	0.3
69.68606	0.5
91.05545	0.3
92.05070	0.2
93.03452	1.1
93.96938	0.1
109.20360	0.1
117.03484	0.3
119.05027	100.0
120.04560	0.3
120.05355	4.3
126.29403	0.1
126.78658	0.2
126.97513	0.1
135.04578	0.1
149.02454	0.2
162.89406	0.2
163.00409	0.2
163.04012	6.7
164.04373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1123
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
61.98830	12.6
63.49339	1.1
66.52123	1.2
71.61477	1.8
93.03522	1.3
96.97233	1.1
116.92094	13.0
117.91956	2.1
118.99268	1.5
119.05031	33.0
120.05384	2.9
144.20699	1.1
162.83955	3.3
162.89333	2.6
162.91478	1.5
163.00285	1.9
163.03964	2.6
163.11292	100.0
164.11620	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.40454	0.7
67.19520	0.6
69.87392	2.5
69.87810	0.9
72.00910	43.0
75.28191	0.7
91.05560	3.1
103.05545	2.3
117.90339	0.6
118.06596	1.0
119.05048	1.1
121.02937	1.1
143.14671	0.7
147.04524	100.0
148.04868	4.3
164.07167	41.5
165.07526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
50.94409	0.3
57.03413	0.3
59.01373	0.7
65.00317	0.4
67.01896	0.5
70.17399	0.3
71.01392	0.7
72.99325	0.7
73.01159	0.3
75.00871	2.0
77.03963	2.5
87.00882	0.7
93.03461	2.5
95.01425	0.4
100.96882	0.3
101.84702	0.3
105.01917	0.7
109.02934	1.1
119.05027	1.8
121.02956	100.0
122.02460	0.6
122.03214	3.0
122.06059	0.3
123.04519	0.4
123.08199	0.3
129.01912	0.3
137.02452	2.4
137.06091	0.4
142.51495	0.4
147.04529	2.6
149.00983	1.9
150.03224	3.5
151.00336	0.3
164.83615	0.9
164.89558	1.7
165.01945	8.9
165.04071	1.5
165.05568	2.1
165.07855	0.3
165.09229	1.1
166.05222	0.6
170.13571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	D-Ribonate
Peak:m/z	Relative Intensity
55.01876	3.8
57.03450	0.8
59.01385	7.4
70.32738	0.8
70.33110	1.0
71.01386	6.5
72.99309	7.7
73.02947	0.9
73.68713	0.5
75.00873	100.0
76.01218	1.6
78.98602	0.5
85.02962	1.2
87.00878	31.6
89.02447	3.4
99.00886	3.2
101.02452	2.6
105.01935	21.6
106.02291	0.6
106.98087	0.5
108.04576	1.1
117.01928	2.5
119.03541	0.5
121.02960	12.4
125.71187	0.5
128.73270	0.5
129.01939	10.5
135.03035	0.9
138.05571	0.6
138.71074	0.5
147.03017	5.7
150.03197	0.5
164.89571	0.7
165.01863	1.7
165.04039	43.7
166.01907	0.6
166.04385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	Orsellinate
Peak:m/z	Relative Intensity
53.37799	0.2
61.21124	0.2
69.47560	1.6
80.02679	4.7
108.02174	100.0
109.02496	3.6
114.53457	0.2
123.04523	66.8
124.04865	2.7
167.03497	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	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79638	0.4
58.02977	100.0
59.02627	0.4
59.03316	0.9
61.98817	0.4
70.02986	0.6
70.63202	1.4
77.98611	0.4
91.54707	0.4
122.89422	2.4
125.02453	2.8
132.86777	0.9
158.94220	0.4
159.97340	0.5
168.13910	8.1
168.72963	0.4
169.01369	1.0
180.88513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24404	2.2
54.59886	2.2
56.98040	3.6
57.03445	5.9
59.01350	2.4
61.98831	12.8
63.94451	6.6
63.96236	2.6
64.95224	4.1
67.92754	2.5
68.99826	3.6
69.03453	11.0
70.99623	2.5
73.01177	4.0
75.35173	2.1
75.40459	2.1
77.46875	2.4
81.03465	5.2
82.03005	2.7
83.01369	4.3
83.05014	2.9
85.01193	7.7
85.02966	3.9
87.00873	10.1
95.04961	3.0
97.01170	18.5
97.02950	16.9
97.06580	7.2
98.02468	2.7
99.00895	5.1
99.92566	2.8
104.98388	89.5
109.02950	2.3
111.04523	6.6
113.00677	30.9
119.34325	2.2
122.89429	72.3
123.04551	3.1
124.01604	2.5
125.00644	8.9
125.02448	100.0
125.06068	8.2
125.09751	15.0
125.99579	3.4
128.07210	6.3
134.86513	6.7
139.04057	3.5
141.00146	17.1
151.00415	4.7
151.03973	3.7
153.99066	10.3
154.02719	2.5
168.83595	9.0
168.99632	23.0
169.01413	36.9
169.05090	9.1
169.08685	7.1
169.12381	5.3
180.88643	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	161.9136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98516	0.3
61.98829	4.9
66.96190	0.2
71.24152	0.3
91.01919	0.2
99.92568	2.1
109.45094	0.2
115.92074	100.0
116.92085	6.6
117.92872	0.5
118.99256	0.2
119.05019	2.8
125.93022	0.1
161.61502	0.2
161.91359	10.9
162.01839	0.2
162.83963	0.4
162.91399	0.8
163.00443	0.2
163.03908	0.2
174.01634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
54.29951	0.9
59.01368	1.2
78.50250	1.0
81.48302	0.9
91.01899	2.9
91.05540	51.2
92.05846	2.4
93.03439	2.4
98.20625	2.7
113.02449	1.0
119.05031	100.0
120.05363	3.7
133.70972	1.3
135.00948	1.3
135.04518	8.3
147.04520	2.4
149.02448	1.1
162.89365	5.2
163.00357	3.3
163.04056	11.0
179.92365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	2-Hydroxyadipate
Peak:m/z	Relative Intensity
55.01879	2.9
55.88526	1.4
57.03454	9.1
58.00589	1.9
59.01384	52.6
64.04005	1.4
64.15591	1.5
69.03447	2.3
69.47528	10.3
71.01382	26.8
71.05024	60.0
72.05348	2.1
72.77799	1.5
72.99300	3.7
73.02951	20.1
75.00886	2.0
79.95721	1.4
80.73727	1.5
81.03452	7.5
83.01393	7.3
85.02953	34.0
87.00871	8.8
89.02453	4.6
91.00280	1.5
97.02959	9.6
99.04520	41.6
101.02448	9.7
113.02451	4.4
115.04017	34.7
116.04401	2.1
117.05587	52.3
117.06420	3.2
118.17927	1.6
128.91296	1.7
131.03500	14.9
134.94548	1.5
137.58337	1.6
143.03503	70.4
158.64139	2.2
160.84212	6.7
161.04564	100.0
162.04886	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	157.0507
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03448	0.7
59.01370	1.1
68.99824	1.0
69.03459	0.8
71.01382	1.8
71.60355	0.4
73.02969	0.5
84.99308	0.7
85.02941	0.7
85.06551	0.4
87.00886	1.2
89.85316	0.3
95.01383	0.4
95.05069	0.6
97.06602	0.5
97.93140	0.5
99.00877	1.5
111.00866	1.1
113.06094	100.0
114.06430	3.9
114.93396	0.6
115.00420	1.1
127.00388	5.6
139.00406	0.9
139.07632	0.8
144.93683	0.4
144.94923	0.4
156.89465	3.4
157.01442	1.0
157.05075	8.9
157.08711	3.8
157.12358	5.6
158.08246	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	158.9944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.6
61.98838	1.0
68.99823	0.8
69.03486	0.9
70.19443	1.0
70.19844	1.5
70.99606	26.2
71.01393	3.0
73.02957	4.1
83.01366	0.8
85.01131	0.9
85.02972	1.5
87.00890	2.6
97.01180	1.0
97.06606	1.5
97.98264	1.0
99.00874	0.8
99.02748	1.6
99.92587	4.0
101.02436	1.8
108.21162	0.6
111.00868	2.7
113.00670	5.6
113.02466	1.3
113.09742	0.8
113.92657	1.0
114.94929	1.4
115.07623	1.1
116.92867	11.0
117.92884	0.9
125.00680	1.1
129.01939	2.9
130.99951	23.8
131.01711	1.9
132.00299	0.7
140.98401	0.6
143.97098	100.0
144.97389	3.3
158.89334	2.6
158.93913	1.1
158.99442	26.9
159.03009	3.7
159.04214	0.6
159.06645	0.9
159.10240	1.0
159.89421	3.0
159.99715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0663
Annotation	Methyl glutarate
Peak:m/z	Relative Intensity
55.01866	5.6
57.03457	9.1
59.01387	16.5
61.08137	1.7
68.99829	3.8
69.03447	3.9
69.91142	6.8
69.91552	2.8
71.01383	21.6
71.86635	1.4
72.99303	3.9
73.02954	34.9
75.00879	4.6
79.95744	2.5
81.95308	2.6
83.01398	7.4
83.05002	2.1
85.02959	12.1
85.06629	1.8
87.00879	19.3
87.04529	2.6
95.01373	2.3
97.02942	4.5
97.06580	7.7
97.13139	1.8
99.00884	10.9
99.04517	5.7
99.92566	9.5
101.02441	20.4
111.00880	18.8
113.02464	7.8
113.09765	2.6
114.94939	3.7
115.07650	3.5
116.05048	2.4
116.07185	2.4
116.92874	16.9
117.07520	8.2
117.92870	2.0
127.04013	100.0
128.04335	1.7
129.01956	16.4
141.05606	2.8
141.86716	1.7
158.89301	12.2
159.02998	34.1
159.04417	3.0
159.06703	9.9
159.10332	3.7
159.89392	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	160.0615
Annotation	3-Amino-2,3-dideoxy-scyllo-inosose
Peak:m/z	Relative Intensity
55.01882	1.7
57.03452	5.7
58.00606	1.0
58.02978	100.0
59.01381	17.7
59.03301	1.3
60.01738	0.6
63.96247	0.6
68.12515	0.5
69.03470	1.5
70.02975	2.7
71.00987	1.3
71.01383	20.9
71.01759	1.2
71.05024	4.8
71.60081	1.0
72.04552	1.6
72.99319	2.6
73.02950	13.4
74.02476	25.7
75.00883	2.3
81.03468	3.2
83.01387	6.5
84.04553	9.6
84.59362	0.6
85.02954	21.4
86.06118	2.3
87.00884	9.1
87.04514	0.5
88.04044	39.2
89.02442	3.4
95.01359	0.7
97.02969	2.0
98.02482	8.3
98.06121	5.8
99.00884	1.8
99.04513	6.7
100.04051	1.5
101.02444	13.2
112.04076	1.9
113.02444	4.3
114.05619	14.1
116.03541	4.5
116.05402	3.7
117.05574	1.6
118.05112	18.5
125.02470	0.6
130.05104	9.2
131.03511	7.5
142.05101	6.1
143.03513	2.0
154.25188	0.7
158.04646	0.7
159.89366	4.2
160.06155	40.2
160.89287	3.2
161.02498	0.8
161.04573	14.8
161.06546	1.0
161.08139	0.8
170.78784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.7
59.01379	5.0
59.33584	0.8
63.96249	1.9
71.01382	3.8
71.51191	1.4
73.02946	4.7
76.95232	2.4
81.03465	1.6
83.01367	1.7
85.02958	6.6
87.00861	1.3
89.02429	1.1
99.02760	12.2
102.96838	1.5
113.02458	1.3
115.02210	1.1
115.92067	2.0
127.02242	100.0
128.02556	2.0
131.03502	2.6
137.11409	1.0
160.84174	2.1
160.89172	1.0
161.00996	25.4
161.04507	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	154.9844
Annotation	2-(Methylthio)ethanesulfonate
Peak:m/z	Relative Intensity
55.01868	1.4
58.74855	0.3
60.80381	0.4
63.96241	22.4
69.03445	1.1
70.14453	1.8
71.89384	0.4
73.02959	0.4
75.02739	19.2
79.95740	100.0
80.96520	46.8
81.03466	1.9
83.01393	0.7
83.05032	0.6
89.00683	0.4
99.00890	0.8
105.00140	0.4
112.93750	1.3
125.02500	0.4
127.00352	0.5
137.02454	0.4
140.01173	0.4
146.99399	0.3
154.98430	44.8
155.86620	0.8
155.98657	1.1
156.06635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0351
Annotation	(4R,5R)-4,5-Dihydroxycyclohexa-1(6),2-diene-1-carboxylate
Peak:m/z	Relative Intensity
54.08654	2.7
55.01874	20.0
57.03452	6.2
59.01381	5.4
67.01910	7.8
68.99837	6.0
69.03450	13.0
69.70937	15.4
70.56004	2.5
71.01407	6.8
71.05032	8.9
75.22164	2.4
81.03485	7.7
83.01402	22.4
83.05025	51.8
84.00944	2.9
84.04559	3.2
85.02972	8.3
86.20728	3.0
87.00906	2.6
87.49207	3.0
93.03480	11.4
95.01414	2.8
97.94947	2.8
98.00090	3.0
99.04522	25.6
99.92599	5.3
109.02980	4.3
111.00896	11.6
111.04515	40.7
111.05198	4.1
111.08178	4.0
112.01645	3.2
113.02452	9.2
114.05630	14.3
124.98845	3.9
127.00338	15.7
127.04005	23.6
127.04858	2.9
137.02469	7.1
140.00165	3.1
140.01189	12.6
154.99930	15.0
155.03554	100.0
155.07114	4.0
155.10818	3.4
155.86594	13.3
156.03888	2.9
156.06715	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	153.0194
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
65.03964	0.5
69.03465	0.3
69.71451	1.0
73.01181	0.3
79.95744	0.3
80.02695	0.2
81.03463	2.3
89.00664	0.2
91.01900	1.4
98.20678	0.2
108.02174	7.8
109.02953	100.0
110.00084	0.5
110.02537	0.2
110.03288	4.0
118.96275	0.8
125.02464	0.6
137.99557	0.5
138.03378	0.6
139.02649	0.2
153.01936	35.9
153.86859	7.0
154.02332	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	153.0194
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
54.90828	0.4
58.37751	0.4
65.03967	19.6
66.04300	0.4
67.01894	9.4
71.38010	0.7
91.01897	6.7
109.02954	100.0
110.03291	3.9
128.14227	0.4
129.43900	0.4
135.00887	33.2
136.01225	1.4
153.01939	65.2
154.02249	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	153.1286
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
55.01871	1.3
60.38068	0.8
65.03965	1.3
67.01912	0.9
69.03463	3.0
70.43452	3.1
71.05018	3.6
81.03453	2.7
82.02979	1.0
83.01397	1.2
83.05037	1.5
90.06405	0.9
95.05020	1.5
97.02985	1.1
97.06595	28.6
98.06932	1.0
98.19980	1.2
99.08157	10.6
108.02167	3.1
109.02203	2.0
109.02954	38.9
109.06617	1.7
110.00094	2.7
110.03300	1.5
115.80124	0.9
118.96268	1.6
124.04047	1.5
125.02444	2.2
125.09698	0.9
137.09712	3.6
137.99608	3.9
151.11246	1.7
153.01952	12.6
153.05652	1.7
153.12856	100.0
153.86862	42.8
154.05075	1.2
154.13197	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	152.9686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39866	0.3
54.40173	0.3
69.06758	0.5
69.50472	2.8
70.99612	4.3
73.01172	72.1
74.01120	0.5
74.01507	1.3
79.95737	100.0
80.96516	20.8
81.03466	0.5
89.00669	20.8
93.65314	0.4
98.20633	0.7
109.02950	5.2
110.00076	0.6
125.02500	0.7
136.45805	0.4
137.99611	0.8
138.15376	0.4
152.96851	18.0
153.01927	2.5
157.99094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.9686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14591	0.3
52.87231	0.3
58.69554	0.5
63.96231	0.5
65.95781	0.4
69.03442	0.4
70.44449	0.9
70.99608	7.0
73.01171	95.2
74.01137	0.5
74.01492	1.7
78.42159	0.3
79.95737	100.0
80.78125	0.3
80.96516	23.0
81.03451	0.9
83.01344	0.5
86.99112	0.8
89.00668	19.1
95.93498	0.4
97.02933	0.8
98.19926	0.5
98.47971	0.4
100.36403	0.3
108.02187	1.2
109.02952	11.4
110.00089	2.1
116.80026	0.4
123.00900	0.4
123.04506	0.7
124.04018	0.6
125.02474	1.4
129.02129	0.4
135.04443	0.6
137.99588	2.7
152.96855	20.5
153.00565	0.5
153.01920	5.8
153.03090	0.5
153.05571	0.9
153.86868	1.4
153.97044	0.5
154.05099	0.5
158.26624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.9687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57677	0.3
63.96243	0.4
64.49402	0.3
65.92286	0.3
65.95819	0.4
69.03462	0.5
70.93591	0.8
70.99613	3.3
71.57505	0.3
73.01173	54.7
74.01505	0.9
76.97037	0.4
79.95739	100.0
80.95744	0.3
80.96518	8.0
81.03452	1.0
81.46698	0.3
89.00671	15.8
89.02486	0.4
90.01009	0.6
90.65630	0.3
97.02938	0.6
108.02175	0.5
109.02958	7.1
110.00127	1.8
125.02425	1.1
134.99284	0.5
137.99591	1.6
152.96863	15.5
153.01944	3.2
153.05544	0.4
153.86882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66648	0.6
57.97559	8.8
63.96251	0.9
65.00319	1.0
66.03481	4.1
67.05190	0.7
68.99821	1.0
69.03465	1.5
69.39500	3.0
69.39927	2.9
69.95715	0.7
70.41897	0.8
71.05136	0.7
72.99329	0.7
74.99129	0.9
79.95744	1.2
80.05093	0.9
80.96522	1.8
81.03454	3.2
81.07059	1.2
83.01387	1.1
89.00674	2.0
96.00400	1.2
96.99930	4.2
97.02943	1.3
98.19907	1.5
108.02183	3.6
108.04539	2.8
108.05244	0.6
109.02957	33.2
109.06600	1.1
110.00092	4.1
118.06625	1.1
120.04846	0.7
122.03738	1.7
123.01556	3.9
123.04494	0.9
124.04061	1.2
124.04852	1.0
125.02425	3.0
125.03165	1.6
135.04538	0.8
135.08128	0.8
136.02277	2.3
137.03047	100.0
137.99585	4.0
138.03383	4.6
150.03807	0.9
151.00365	1.5
151.04561	2.2
152.01173	0.9
152.03519	5.9
152.05396	55.7
153.01927	15.4
153.05672	4.4
153.09256	0.9
163.74741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18158	0.7
56.40115	0.7
57.97564	9.6
58.33373	0.8
62.25771	0.7
63.96220	1.3
65.00314	1.5
65.03936	1.2
66.03492	9.1
68.99800	1.3
69.03440	1.7
70.63863	1.8
70.64258	1.8
70.99596	1.0
71.01367	1.6
72.99274	0.7
73.01154	3.1
79.95742	5.4
80.96503	1.0
81.03448	4.7
82.02953	0.8
83.01369	1.6
83.05026	0.9
89.00655	3.5
91.01908	0.9
95.01357	1.2
96.00372	1.1
96.99928	4.8
97.02926	1.1
107.01396	0.8
108.02181	8.0
108.04551	2.7
108.05370	1.0
109.02956	72.8
109.06573	2.1
110.00114	5.7
110.02506	1.2
118.96301	6.8
120.08166	1.3
122.03715	2.7
123.01579	3.6
123.04565	1.6
124.01581	1.3
124.04016	1.1
124.04835	1.4
124.98850	0.8
125.02314	4.1
125.03194	1.5
134.99309	0.8
135.04524	1.9
136.02267	2.2
137.02086	4.9
137.03046	100.0
137.99605	7.9
138.03409	4.9
150.03929	1.0
151.00357	2.1
151.04639	1.3
151.87415	4.5
151.99922	0.9
152.01131	2.5
152.03508	7.5
152.05400	57.3
153.01941	27.7
153.03828	1.0
153.05627	6.0
153.09222	1.6
153.86835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97563	9.2
63.86196	0.6
63.96268	0.6
65.00329	0.8
65.93260	0.6
65.93615	0.7
66.03495	3.5
69.03484	0.6
70.41611	1.7
70.41974	0.9
73.01179	2.4
77.15094	0.6
79.95731	3.4
80.96507	0.9
81.03462	1.5
89.00679	2.2
90.94203	0.8
96.00385	1.5
96.99895	4.8
97.02976	0.9
98.00742	0.9
104.93778	0.6
108.02169	3.1
108.04563	1.6
109.02957	24.7
110.00084	2.9
113.38461	0.6
120.08163	0.9
122.03780	0.8
123.01524	4.3
125.02337	1.6
125.03099	2.4
132.95187	0.6
136.02271	1.4
137.03049	100.0
137.99596	2.6
138.03416	4.1
150.03752	0.9
151.00360	0.7
151.04608	1.2
151.87440	1.8
152.03442	2.9
152.05396	54.1
152.96834	0.8
153.01930	10.3
153.05652	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	152.054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97562	9.4
63.96264	1.4
65.03963	0.9
65.95834	1.0
66.03487	3.9
66.85445	0.9
70.37457	3.3
73.01170	1.0
79.95747	2.1
81.03442	2.2
83.01387	1.3
89.00687	1.9
96.99927	4.4
97.02949	1.0
108.02161	3.3
108.04554	2.1
109.02958	32.6
110.00067	4.5
122.03764	2.8
123.01493	4.2
125.02345	1.7
125.03124	2.0
136.02287	1.9
137.03052	100.0
137.99612	4.8
138.03375	5.0
142.45531	1.1
150.03798	1.3
151.00342	1.3
152.01146	1.6
152.03589	6.5
152.05394	56.2
153.01927	14.6
153.05649	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	152.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97564	10.5
69.51813	10.3
73.03462	1.3
81.03450	1.6
89.00674	1.5
96.99934	4.6
109.02966	15.0
110.00118	2.3
123.01511	5.8
124.02298	4.3
125.03080	3.9
135.61801	1.3
136.02213	2.3
137.03050	100.0
137.99614	3.1
138.03384	5.4
149.84679	1.3
152.05406	65.0
153.01932	8.5
153.05695	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	152.054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40167	0.8
57.97557	9.8
58.66166	0.9
63.94449	1.5
63.96253	1.7
65.00314	1.9
65.03954	3.5
66.03496	7.3
67.01891	1.5
69.03445	1.7
70.99599	1.2
71.01365	1.1
71.61140	1.2
73.01177	10.4
79.95737	21.6
80.96520	2.9
81.03463	5.4
83.01382	2.7
89.00668	3.7
89.02441	1.7
91.01904	1.3
96.00425	1.0
96.99918	5.2
97.02943	1.7
108.02157	4.1
108.04553	2.6
109.02955	69.7
109.06592	1.5
110.00089	4.0
110.02480	1.0
111.02808	1.0
122.03730	2.6
123.01479	3.6
123.04522	1.2
125.02350	4.5
135.00883	5.8
135.04507	1.5
136.02287	1.8
137.02061	5.7
137.03040	100.0
137.99591	7.2
138.03307	3.4
151.00340	1.9
152.01126	1.5
152.03505	7.4
152.05391	52.3
152.96846	3.9
153.00647	2.0
153.01933	38.1
153.05676	5.6
153.09218	3.7
167.91292	0.9
169.97003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85836	1.7
59.01326	1.7
62.65924	1.5
71.59621	2.1
80.69250	1.5
85.02966	2.3
87.41013	1.8
102.05609	100.0
103.05962	3.9
128.03549	34.9
129.03886	2.3
138.99397	1.6
146.04593	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	149.0455
Annotation	L-ribulose
Peak:m/z	Relative Intensity
50.10002	1.0
58.03417	1.3
59.01369	4.5
69.03445	2.2
69.70229	7.7
69.70573	1.6
71.01386	32.2
73.02948	19.3
87.00881	11.2
89.02444	100.0
90.02757	2.7
92.16802	1.0
95.61597	1.2
103.04009	3.5
117.69294	1.3
131.03516	10.1
149.03481	1.9
149.04559	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	L-ribulose
Peak:m/z	Relative Intensity
57.27767	0.8
59.01378	3.6
60.02127	0.8
62.14826	0.9
69.03452	2.8
70.66972	1.6
70.67302	1.9
71.01383	27.6
73.02948	19.1
87.00877	10.6
87.11719	1.0
89.02448	100.0
90.02766	2.3
101.02428	1.8
103.04037	4.7
110.74953	0.9
131.03510	9.5
132.03891	0.9
149.04559	32.1
150.04884	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	149.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
69.03464	2.3
69.75396	2.9
69.75809	5.2
71.01388	34.5
72.41172	1.4
73.02951	22.7
87.00892	11.4
89.02448	100.0
90.02793	1.8
103.04014	4.0
105.49162	1.3
119.70848	1.3
131.03526	8.7
149.04555	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0608
Annotation	2,4-DIMETHYLBENZOIC ACID
Peak:m/z	Relative Intensity
59.01377	6.8
69.03480	2.8
69.53424	11.0
71.01386	33.7
73.02943	12.4
87.00883	10.9
87.47266	1.5
89.02448	100.0
90.02795	2.7
93.03468	3.4
94.99316	5.8
95.05053	1.5
103.03996	4.1
104.97722	2.1
105.07095	13.2
107.05027	2.3
114.06492	1.5
119.05026	2.4
121.02960	15.1
131.03500	9.8
134.03706	3.5
149.02538	8.0
149.04564	28.2
149.06081	29.9
150.00194	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	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.36964	0.2
59.01381	0.5
60.97523	0.8
63.96244	2.7
66.03484	0.4
67.01871	0.3
68.99784	0.2
69.03458	0.3
69.35724	1.7
71.01377	0.8
72.99324	0.9
76.97034	2.0
79.01907	0.3
79.95747	2.1
80.96513	0.3
82.04746	0.2
85.03000	0.2
87.00868	0.8
89.02455	0.4
93.03483	0.3
95.01398	1.3
95.05020	0.3
96.00924	0.2
97.01426	0.2
97.02943	0.2
101.02463	0.3
107.05019	1.0
108.02180	6.3
109.02997	0.3
122.03741	0.5
123.00891	0.5
123.04514	2.2
124.04912	0.2
132.99664	2.6
136.01668	100.0
137.02003	4.2
137.03017	0.4
151.00696	1.6
151.04012	10.0
151.06047	0.4
151.07643	0.7
152.03423	0.4
152.04422	0.4
152.05423	0.8
161.91559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0143
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
55.01894	4.9
57.03444	10.1
59.01375	10.2
71.01382	48.8
71.59842	6.6
72.99301	5.7
73.02949	11.7
74.02467	5.8
82.31454	4.0
83.01418	5.3
84.04557	11.5
87.00876	28.5
101.02444	29.6
102.05612	100.0
109.04082	7.2
115.00382	20.6
119.56731	3.7
120.35152	3.9
127.00418	6.0
127.05145	5.2
128.03531	41.3
145.01437	10.9
146.04588	11.2
149.50842	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	4.9
57.03444	10.1
59.01375	10.2
71.01382	48.8
71.59842	6.6
72.99301	5.7
73.02949	11.7
74.02467	5.8
82.31454	4.0
83.01418	5.3
84.04557	11.5
87.00876	28.5
101.02444	29.6
102.05612	100.0
109.04082	7.2
115.00382	20.6
119.56731	3.7
120.35152	3.9
127.00418	6.0
127.05145	5.2
128.03531	41.3
145.01437	10.9
146.04588	11.2
149.50842	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	145.0508
Annotation	4-Hydroxy-2-oxohexanoic acid
Peak:m/z	Relative Intensity
57.03454	33.6
59.01373	19.7
59.17074	5.0
71.01376	51.3
71.05025	32.9
71.08942	5.4
71.14864	6.9
73.02946	15.6
74.02481	5.1
75.82665	4.4
76.27800	5.8
81.03433	10.8
83.01388	10.1
83.05030	37.1
84.04544	8.1
85.02960	13.7
87.00883	57.6
99.00858	5.2
99.04516	17.2
99.08137	7.7
101.02373	6.1
101.06091	25.3
101.13713	5.1
102.05618	100.0
102.06250	10.3
113.02449	45.2
115.00362	18.3
117.03468	10.2
118.02978	14.6
127.00343	11.0
127.04002	23.3
127.05080	8.5
128.03571	32.7
144.96474	9.5
145.01411	9.0
145.03009	13.1
145.03999	5.5
145.04991	62.9
145.06909	6.2
146.02480	43.0
146.04622	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	146.0461
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
54.74885	0.7
59.01380	1.3
64.56854	0.7
71.01369	0.7
71.59485	1.3
74.02442	1.0
85.02945	1.7
102.05610	100.0
103.05946	3.2
128.03545	37.2
129.03877	1.7
146.04601	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47733	1.8
53.00293	4.0
54.30975	1.4
55.01870	2.7
56.98041	2.6
57.03455	2.3
59.01377	3.2
61.98829	7.4
66.17317	1.7
68.99803	3.3
69.03448	7.5
70.99614	5.0
71.01379	28.0
71.05054	2.2
72.99317	2.5
73.01167	2.5
73.02927	3.0
74.79280	1.5
75.85867	1.8
78.96822	2.1
81.03453	5.8
83.01379	3.4
83.05011	3.1
85.02937	10.7
85.86210	1.5
87.00875	6.6
87.04525	3.6
95.01337	1.8
96.99315	5.7
97.01184	11.2
97.02962	7.6
99.00871	2.5
99.02702	2.3
99.04546	2.8
99.92584	2.2
101.00682	1.8
109.01157	4.4
112.98792	9.3
113.02469	3.1
115.02253	2.8
116.05004	2.6
122.24861	1.5
124.98813	13.3
125.02464	8.6
127.97606	5.9
140.98282	2.7
142.99933	100.0
143.03528	8.4
143.04988	2.5
143.07123	3.5
143.10785	13.7
143.86534	5.1
143.97084	2.8
144.00275	4.6
144.04561	58.5
144.06598	3.4
145.38499	1.8
149.72025	1.6
161.87566	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	26.5
54.00653	2.8
55.98141	2.9
59.01370	7.8
63.40274	3.3
68.99809	6.3
69.03459	5.1
71.01389	50.4
72.99297	5.2
74.54221	3.0
80.99831	6.1
85.02962	9.1
87.00859	14.9
94.18913	3.0
96.99300	21.7
98.19802	4.5
112.98807	37.2
115.00349	6.7
121.07674	2.9
124.98817	72.5
140.98328	15.8
142.99861	100.0
143.03450	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	143.971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48777	0.8
57.75376	0.8
61.98837	6.5
62.74619	0.8
66.22845	0.8
70.99608	8.9
71.01377	1.4
71.09798	1.9
79.89527	0.8
81.03465	1.7
82.81830	0.9
82.99609	3.7
83.01372	1.4
83.05028	2.8
87.00898	1.4
99.92588	0.9
100.07700	0.9
100.95258	9.7
101.06072	2.4
102.05589	1.0
114.96816	1.3
115.00391	1.0
116.05058	1.4
117.03475	4.0
142.96300	1.9
143.86531	1.8
143.97098	100.0
144.00272	3.6
144.04555	39.8
144.05702	1.0
144.06647	3.4
144.97498	4.4
144.99512	3.0
145.02945	2.1
145.04938	3.6
161.87619	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	139.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	20.3
64.95245	16.2
66.94823	22.5
67.01881	22.3
68.01414	4.9
68.99815	13.4
69.03455	6.6
71.61633	4.3
71.62001	5.0
73.01178	11.2
75.00739	4.4
78.95924	4.0
79.95760	6.1
83.01384	18.9
83.05038	3.6
84.04539	3.8
85.06610	6.6
93.03474	7.5
94.98099	7.5
95.01366	6.8
95.05016	4.7
97.06589	13.6
106.79386	3.9
109.02512	3.9
111.00887	100.0
111.04515	6.6
123.08141	6.0
124.01617	4.4
138.86015	7.1
138.88916	22.8
139.00392	54.5
139.02251	7.9
139.03993	21.8
139.04944	5.2
139.11330	33.8
140.03531	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	140.0719
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
53.99717	0.6
55.01873	1.8
59.01386	1.0
59.07999	0.8
59.96452	0.6
67.01874	1.4
68.99821	2.6
69.03462	3.3
69.95386	1.7
69.95805	2.1
70.14951	0.6
71.01409	1.3
81.74476	0.9
83.01427	0.9
85.02949	3.7
95.01382	2.9
97.02960	2.5
98.20544	0.8
99.00900	2.0
111.00877	2.7
113.02425	2.1
123.00886	1.6
125.99581	0.9
136.91682	0.8
140.07179	100.0
141.01958	6.4
141.05615	0.8
141.07532	5.4
144.31525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	26.1
59.01370	5.8
64.70965	3.7
68.99822	4.6
71.01382	46.8
71.01792	4.1
71.01922	3.1
71.29678	5.0
71.60029	3.5
72.99281	3.9
80.99819	7.8
87.00868	12.3
96.99319	38.2
112.98811	30.9
115.00350	4.0
122.55165	3.5
124.98812	75.1
140.98291	14.4
142.99870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	25.1
53.00515	4.9
53.15280	4.4
59.01369	7.4
68.99821	7.2
69.86365	20.9
70.42732	3.8
71.01382	50.9
80.99805	6.7
85.02939	3.8
87.00869	14.4
94.39461	4.3
96.99307	31.2
97.99710	4.1
105.24972	4.5
112.98814	40.9
115.00316	4.3
115.72943	4.5
124.98807	69.3
140.98276	11.2
142.99866	100.0
146.71384	4.0
159.21208	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	137.0245
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.96333	0.2
62.72338	0.2
64.95261	0.4
65.03965	1.2
71.09163	0.2
71.09476	0.2
86.80337	0.2
93.03458	100.0
94.03795	5.2
99.92592	0.4
100.13684	0.2
100.35374	0.2
108.02145	0.3
136.01622	0.2
136.86264	0.3
136.89172	7.5
137.02443	15.1
137.51472	0.2
137.89224	0.8
138.01884	0.3
138.02785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.9895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
67.01884	2.0
68.99815	0.7
69.75951	3.1
75.02729	2.9
75.98107	0.6
77.00466	0.6
79.95731	2.2
83.01404	1.7
94.98099	0.8
95.93460	100.0
96.93424	1.2
96.94234	5.3
97.93064	0.8
104.79543	0.5
111.00880	6.4
115.47725	0.5
138.98936	25.8
139.00375	2.6
139.04010	1.0
139.99345	0.6
140.03596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.9895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
63.96255	0.5
67.01884	0.9
69.32546	2.3
69.32973	1.1
75.02741	1.9
79.95721	1.8
83.01392	0.6
84.67666	0.3
93.62045	0.4
95.01407	0.5
95.93458	100.0
96.93398	1.4
96.94236	3.9
111.00882	3.6
116.22225	0.3
131.94760	0.4
138.98938	28.8
139.00322	1.7
139.04028	0.9
139.99179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.01
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98874	1.2
63.94465	36.4
63.96229	2.4
64.95245	17.6
65.03953	2.1
69.25605	1.0
69.68964	7.2
73.00037	1.0
73.01180	7.7
78.95892	2.0
81.03443	2.2
93.03459	75.6
94.02991	1.5
94.03802	3.2
95.93461	1.4
99.92599	7.2
101.92425	1.4
104.98395	14.4
108.02184	8.2
109.02957	5.0
110.02425	1.7
122.43097	1.0
129.15642	1.1
134.86613	1.1
136.01662	5.5
136.86310	7.1
136.89180	100.0
137.02448	54.4
137.03336	1.2
137.89169	10.2
138.01939	8.7
138.02838	1.7
138.05550	1.7
139.54366	1.2
153.54295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94463	22.1
63.96236	2.6
64.95258	13.1
65.03969	1.9
65.99855	1.1
66.21730	0.8
67.01894	0.7
69.72585	5.1
73.01165	3.9
78.95907	3.1
81.03452	2.7
93.03461	100.0
94.02985	1.7
94.03784	4.8
95.93469	3.0
98.19886	1.7
99.92582	6.7
104.98384	10.4
108.02179	13.3
109.02960	5.9
110.02518	1.1
111.98798	0.8
119.01360	0.8
123.03304	0.9
133.31606	0.7
136.00630	1.4
136.01651	8.1
136.86308	16.1
136.89182	79.1
136.97357	3.0
137.02449	75.9
137.89186	7.2
138.01947	14.9
138.02820	2.3
138.05551	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	136.9736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36468	0.7
61.75255	0.7
63.96236	11.4
64.97032	0.7
70.05160	3.3
73.01173	45.2
74.01509	1.1
74.99087	2.2
79.93954	1.7
79.95741	2.1
80.63020	0.8
89.00639	0.9
93.03464	6.2
94.02955	0.9
95.93457	100.0
96.93379	1.4
96.94260	4.3
116.38607	0.7
136.97368	64.1
137.02441	5.8
137.97626	2.0
146.44940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.9738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00222	0.7
63.96238	12.9
64.97006	0.9
65.03954	1.0
70.62828	2.0
72.54881	0.8
73.01172	39.4
74.01531	1.1
74.99086	3.5
79.93951	2.4
79.95685	1.5
89.00703	1.0
93.03458	33.9
94.02983	1.9
94.03799	2.2
95.93456	100.0
96.93348	1.9
96.94227	4.7
103.54919	0.9
108.02168	5.0
109.02950	3.3
123.03371	0.9
136.01675	2.8
136.89203	1.9
136.97369	70.0
137.02451	24.2
137.97656	1.8
138.01979	4.0
138.02873	1.4
138.05624	2.0
158.77139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
69.97327	2.0
69.97735	3.4
71.01384	81.6
72.01717	2.5
72.99309	21.6
87.00861	1.2
87.53164	1.2
89.02427	7.4
115.00376	100.0
116.00721	4.8
133.01436	18.2
141.76633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
52.71127	1.1
54.04166	1.0
57.24393	1.1
59.01360	1.6
63.35783	1.1
65.00319	2.4
71.01385	76.5
71.13147	1.2
71.60787	1.7
72.99308	16.9
77.03963	14.1
77.56983	1.1
80.72913	1.3
87.00878	3.6
87.04523	1.6
88.49072	1.2
89.02446	7.9
89.03974	5.1
93.03462	2.9
95.05029	19.7
96.05418	1.3
104.02671	1.8
105.03462	47.6
106.03786	2.1
107.03638	1.7
115.00376	80.4
116.00734	3.8
121.02982	2.9
123.04540	5.1
132.02173	21.3
132.86786	7.0
132.90010	1.9
133.01491	17.4
133.02962	100.0
133.05084	5.2
134.03699	16.3
134.04767	3.0
137.91266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0374
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
53.70343	1.2
57.24554	1.3
70.99606	18.2
72.01727	3.4
75.00877	2.8
78.04267	1.4
87.27864	1.4
91.05526	2.2
93.03459	3.3
99.92582	1.8
101.05787	1.2
104.99593	1.2
106.03703	2.5
106.04315	2.9
107.03652	2.7
107.05021	12.1
116.00694	4.5
117.03474	1.9
127.55545	1.3
133.02937	4.5
134.03807	38.3
134.04724	6.3
134.86562	12.6
134.89482	42.5
135.04529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Adenine
Peak:m/z	Relative Intensity
59.62591	0.6
65.01440	0.8
69.89212	3.2
75.00875	0.7
85.43018	0.6
92.02548	8.6
93.02853	0.7
98.19816	0.6
107.03642	36.4
108.03993	1.2
116.00673	1.0
117.76439	0.6
134.04736	100.0
135.04337	1.3
135.05096	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	130.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	1.7
71.01386	4.2
71.17244	4.2
73.02955	10.5
83.31929	1.7
84.08204	1.9
108.20709	1.8
130.08742	100.0
131.09090	4.7
141.11922	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01377	2.1
62.63335	0.6
70.72315	1.7
71.01384	77.7
72.01714	2.4
72.99306	20.2
87.00886	1.8
89.02453	7.7
110.55119	0.7
115.00375	100.0
116.00732	2.9
122.98635	0.8
133.01425	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17696	1.4
55.01878	17.5
57.03449	3.8
60.94368	1.6
63.10933	1.3
67.01884	4.1
70.99612	1.5
71.32442	1.9
71.32799	2.6
73.01174	15.6
73.02946	1.9
83.05052	2.0
85.02956	8.1
88.04059	7.4
101.00668	100.0
101.02459	2.3
102.01011	4.1
112.90614	2.3
114.01476	1.7
128.90155	12.0
129.00165	22.1
129.01904	5.2
129.03819	2.9
130.08731	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	129.0559
Annotation	ethyl 4-oxobutanoate
Peak:m/z	Relative Intensity
55.01871	12.1
57.03440	16.0
57.08652	7.6
59.01384	9.6
61.61555	8.2
62.93004	7.8
67.01891	24.6
70.93919	25.2
71.01366	16.3
72.99296	13.4
73.02940	14.3
83.01400	11.1
85.02949	27.4
88.04053	20.5
97.07160	9.3
101.02461	10.8
128.90178	31.5
129.01970	32.0
129.05562	41.2
130.08745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
51.76738	12.4
51.78319	13.0
55.01861	14.9
59.01390	19.1
66.91608	14.5
67.01904	18.6
67.57558	12.3
69.67233	69.2
71.01383	18.0
85.02958	23.0
85.06570	14.3
86.99770	13.5
88.04043	37.8
88.45444	14.1
98.20520	17.0
128.90169	34.4
129.01952	44.2
129.05577	62.8
130.08755	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	127.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
57.40191	2.3
58.99593	3.6
69.85068	12.1
81.03443	5.4
98.20671	2.6
99.02746	65.8
100.03104	2.6
111.99862	9.4
126.90462	13.7
127.00358	3.4
127.02238	100.0
128.02628	2.8
128.03552	7.0
133.40228	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	127.0403
Annotation	Osmundalactone
Peak:m/z	Relative Intensity
53.15170	4.6
53.64180	4.3
55.01869	19.9
56.31189	4.9
57.03448	6.3
57.97545	7.9
64.30561	5.5
71.01385	34.2
71.05029	7.8
79.95733	22.3
80.96504	8.2
81.03474	12.4
82.02978	5.0
83.01389	37.1
83.05031	20.7
85.02950	21.3
85.04048	4.8
98.19762	10.4
99.00887	29.0
99.04525	12.3
107.76560	5.0
109.02950	8.3
110.90838	6.3
112.99411	12.4
126.90446	81.8
126.95209	5.6
126.99490	9.6
127.00360	100.0
127.04024	30.6
128.03528	50.2
128.07211	24.1
128.63654	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	120.9965
Annotation	3-Mercaptolactate
Peak:m/z	Relative Intensity
63.96227	1.1
66.71362	0.4
69.54495	0.4
71.53911	0.7
72.23408	0.5
74.59538	0.4
76.97043	0.7
78.83434	0.4
79.95737	100.0
80.96515	2.8
84.92918	0.4
93.03506	0.6
94.02998	4.4
113.50704	0.4
120.99657	85.5
121.02958	14.4
122.00086	2.3
122.02486	2.7
122.03267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0453
Annotation	Orcinol
Peak:m/z	Relative Intensity
50.66143	0.5
57.51443	0.6
71.76256	0.5
71.80866	0.5
80.02674	9.7
95.01402	0.9
98.20643	1.3
108.02176	100.0
108.38781	0.5
109.02520	5.7
109.62859	0.5
123.04523	17.8
124.04837	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	126.9531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
58.02974	0.8
60.35561	0.3
63.96236	6.3
69.39632	1.8
69.40053	1.1
71.01398	1.3
79.95739	100.0
80.96519	72.4
81.96435	0.5
82.43947	0.3
83.01402	0.7
86.06174	0.3
98.19888	0.6
99.00916	0.9
100.07675	0.5
112.35404	0.3
112.40177	0.3
113.50115	0.4
126.90511	2.2
126.95303	35.6
127.00368	1.8
127.04048	0.4
127.95213	0.6
128.03552	4.0
128.07182	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	126.9531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
58.02974	0.8
60.35561	0.3
63.96236	6.3
69.39632	1.8
69.40053	1.1
71.01398	1.3
79.95739	100.0
80.96519	72.4
81.96435	0.5
82.43947	0.3
83.01402	0.7
86.06174	0.3
98.19888	0.6
99.00916	0.9
100.07675	0.5
112.35404	0.3
112.40177	0.3
113.50115	0.4
126.90511	2.2
126.95303	35.6
127.00368	1.8
127.04048	0.4
127.95213	0.6
128.03552	4.0
128.07182	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	119.0351
Annotation	D-Erythrose
Peak:m/z	Relative Intensity
50.07737	2.8
55.01868	6.8
59.01387	24.7
59.84067	3.0
69.39315	23.1
71.01386	82.6
72.99322	15.5
73.02953	96.4
74.03282	6.1
75.03364	18.4
87.00870	19.5
88.81946	2.8
89.02434	6.3
99.00873	4.2
101.02456	8.7
119.02630	3.4
119.03506	100.0
119.05033	16.3
119.87227	3.4
120.03822	4.0
120.05481	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
54.85343	0.6
55.98015	0.8
59.01365	1.5
69.25859	3.8
69.26289	2.8
91.05535	1.2
93.03463	4.6
98.20630	1.6
99.92603	0.6
101.92431	2.8
103.37057	0.6
117.44816	0.7
118.92640	6.8
118.93422	1.0
119.05027	100.0
120.04541	1.0
120.05353	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	119.0504
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
52.02306	0.2
54.68275	0.3
55.97092	0.2
59.01371	0.5
60.57194	0.3
65.03950	0.3
69.50352	1.8
71.01385	0.3
80.05006	0.3
91.05547	1.5
93.03468	4.4
101.92422	0.8
111.79615	0.2
117.03451	0.8
118.92641	1.7
119.05030	100.0
120.05360	7.9
135.06396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.9788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97054	0.4
58.31944	0.4
58.96269	0.4
58.99598	0.5
61.98820	1.1
63.94464	1.0
63.96244	2.5
64.95242	2.8
66.03487	3.3
70.93454	1.0
70.99599	1.3
72.01146	0.4
73.01183	4.7
76.95255	1.5
78.84918	0.4
79.93964	100.0
79.95753	3.2
80.93893	1.4
86.99117	1.2
89.00677	2.0
91.01888	0.5
93.03455	2.9
94.02984	21.9
94.72908	0.4
95.01379	0.8
108.02174	2.1
110.44296	0.4
117.81463	0.4
120.97885	9.9
120.99652	1.7
121.02956	59.3
122.02482	16.8
122.03300	3.2
122.06071	0.4
138.08968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.3
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.2
85.02957	3.4
87.00874	0.6
91.24602	0.1
95.01402	1.2
99.00888	1.1
101.02406	0.1
103.00392	0.3
107.01392	0.6
109.02956	0.1
113.02453	4.0
115.00373	0.3
117.01959	0.3
125.02454	0.7
129.01941	0.3
129.22855	0.1
132.02179	0.2
133.01434	0.3
133.02965	0.2
134.03737	0.1
135.00894	0.2
137.02409	0.1
137.95667	0.1
151.00377	2.7
153.01930	0.6
160.01627	0.3
161.02409	0.1
163.00343	0.2
164.01195	0.1
165.01978	0.2
169.01411	0.4
171.04509	0.3
175.02466	2.1
175.04013	0.5
178.99864	0.7
181.61879	0.1
183.04538	0.1
189.01900	0.3
190.02785	0.1
193.01448	0.1
193.05019	0.2
199.03990	1.6
200.04622	0.2
201.01962	0.5
203.03539	0.3
204.04245	0.7
205.05014	0.2
213.29533	0.1
215.03488	1.5
216.04134	0.1
217.05032	0.2
226.02704	0.3
227.03502	2.1
227.88113	0.1
228.04059	0.2
229.01462	0.3
242.02213	3.9
243.02974	26.7
244.03276	1.3
255.03143	0.5
256.03769	0.1
257.04559	8.0
258.05017	0.5
270.01709	6.6
271.02469	25.9
272.02847	1.5
273.04028	0.2
283.02469	0.2
284.03406	0.3
285.04047	16.4
286.01462	0.2
286.04752	4.7
287.05222	0.2
299.02005	7.1
299.05438	0.3
300.02725	4.4
300.05679	0.1
301.03223	0.4
313.03613	0.2
313.07239	0.2
314.04324	51.7
315.04990	10.3
315.08881	0.3
316.05438	0.5
327.05328	0.3
328.05893	0.3
329.06601	0.4
337.13800	0.2
342.03870	0.2
356.05426	0.4
357.06116	1.8
369.06110	0.2
477.10382	100.0
478.10699	6.7
490.06989	0.1
491.08228	0.5
519.11353	1.8
549.12451	0.5
559.16132	0.2
653.13605	40.2
654.13916	3.4
661.79578	0.1
679.21185	0.4
815.18103	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	120.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45204	0.4
63.96240	1.5
63.97170	0.4
69.52422	0.4
71.59875	0.7
76.97038	1.3
79.95738	100.0
80.95683	0.5
80.96530	1.7
93.03464	0.9
94.02998	3.1
97.51555	0.4
98.19974	0.4
120.99656	83.2
121.02956	15.4
122.00043	2.3
122.02479	2.3
122.03316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.64
Annotation	Unknow
Peak:m/z	Relative Intensity
87.55113	0.2
90.67855	0.2
96.96960	1.5
134.98581	0.3
150.98029	0.5
152.99586	28.5
153.99933	0.4
159.57811	0.2
171.00677	1.1
188.12073	0.2
227.03255	3.0
233.22789	0.6
245.04358	1.1
259.20694	0.6
275.20245	0.6
277.21710	66.1
278.22067	4.6
413.20996	0.4
505.25708	100.0
506.26022	7.8
506.33557	0.4
929.24725	0.3
937.76599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.35492	0.3
69.84041	0.4
71.01382	0.5
71.12498	0.6
73.02948	100.0
74.03278	4.0
88.03101	0.4
99.00877	7.9
99.92578	2.8
99.94949	0.4
100.92609	0.5
109.46612	0.4
116.92871	5.9
117.01937	12.7
117.92896	1.0
127.47795	0.4
133.97812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
50.51855	0.4
55.01884	0.6
55.50189	0.4
59.28569	0.3
70.95007	1.2
73.02949	100.0
74.03278	3.3
99.00890	8.1
99.92601	1.6
100.01228	1.0
105.16824	0.4
116.92857	5.0
117.01942	13.2
117.92890	0.7
118.02258	0.4
122.65900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24661	1.9
65.19514	1.8
70.00153	1.7
70.32438	6.6
71.01386	100.0
72.01738	2.5
87.00890	4.0
114.93375	3.1
115.00399	9.5
116.07168	3.6
130.72826	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	1159.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02934	2.3
87.00858	3.5
89.02438	1.2
101.02421	5.2
108.04593	0.7
113.02443	1.7
122.06121	0.9
132.04555	1.7
134.03702	0.8
136.07677	1.6
155.10152	0.9
161.04512	0.7
166.25783	0.8
196.06326	1.4
200.09544	2.2
210.07661	0.9
211.08733	5.8
212.05894	1.1
212.09302	1.1
213.10147	0.9
214.11023	1.2
215.09686	1.1
215.11870	18.3
216.12169	0.9
221.07057	1.2
222.08006	0.8
224.09482	7.4
225.06618	2.9
225.10019	0.8
226.05139	0.8
226.11089	0.9
227.08183	0.9
227.11899	4.0
229.13429	9.1
234.07776	0.7
236.05696	0.9
237.06720	2.6
237.10284	3.6
238.08966	0.9
239.08255	12.0
239.11848	16.8
240.08806	0.9
240.12292	0.9
241.09778	1.6
242.10532	1.5
243.11363	1.8
247.08791	2.6
249.06609	1.4
249.10292	3.2
251.04529	1.3
251.08273	3.2
252.08968	10.8
253.06247	1.7
253.09529	1.9
254.88890	0.8
255.11450	1.4
256.12088	2.6
257.12961	30.9
258.13107	1.8
261.06610	1.0
262.07431	2.8
263.08298	4.4
264.05536	0.8
265.06259	2.9
265.09799	11.8
266.08066	0.9
267.07819	3.7
267.11371	29.6
268.11627	1.8
269.12885	3.0
273.06189	1.2
275.08228	8.1
276.08914	1.5
277.06268	2.8
277.09811	9.8
278.06897	4.6
279.04587	1.5
279.07767	7.3
280.05118	0.8
280.08466	2.1
281.05887	2.6
283.10962	0.9
285.12451	1.2
291.07706	8.6
292.08411	1.8
293.09317	34.3
294.09695	2.8
295.10864	28.0
296.11188	0.9
297.08667	1.1
305.70969	0.8
306.06470	3.9
309.08847	1.4
311.10382	15.3
312.10675	1.3
313.11984	1.3
319.07367	4.1
319.10748	0.8
320.07712	1.0
321.08768	10.9
337.08328	2.3
339.09512	1.0
353.11301	1.8
385.63666	0.9
413.13062	0.9
505.18729	1.0
509.17990	1.0
517.19031	1.3
519.20270	1.0
520.17596	0.9
533.17883	4.0
535.19910	4.5
536.20361	1.0
537.21448	1.5
543.20551	0.9
545.18280	1.2
546.18958	2.6
547.19714	1.1
559.19843	3.4
560.20172	1.0
561.17493	2.0
563.19495	2.6
574.18774	1.2
575.19464	1.6
576.20233	1.5
577.20648	2.2
587.19647	1.5
595.22028	1.7
605.20203	2.2
663.20844	1.9
739.26184	2.1
741.27405	2.3
757.26947	1.8
759.29004	7.1
760.28998	1.1
767.25879	1.2
775.27948	1.7
785.26764	19.6
786.26514	4.0
803.27747	5.3
817.29333	9.3
818.29626	1.4
834.28021	0.9
835.30322	16.9
835.44879	1.4
836.30792	3.1
877.30634	1.0
905.30603	3.9
937.33893	2.4
1109.37012	13.2
1110.37927	2.0
1127.38367	100.0
1128.38806	21.5
1141.39966	5.3
1142.39685	2.5
1159.40955	57.0
1160.41370	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
51.40269	1.9
59.70541	1.9
67.66038	1.9
69.59768	13.8
71.01384	100.0
72.01717	4.5
87.00864	3.5
115.00388	10.2
116.07172	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	1135.7111
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	3.2
83.01384	3.1
83.05026	6.7
85.02953	2.0
87.00874	0.3
89.02436	1.3
95.01373	0.4
97.02948	0.3
98.20605	0.2
99.00871	0.4
100.07673	0.1
101.02445	8.7
105.54603	0.1
107.06161	0.2
108.04580	0.3
113.02449	3.9
119.03490	1.1
125.02449	0.5
125.07203	0.5
131.03496	0.9
141.04884	0.1
143.03500	1.2
143.08237	0.3
149.04550	1.8
149.82983	0.1
155.03502	0.3
161.04558	4.1
179.05637	0.3
199.18201	0.1
203.05579	1.2
207.14996	0.7
221.06633	1.4
224.17679	1.5
225.16071	9.6
226.16385	0.3
242.18718	0.5
250.15425	0.1
286.57394	0.1
290.22565	0.1
309.21820	0.5
322.32996	0.1
324.26498	0.3
333.22845	0.4
341.29251	0.7
351.24103	0.1
367.26990	1.1
371.20880	0.7
385.28198	0.3
385.79355	0.1
413.21793	1.5
433.31769	1.0
450.34464	1.0
451.32889	7.3
452.33029	0.8
535.38550	0.2
550.43396	1.2
559.39551	0.4
565.44318	0.6
567.45776	0.2
593.43658	0.6
659.48657	2.7
660.49036	0.3
677.49658	100.0
678.49969	12.1
678.62469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05050	1.3
83.01390	1.8
85.02489	0.5
85.02956	4.6
87.00879	1.9
89.01914	0.5
89.02451	9.4
92.98232	0.3
94.06617	0.6
95.01395	1.6
97.02943	0.9
99.00873	1.2
101.01779	0.7
101.02449	12.1
104.05064	0.4
106.06626	4.5
107.03772	0.7
113.02461	6.0
116.05117	0.3
119.03512	4.1
120.04532	0.6
120.08204	1.8
121.05328	0.5
122.06128	7.9
122.07027	0.5
125.02448	0.7
131.03519	1.0
132.04578	1.5
134.06129	25.5
135.06412	0.4
136.07654	1.1
143.03476	1.0
146.06076	0.5
148.03973	0.6
148.07733	0.5
150.05551	0.9
152.07178	5.1
155.05107	0.2
158.02409	0.4
159.05608	0.3
160.04051	1.0
161.04572	3.2
161.07169	0.4
162.05563	0.6
173.07156	0.3
174.05597	1.0
179.05627	1.5
180.06549	0.3
186.05609	0.6
190.05151	1.9
192.06660	0.6
200.03548	0.5
210.07945	0.4
211.08704	0.8
213.10320	1.1
215.11893	1.6
216.11981	0.3
221.06665	0.9
221.10809	0.8
223.08809	1.9
224.09518	1.2
225.10400	2.2
226.11006	0.6
227.11864	0.7
235.08748	0.7
235.12502	0.5
236.05879	0.5
236.09514	0.3
237.06642	0.9
237.10341	2.5
238.10976	1.1
239.08232	0.3
239.11877	4.0
241.13458	3.6
243.15038	0.6
249.06671	0.7
249.10316	1.2
250.07431	1.0
251.08244	3.7
251.11836	2.3
252.08958	0.5
253.09818	0.7
253.13467	0.6
261.10275	0.8
262.07413	0.6
263.08206	2.5
263.11865	1.0
264.08994	3.9
265.09802	5.1
265.12857	0.5
266.10336	0.8
267.11337	1.0
269.12903	1.1
271.10785	0.5
276.09027	0.6
277.06860	0.4
277.09784	2.8
278.10504	1.2
279.11383	9.1
280.11990	1.2
281.09900	0.4
281.12808	1.7
283.10876	0.8
285.04034	0.4
285.12430	1.1
287.14105	0.7
289.09756	0.4
291.07687	0.9
291.11374	2.4
292.08545	0.9
292.12076	1.2
293.09406	0.5
293.12866	1.0
295.10800	1.0
295.14142	0.4
296.11285	0.4
297.12451	0.3
301.03329	0.3
305.09247	1.4
306.09854	0.7
307.10846	2.5
308.11505	0.4
309.12308	0.4
314.12527	2.9
316.11081	0.3
317.08878	0.3
318.16235	0.5
321.12286	0.5
323.10355	0.8
324.10989	0.6
325.12128	0.3
326.12781	0.3
327.13919	0.3
328.10843	0.7
330.12494	0.5
331.07172	0.3
332.14001	1.0
337.11908	2.2
338.12683	0.4
339.13519	1.1
342.12405	0.6
342.16077	1.7
343.13177	0.6
344.13980	1.2
345.14517	0.9
346.15509	0.9
351.13892	0.6
354.12543	0.6
355.13290	0.8
356.10269	0.7
356.14008	1.3
357.10742	0.5
357.14694	0.6
358.11887	0.8
358.15469	1.1
358.19446	0.7
359.16229	2.2
360.17188	4.8
361.17722	0.3
368.13882	0.8
369.14731	0.9
370.11786	0.9
370.15771	1.4
371.12357	0.6
371.16382	0.5
372.13165	1.3
372.17572	1.4
373.14047	1.3
374.15005	1.2
383.16483	0.7
384.17374	3.8
385.14346	1.1
385.18475	0.5
386.14886	5.4
386.18915	0.9
387.15475	0.8
388.16174	0.3
396.13104	0.6
396.17596	0.5
397.14230	0.4
398.14853	2.1
399.15738	1.2
400.16501	2.4
401.17352	0.9
402.18365	3.6
404.15891	0.3
410.14804	0.5
411.15344	0.4
412.17239	1.3
413.17560	0.3
414.18292	1.8
418.17542	0.3
426.18185	1.2
428.16049	4.6
429.16760	0.4
430.17697	1.0
431.18082	0.5
440.16394	1.6
442.17584	0.5
444.19119	1.1
446.17130	1.2
448.18597	0.4
454.17618	0.7
458.17093	0.5
459.17828	1.0
460.18756	4.5
461.19272	0.6
462.20370	0.6
470.17227	0.3
471.18118	0.7
472.18961	1.3
473.19672	0.8
475.17450	0.4
485.15289	0.4
486.20572	0.7
487.17108	0.4
488.18573	0.4
489.18835	0.4
490.19977	2.0
491.20694	0.4
493.22235	0.7
507.24097	0.9
517.18384	0.4
518.18951	0.5
532.21289	0.4
533.21759	0.7
534.22351	0.3
547.23114	0.7
549.25134	0.6
551.23071	0.6
564.23389	1.0
565.24530	0.8
575.23358	1.4
578.21423	0.7
592.23248	0.7
593.24023	0.7
605.23700	0.4
606.24908	1.4
607.25592	1.5
610.23828	1.1
611.24335	0.4
632.22809	0.3
633.23279	0.4
634.24127	0.7
650.23608	1.6
651.24127	1.2
652.25104	0.5
659.28430	0.4
661.32410	0.5
664.24976	0.7
666.26257	0.8
682.25800	1.4
685.30084	0.4
687.30273	2.9
701.28528	0.5
711.30334	1.1
713.28308	2.4
714.28851	0.8
727.29895	0.9
729.31354	5.8
730.31287	0.6
732.30121	0.4
733.30884	0.8
737.28094	1.5
745.30396	1.0
755.29266	14.6
756.29565	2.2
761.33752	0.5
769.30548	3.1
773.15356	0.6
773.30365	33.1
774.30902	5.5
787.31958	100.0
788.32269	14.7
797.30737	0.8
805.33020	78.8
806.33398	12.1
815.31409	1.2
829.32898	1.1
847.34302	7.7
848.34167	1.3
917.34790	3.0
918.35370	0.6
935.18042	0.6
935.35809	6.3
936.36133	0.9
949.37189	3.9
950.37646	0.8
967.38293	6.9
968.38495	1.1
977.36304	0.4
992.37329	0.3
1009.39355	0.5
1097.41028	6.6
1098.41394	0.9
1129.42639	0.4
1166.95947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	0.7
85.02957	2.5
87.00881	0.9
89.02448	4.1
94.06602	0.3
95.01389	0.9
97.02947	0.5
99.00890	0.5
99.04502	0.3
101.02447	5.8
105.55740	0.2
106.06621	2.1
107.03767	0.4
113.02451	4.3
115.03992	0.3
119.03511	1.8
120.08195	1.5
122.06120	5.5
125.02434	0.4
131.03523	0.3
132.04575	0.6
134.06125	13.8
136.07639	0.5
143.03506	0.9
148.07732	0.3
150.05600	1.1
152.07185	3.7
160.03999	0.4
161.04587	2.0
162.05612	0.3
174.05556	0.2
190.05054	0.9
192.06703	0.3
209.07170	0.5
209.10823	0.3
210.07938	0.5
211.08777	2.1
211.12418	0.3
221.10770	0.7
222.08049	0.3
223.08762	1.5
224.09503	0.7
225.10336	2.1
227.08218	0.3
227.11877	0.3
235.08681	0.4
235.12349	0.4
236.05948	1.2
236.09517	0.4
237.06650	2.3
237.10321	1.6
238.11031	1.0
239.11858	2.9
241.13446	0.3
247.08759	0.3
248.09291	0.2
249.06630	0.9
249.10320	0.8
250.07391	1.3
251.08228	4.6
251.11852	2.6
252.08815	0.3
253.09767	0.4
253.13388	0.5
261.10449	0.5
262.07382	0.3
263.08240	2.1
263.11978	1.0
264.09048	4.4
265.09760	5.5
265.12851	0.4
265.13486	0.3
266.10208	0.6
267.11456	0.4
269.09369	0.3
271.10822	0.6
275.08182	0.2
276.08972	0.8
277.09848	2.5
278.10461	1.1
279.11377	9.2
280.12125	1.3
281.09726	0.3
281.12790	1.2
283.10889	1.0
285.12442	0.5
290.10440	0.3
291.08002	0.3
291.11371	2.4
292.08835	0.3
292.12042	1.0
293.09512	0.4
293.12918	0.9
294.13513	0.3
295.10724	0.4
296.11362	0.5
303.11496	0.3
305.09427	1.3
306.09921	0.3
307.10843	1.4
308.11588	0.3
309.08737	0.2
314.12521	1.9
319.10873	0.3
323.10361	1.6
324.10989	1.0
325.12131	0.4
326.12628	0.3
328.10727	0.3
328.14514	0.3
337.11948	1.4
338.12766	0.9
341.11603	0.3
342.12451	0.5
342.16119	0.6
343.12906	0.4
354.12326	0.4
355.13226	0.4
356.14047	1.3
356.17819	0.2
357.14600	0.4
358.15424	1.0
358.19473	0.4
360.17078	0.6
368.13965	0.4
369.14862	0.5
370.11566	0.3
370.15622	1.0
371.16229	0.6
372.17188	1.0
382.11832	0.6
384.12817	1.1
384.17664	1.4
385.18109	0.5
386.14761	0.6
386.19092	1.5
396.13458	0.7
397.14023	0.4
398.14642	1.3
398.19437	0.4
399.15625	0.7
400.16373	0.5
401.21210	0.3
402.18127	0.8
404.20251	0.3
410.14954	0.4
411.15802	0.5
412.16675	1.4
414.18442	0.4
416.16064	0.9
418.21915	0.4
426.18463	1.2
427.18835	0.7
428.15564	1.1
430.17575	2.0
431.18390	1.0
432.19067	0.3
433.19772	0.3
440.15894	0.3
442.17834	0.3
443.18362	0.5
444.19296	1.3
445.20029	0.3
453.16864	0.3
454.17419	0.6
458.17087	0.3
460.18704	0.6
462.20294	0.8
470.17062	0.5
471.18158	0.7
472.18637	1.4
473.19489	1.3
486.19928	0.3
488.18295	0.7
490.19775	2.3
518.19159	0.3
520.20874	0.3
532.21014	0.3
550.21844	0.4
564.21130	0.5
565.24017	0.5
566.25055	0.5
574.22034	0.3
575.23639	0.3
578.21344	2.0
579.22235	0.7
590.21307	0.3
591.21820	0.3
592.22717	0.9
593.23572	0.5
604.22003	0.3
605.23608	0.3
606.24609	1.4
607.24860	0.4
610.23834	1.2
611.25116	0.8
618.20752	0.7
623.24640	0.4
632.22571	0.4
633.23285	1.2
634.24219	0.6
650.23730	1.8
651.24200	2.9
652.24884	0.3
664.25580	0.4
665.25726	3.1
666.26099	0.4
682.25812	1.7
683.26965	1.9
706.26465	0.5
707.26746	0.5
725.28711	0.5
729.31665	0.5
745.31543	0.4
755.16693	0.3
755.29437	5.8
756.29523	0.8
773.30328	13.4
774.30621	1.9
787.31952	26.5
788.32141	3.4
795.30890	0.3
797.30890	0.7
805.32983	100.0
806.33301	12.7
819.34515	1.7
829.33002	12.9
830.33368	1.8
841.33472	0.4
847.34027	5.8
848.34235	0.7
871.33942	1.9
872.33881	0.4
885.35498	0.3
889.35156	0.5
903.36102	0.5
913.34509	0.6
926.65198	0.3
931.36133	0.6
935.34851	0.3
949.37164	0.9
967.38623	2.3
1009.39142	0.3
1051.40662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05044	0.3
83.01392	0.7
85.02959	2.7
87.00889	0.6
89.02448	3.7
94.06623	0.4
95.01377	0.8
97.02934	0.5
98.20684	0.3
99.00864	0.5
101.02451	4.7
104.05070	0.2
106.06631	2.4
107.03780	0.5
108.04562	0.2
113.02455	3.3
119.03509	1.2
120.08212	1.9
121.05323	0.2
122.06126	4.9
125.02429	0.4
131.03482	0.3
132.04517	0.7
134.06126	15.3
135.06500	0.3
136.07689	0.4
137.02451	0.3
143.03488	0.5
148.04066	0.2
148.07722	0.3
150.05595	1.1
152.07178	3.1
160.04022	0.4
161.04572	1.3
174.05528	0.4
179.05618	0.5
189.85361	0.2
190.05113	0.9
192.06601	0.3
194.08134	0.2
209.07140	0.3
210.07951	0.5
211.08752	1.7
211.12338	0.4
213.10251	0.3
215.11784	0.2
221.10837	0.8
222.07840	0.3
223.08739	1.9
223.12241	0.2
224.09381	0.8
225.10307	2.0
226.10938	0.2
227.11862	0.3
235.08786	0.4
235.12344	0.4
236.05814	0.5
236.09564	0.4
237.06679	1.9
237.10318	2.7
238.07118	0.2
238.10999	1.0
239.11877	3.4
239.14339	0.2
240.09160	0.2
240.12161	0.3
241.13438	0.6
247.08794	0.2
248.09419	0.3
249.06685	0.5
249.10225	0.8
250.07341	1.3
250.11115	0.2
251.08234	4.0
251.11891	2.2
252.08887	0.5
252.12462	0.3
253.09827	0.5
253.13449	0.5
261.10199	0.5
262.07416	0.2
262.11087	0.2
263.08267	1.9
263.11865	0.9
264.09052	3.3
265.09824	5.8
265.13092	0.5
266.10391	0.4
267.11438	0.2
268.08591	0.2
269.09262	0.3
269.13016	0.2
271.10822	0.7
276.09055	0.7
277.09848	2.7
278.10635	1.0
279.11377	8.5
280.11832	0.9
281.12845	1.3
283.11026	0.8
285.03873	0.2
285.12479	0.7
287.13943	0.2
289.09845	0.4
289.13153	0.2
290.10507	0.2
290.13474	0.2
291.08173	0.3
291.11374	2.1
292.08676	0.4
292.12109	1.2
293.09741	0.2
293.12915	0.7
295.10861	0.4
295.14246	0.2
296.11426	0.7
303.11212	0.3
304.08282	0.2
305.09259	1.4
305.12671	0.4
306.09842	0.4
307.10876	1.7
308.11160	0.2
309.12424	0.4
311.13965	0.3
314.12476	1.8
318.09912	0.2
319.10895	0.3
323.10468	1.4
324.11063	0.9
325.12057	0.8
326.12820	0.5
328.14465	0.3
330.16129	0.2
337.11948	1.3
338.12271	0.3
339.13446	0.3
341.11557	0.2
342.12393	0.4
342.16122	0.8
343.12964	0.2
344.13968	0.4
351.13425	0.2
354.12399	0.3
355.13037	0.6
356.14005	1.0
356.17697	0.2
357.14636	0.5
358.15503	1.1
358.19312	0.6
359.16357	0.4
360.17087	0.7
368.14194	0.3
369.14880	0.4
370.11459	0.3
370.12543	0.2
370.15768	1.2
371.16324	0.7
372.13336	0.3
372.17267	0.9
373.14069	0.4
374.14804	0.3
382.11789	0.5
382.19360	0.4
383.12646	0.3
384.12683	0.9
384.17618	1.7
385.17819	0.6
386.14297	0.9
386.19269	1.5
396.13562	0.5
397.14212	0.3
398.14709	1.1
398.19431	0.3
399.15652	0.7
399.19998	0.3
400.16583	0.6
402.18155	0.7
404.19644	0.2
410.14822	0.4
411.15588	0.3
412.16574	0.8
413.17297	0.4
414.18390	0.4
416.16095	0.7
418.21637	0.2
425.17221	0.2
426.18350	1.1
427.18994	0.5
428.15698	1.4
429.16544	0.3
430.17679	1.5
431.18182	0.8
432.19336	0.3
433.36026	0.2
440.15912	0.3
442.17810	0.5
443.18350	0.4
444.19382	1.0
445.20099	0.4
446.16660	0.3
448.18921	0.2
453.16650	0.2
454.17804	0.5
458.17050	0.4
459.17728	0.3
460.18292	0.7
462.20398	0.8
470.17001	0.3
471.17969	0.7
472.18808	1.4
473.19666	0.9
486.20358	0.3
488.18109	0.4
489.18799	0.5
490.19733	2.1
504.21698	0.4
517.17932	0.3
518.19244	0.3
520.20782	0.4
532.20953	0.3
534.22595	0.2
538.25354	0.2
541.01270	0.2
546.18677	0.3
550.21893	0.3
551.23010	0.2
552.23212	0.3
561.21130	0.2
564.24133	1.0
565.24329	0.4
566.24805	0.5
574.22192	0.3
575.22430	0.3
578.21362	1.8
582.24524	0.2
588.22864	0.2
591.22028	0.4
592.23267	0.8
593.23724	0.4
604.23206	0.3
605.23615	0.3
606.24762	1.2
607.25116	0.5
609.22968	0.2
610.23944	1.5
611.24933	0.4
618.21088	0.5
623.24927	0.7
624.25592	0.3
632.22485	0.3
633.23175	0.7
634.23895	0.6
650.23511	1.7
651.24506	2.0
652.24567	0.2
665.25964	1.9
666.26447	0.3
682.26324	0.8
683.27094	1.5
684.27362	0.3
697.27869	0.2
701.28424	0.2
713.27692	0.4
727.30304	0.4
729.31494	0.8
731.29144	0.2
733.30511	0.4
745.31128	0.5
755.29260	4.2
756.30078	0.7
773.30353	11.0
774.30841	1.4
787.31976	27.0
788.32288	4.5
797.30566	0.6
805.33008	100.0
806.33319	15.3
815.30322	0.2
819.34131	0.8
829.33057	8.6
830.33380	1.5
841.32709	0.3
847.34082	3.5
848.34656	0.7
871.34082	2.3
871.58203	0.2
872.34125	0.5
889.35748	0.3
903.37207	0.3
913.35175	0.4
917.33215	0.2
931.35913	0.6
935.35974	1.2
949.36902	0.8
967.38300	2.9
968.38251	0.5
1009.40717	0.3
1051.40564	0.2
1097.41125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1124.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02941	7.6
85.16927	2.6
87.00861	2.9
89.02436	17.7
95.01397	2.8
97.02943	2.3
98.17628	3.0
101.02444	18.5
113.02453	13.8
119.03455	4.6
121.31062	2.5
125.02481	4.3
142.73352	2.5
143.03510	3.9
161.04515	3.8
179.05656	3.0
308.37411	3.1
486.06339	3.0
575.35785	4.3
671.38123	5.2
672.38635	3.5
899.46796	9.1
900.46881	7.3
901.46869	12.4
902.47266	15.7
1061.51917	39.0
1062.51807	14.0
1063.52600	22.8
1064.52686	72.0
1065.52161	4.5
1124.51208	100.0
1125.52039	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	1126.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01366	1.7
83.93011	1.2
84.40113	1.3
85.02962	7.1
86.08894	1.1
87.00887	4.5
88.34596	1.4
89.02451	6.6
95.01402	3.5
97.02969	1.9
99.31584	1.3
101.02441	11.6
113.02444	11.7
114.02816	2.7
119.03471	3.4
125.02415	3.4
126.33213	1.4
134.07365	1.3
143.03496	3.5
161.04552	5.4
179.05600	3.0
196.64316	1.3
240.97229	1.4
289.67346	1.4
577.37415	6.6
578.37866	8.6
579.38062	5.0
580.38208	2.6
673.39099	2.0
675.40570	2.7
901.47467	6.6
902.48138	4.9
903.48547	13.1
904.49249	12.9
1063.53430	29.7
1064.53137	8.1
1065.53906	24.7
1066.54041	51.8
1126.52869	100.0
1127.53064	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82735	0.5
52.69006	0.6
52.91358	0.5
55.01881	7.0
59.99536	0.5
63.96236	0.9
64.97025	3.2
67.01882	5.3
68.03385	0.6
70.89833	1.4
71.01385	1.3
78.60304	0.5
78.95905	100.0
79.95729	2.7
83.01385	19.1
84.01734	1.0
93.83733	0.5
95.93456	69.4
96.93393	0.9
109.57542	0.5
110.23972	0.5
110.95806	73.9
110.97557	4.6
110.98508	2.1
111.00877	14.8
111.95746	0.7
117.38552	0.6
123.09303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.2
82.99561	0.2
83.01394	0.7
84.22908	0.2
85.02954	3.7
86.81231	0.2
87.00877	0.9
89.02465	0.3
93.03458	0.4
95.01381	1.3
99.00906	1.2
101.02458	0.3
103.00382	0.4
107.01378	1.9
113.02451	5.1
115.00379	0.4
117.03471	0.3
119.26505	0.2
125.02458	0.3
129.01952	0.2
132.02165	4.1
133.02956	0.5
134.03748	2.1
135.00865	0.8
135.04517	0.6
143.05011	0.4
149.02446	0.2
149.06125	0.3
151.00378	5.2
152.01007	0.3
159.01062	0.2
159.04501	0.3
160.01656	6.8
161.02460	2.2
163.00385	1.3
164.01152	0.7
167.04950	0.4
169.01422	0.8
169.06638	0.3
171.04410	0.3
175.02495	1.5
175.04008	4.5
178.02715	0.3
178.99855	1.6
179.03479	0.4
182.03714	0.4
183.04512	2.0
184.05095	0.2
185.02457	0.6
185.06071	0.7
187.03970	0.9
190.99873	0.2
192.00601	0.2
193.05048	1.6
195.04605	0.4
196.05388	0.3
198.75737	0.2
199.03993	0.6
200.04636	0.4
209.00912	0.3
211.03995	2.8
212.04697	0.4
213.05562	0.8
227.03499	41.3
228.03879	1.9
229.05060	2.1
239.03444	1.1
240.04124	0.3
241.05042	0.8
243.02882	0.2
255.02979	81.2
256.03604	8.4
257.04535	2.0
265.05032	0.2
269.04599	0.8
271.02536	0.3
281.04471	0.4
283.02469	5.8
284.03253	100.0
285.03961	21.5
286.04443	0.8
293.04886	0.2
297.03943	0.4
298.04779	1.6
299.02426	0.2
299.05612	0.8
300.02805	0.5
309.04031	0.7
326.04410	0.6
327.05045	0.9
333.13654	0.2
335.07870	0.2
339.04935	0.4
351.04996	0.4
393.06229	0.7
473.11267	0.3
497.12976	0.4
591.13837	0.5
609.14484	0.3
625.14001	0.6
737.19183	2.1
738.20148	0.3
755.20465	2.7
769.21710	0.4
904.67517	0.2
931.25104	99.6
932.25519	12.4
1027.28162	0.3
1107.28320	31.6
1108.28687	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	1109.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
79.16502	0.2
82.18953	0.2
83.01388	1.1
85.02950	2.2
87.00896	0.7
89.02446	1.0
89.03972	0.2
91.01888	0.3
93.03432	1.3
95.01402	0.7
98.20605	0.6
99.00883	1.0
101.02440	0.6
101.04432	0.2
103.00356	0.3
104.02698	0.4
105.03465	0.9
107.01382	3.9
108.02139	0.3
109.02915	0.7
113.02463	2.8
115.01923	0.3
117.03460	1.3
119.03477	0.2
119.05034	0.3
121.02937	0.3
123.00889	0.3
123.04557	0.4
125.02443	0.3
131.05022	0.2
132.02171	5.6
133.02960	32.8
134.03806	1.5
135.00899	0.9
135.04536	12.0
136.04848	0.4
137.02472	0.5
143.05034	0.7
145.02927	0.7
145.06628	0.3
147.04555	0.4
151.00381	8.0
152.01065	0.4
153.01936	0.3
155.04976	0.2
157.06528	0.3
159.04498	0.9
160.01669	0.5
161.02448	57.0
162.02823	1.7
163.00386	1.7
163.74939	0.2
164.01147	0.7
165.01997	0.3
167.05035	0.5
169.01460	1.2
169.06569	0.6
171.04512	0.6
173.02518	0.3
173.06082	0.4
175.02551	0.4
175.03993	0.9
177.05527	0.3
178.99873	3.4
179.03493	6.0
183.04463	1.9
184.05220	0.3
185.02419	0.6
185.06120	1.1
187.03966	1.9
189.05536	0.8
190.99933	0.2
192.00682	0.2
196.05319	0.3
197.05995	0.4
199.03981	0.9
200.04718	0.4
201.05602	0.5
203.03516	0.7
211.04034	2.4
212.04674	0.4
213.01932	0.2
213.05498	1.4
215.03444	0.5
221.06673	0.3
227.03497	36.3
228.03899	2.1
229.05035	4.3
239.03520	1.6
240.04245	0.7
241.04965	1.2
243.03024	0.9
243.06544	0.3
247.88647	0.3
253.04901	0.2
255.02985	71.5
256.03598	7.4
257.04578	4.3
267.02924	0.5
268.03705	0.3
269.04523	0.5
271.02432	2.2
281.04474	0.6
283.02487	6.2
283.05530	0.2
284.03259	94.0
285.04004	46.5
286.04388	2.6
297.03989	0.4
298.04718	0.5
299.05634	0.4
300.02747	2.9
301.03491	1.6
309.03970	1.0
311.05414	0.3
326.04373	0.9
327.05075	1.7
330.03870	0.3
339.05032	0.8
357.05896	0.2
393.06097	0.6
469.13409	0.5
505.10202	0.5
591.13641	2.0
609.14832	0.4
647.18353	1.8
753.18695	0.8
771.19855	11.1
772.19751	1.4
932.25867	0.6
933.23096	100.0
934.23395	15.5
947.24091	1.5
975.24274	0.4
1005.25012	0.4
1091.24683	0.8
1109.26245	50.2
1110.26270	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	1100.651
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	30.0
80.96513	1.9
98.19779	2.8
152.99548	9.3
154.03113	1.5
168.04337	3.4
184.57780	1.6
224.06892	7.9
230.18356	3.0
242.07819	2.2
279.23279	79.1
280.23630	47.1
281.23944	13.3
282.24515	2.1
342.57343	1.8
358.43829	1.6
372.90616	1.9
433.23407	3.1
478.31302	1.9
504.30994	62.8
505.24146	3.0
505.31302	49.1
505.38760	2.5
506.31558	35.4
507.31808	14.5
579.27533	3.2
580.27069	3.6
581.32166	100.0
582.32513	9.6
604.26373	2.1
914.14185	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	1100.6512
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	11.6
80.96529	4.2
82.96107	3.3
85.41988	1.9
97.50495	1.8
137.53896	2.0
152.99574	5.6
163.94191	1.9
242.07864	2.5
267.21103	1.9
279.23273	85.5
280.23608	46.1
281.23795	15.3
281.41153	1.9
282.24088	2.8
336.51871	2.5
349.12836	2.4
354.90665	1.9
429.60419	1.9
433.24057	2.5
445.72220	2.0
476.27863	5.5
504.30945	46.2
505.31284	32.3
506.31540	26.2
507.31543	9.5
578.27130	2.8
579.26624	6.3
580.26703	4.2
581.32135	100.0
582.32275	8.7
942.50977	2.2
1083.25208	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	1099.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	1.2
85.02951	0.6
89.02438	0.9
95.01406	0.5
99.04507	0.1
101.02439	3.0
107.01387	1.2
113.02465	1.5
113.06095	0.4
119.03483	0.7
123.08189	0.2
125.02454	0.2
131.03493	0.6
132.02194	0.6
135.00883	0.5
135.08136	0.2
137.06078	0.2
137.09724	0.6
137.39558	0.2
139.07642	0.4
143.03513	0.5
149.04549	1.1
151.00377	2.5
151.07657	0.2
152.01047	0.3
153.09221	0.5
159.04475	0.3
161.02486	0.3
161.04533	1.8
163.00377	0.6
163.11281	0.3
164.01086	0.2
165.01956	0.2
165.09216	0.7
169.01411	0.3
171.04594	0.2
178.99805	0.9
179.05600	0.6
179.55847	0.2
183.04471	0.8
185.06059	0.4
187.04010	0.5
187.11249	0.4
193.04987	0.2
199.04074	0.3
200.04692	0.2
200.20184	0.2
203.05640	0.4
205.12350	1.0
211.03979	1.1
211.05701	0.2
213.05598	0.5
221.06648	1.1
223.13388	3.5
227.03499	26.7
228.03883	1.3
229.04999	1.9
239.03548	0.9
240.04251	0.2
241.05075	0.5
241.14412	0.5
255.02982	47.6
256.03540	4.5
257.04532	2.0
281.04651	0.3
283.02451	1.5
284.03253	72.7
285.03983	19.8
286.04300	1.1
300.02707	0.3
301.03445	0.2
309.03961	0.4
326.04337	0.2
327.05118	0.4
339.05029	0.2
385.18640	0.5
403.19739	0.4
427.19711	0.3
429.08267	1.7
445.20782	3.3
447.09390	0.2
549.25446	0.7
567.22729	0.2
609.14581	100.0
610.14874	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	1099.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.5
86.73579	0.1
89.02412	0.2
91.01898	0.3
91.12571	0.2
98.20592	0.2
101.02449	0.2
107.01389	1.8
107.71906	0.2
108.02183	0.7
109.02925	0.8
113.02438	0.2
114.86900	0.2
116.29929	0.2
121.02937	1.2
125.02429	0.2
133.06612	0.1
135.00853	0.5
146.03706	0.2
148.01656	0.6
149.02461	0.2
151.00360	7.4
153.01923	0.2
159.04591	0.2
161.02422	0.3
163.00377	1.4
164.01222	0.4
169.01404	0.6
170.89195	0.2
175.03944	0.2
178.99855	4.4
180.00174	0.2
183.04483	0.3
187.04031	0.4
192.00592	0.3
199.03856	0.4
201.05615	0.3
203.03485	0.2
205.05107	0.2
211.03970	0.6
214.02650	0.2
215.03490	0.3
216.04332	0.4
226.02716	0.7
227.03497	1.8
228.03888	0.2
229.05005	0.3
243.02950	5.6
244.03514	0.4
245.04466	0.5
254.02214	1.4
255.02966	15.9
256.03336	1.0
271.02463	33.9
272.02948	2.5
273.03873	0.7
283.02341	0.6
285.04019	0.4
299.02023	1.1
300.02737	63.3
301.03458	25.3
302.03873	1.4
322.70712	0.2
343.04572	0.7
369.19128	0.7
387.20178	0.5
429.21027	0.6
496.10287	0.2
625.14050	100.0
626.14429	11.3
626.22705	0.2
627.14215	0.7
763.37903	0.2
1028.46167	0.2
1088.04688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.6014
Annotation	Unknow
Peak:m/z	Relative Intensity
78.15093	0.1
78.95905	5.2
78.98595	3.0
79.95262	0.2
79.95738	5.8
80.96519	32.8
81.03470	0.3
82.34808	0.1
83.01376	0.2
85.02949	1.2
87.00882	1.5
94.98090	8.6
95.01401	0.3
96.96009	0.6
97.02965	1.0
99.00896	0.4
101.02455	1.3
106.98077	1.6
122.97576	1.7
125.02457	1.7
127.04026	0.3
134.97591	2.8
136.99162	0.8
143.03488	0.2
146.97498	0.2
148.99149	3.5
152.98628	3.1
152.99661	0.6
158.08502	0.1
164.98628	7.6
167.00179	0.4
168.04315	1.0
179.00134	0.1
201.86290	0.1
206.99704	1.7
220.24432	0.1
224.06914	1.9
225.00742	11.7
226.01031	0.3
238.72313	0.2
242.08025	0.3
261.22171	0.2
277.21680	1.3
279.23288	25.5
299.04413	2.6
317.05423	0.2
379.28415	0.3
380.28815	0.2
476.27859	0.6
503.12405	0.1
503.53116	0.1
504.30966	26.4
505.13220	0.2
577.26855	100.0
578.27118	8.5
578.34869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6778
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	16.7
78.98576	0.3
79.95744	0.9
80.96516	6.0
82.96102	0.2
83.05029	0.2
85.02940	0.2
87.00871	0.2
94.94642	0.1
94.98106	1.1
96.95998	0.2
96.96967	0.3
101.02442	0.2
104.69949	0.1
106.98075	0.2
122.97522	0.3
122.98495	0.5
125.02431	0.3
134.97583	0.3
134.98526	0.2
145.89633	0.1
148.99161	0.7
152.98639	0.2
152.99612	2.5
164.98608	0.9
165.98944	0.1
168.04314	2.7
183.81264	0.2
194.05925	0.2
195.45370	0.1
206.99632	0.3
224.06920	7.1
225.00726	1.6
226.01166	0.2
242.07980	1.9
247.76033	0.1
261.22266	0.4
279.23273	86.2
280.23611	4.3
299.04315	0.4
365.95615	0.1
379.28271	0.2
415.22403	0.2
447.98160	0.1
504.30948	100.0
505.31290	7.6
519.27197	0.8
577.26868	8.2
578.27118	8.3
578.34900	2.9
579.27118	1.0
579.34857	0.2
610.32959	0.1
617.42230	0.1
652.36835	0.2
942.31030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.677
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95455	0.4
78.95905	5.6
78.98604	1.7
79.95729	3.4
80.96519	20.1
81.95309	0.2
81.96457	0.2
82.96093	0.5
84.73276	0.1
85.02970	0.6
87.00864	0.9
94.98093	5.2
95.01389	0.2
95.98461	0.2
96.96005	0.4
96.97707	0.2
97.02959	0.4
99.00912	0.3
99.01835	0.2
101.02479	0.8
106.98102	1.0
107.96722	0.2
110.59042	0.2
112.69810	0.2
122.97594	1.9
125.02452	1.1
127.04011	0.3
134.97557	1.5
136.99127	0.5
148.99136	2.1
152.98570	2.4
152.99657	1.1
164.97275	0.3
164.98633	4.1
165.98853	0.3
166.98216	0.2
168.04356	1.5
182.99739	0.9
188.98560	0.2
206.99657	1.1
207.99905	0.2
224.06923	0.9
225.00742	8.5
226.01115	1.1
242.08008	2.7
243.01744	0.7
261.22171	0.6
277.21701	1.0
278.22107	0.3
279.23282	100.0
280.23615	5.4
299.04465	1.0
300.04892	0.4
476.27835	0.3
477.28912	0.2
504.30963	77.0
505.31305	5.7
519.27264	0.7
577.26874	34.7
578.27136	34.3
578.34644	2.3
579.27106	3.7
579.35321	0.2
750.65948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01403	0.8
85.02949	3.4
87.00874	0.8
89.02459	0.7
93.03447	0.7
95.01400	1.3
99.00879	1.1
101.02440	0.7
103.00417	0.4
107.01394	3.4
113.02440	3.3
117.03471	9.3
118.03830	0.4
119.05024	2.7
125.02401	0.4
132.02196	1.1
133.02927	0.5
135.00891	1.2
137.02475	0.3
143.04974	0.5
145.02950	13.0
146.03273	0.4
151.00369	6.1
152.01160	0.5
159.04497	0.4
161.04547	0.5
163.00421	1.6
163.04031	1.8
164.01118	1.0
167.04999	0.3
168.46153	0.3
169.01443	1.0
169.06526	0.4
171.04506	0.6
175.02501	0.7
178.99886	1.9
182.03679	0.3
183.04535	2.1
185.02477	0.4
185.06052	0.9
187.03979	1.5
197.06075	0.4
199.04013	0.7
200.04697	0.4
203.99657	0.4
211.03972	2.8
212.04689	0.6
213.05595	1.1
226.02679	0.4
227.03493	41.5
228.03857	2.8
229.04979	3.6
232.53340	0.3
239.03450	1.2
240.04164	0.6
241.05034	1.2
255.02977	81.2
256.03625	9.0
257.04575	4.2
267.03009	0.3
268.03708	0.3
269.04559	0.6
271.02484	0.6
281.04504	0.7
283.02478	5.5
284.03253	100.0
285.03983	38.5
286.04346	2.0
301.03574	0.4
309.03854	0.9
321.03967	0.4
326.04279	0.5
327.05011	1.3
339.05035	0.7
393.06210	0.8
493.12534	0.4
583.03827	0.3
591.13580	1.5
667.17017	0.4
753.18799	2.5
754.19421	0.4
755.17566	0.4
771.19885	6.1
772.20111	0.7
917.23541	93.1
918.23859	15.5
959.23517	0.5
989.25098	0.4
1075.26367	0.5
1093.26709	29.3
1094.27161	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	1096.6011
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95923	1.2
78.98605	2.4
79.95735	5.3
80.96520	30.7
81.03461	0.3
85.02950	1.3
87.00867	1.0
94.98091	8.0
96.96012	0.5
97.02947	0.9
98.20667	0.2
99.00901	0.3
101.02448	1.6
106.89437	0.2
106.98097	1.3
109.02925	0.2
113.02460	0.3
122.97595	3.0
125.02445	1.8
127.04016	0.5
134.97560	2.6
136.99139	0.7
148.99133	3.3
152.98598	3.7
152.99586	0.4
164.98625	6.3
167.00212	0.2
168.04242	0.2
182.99738	1.3
188.98497	0.2
206.99713	2.1
225.00742	14.0
242.08044	0.4
243.01801	1.1
277.21716	1.9
279.23285	18.6
280.23694	0.4
299.04382	2.7
476.27554	1.1
504.30978	12.7
577.26868	100.0
578.27112	8.5
993.62329	0.3
1031.28503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.6606
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	15.8
83.72275	0.4
95.22582	0.4
96.96997	0.5
99.92580	0.6
138.12952	0.5
145.99342	0.4
152.99583	2.3
168.04324	3.0
175.22026	0.4
224.06914	6.7
242.07935	2.1
253.09314	0.9
277.21725	7.1
278.22131	0.5
279.23282	84.0
280.23654	4.6
368.40436	0.4
433.24026	0.9
434.09280	0.5
463.11816	0.4
504.30978	100.0
505.31299	7.1
519.27020	1.1
578.34540	2.7
911.21869	0.5
1092.54175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	2.0
85.02956	3.7
87.00877	0.6
89.02452	1.1
93.03461	1.9
95.01390	1.8
96.21803	0.3
99.00899	1.5
99.01421	0.3
100.57220	0.2
101.02441	0.7
107.01373	3.4
109.02953	0.9
112.78257	0.2
113.02462	4.0
115.00369	0.3
117.03468	15.5
118.03795	0.4
119.01374	0.3
119.05029	6.5
125.02450	0.8
129.01904	0.4
131.05020	0.4
132.02211	0.7
135.00845	1.3
136.95012	0.3
137.02396	0.4
141.07129	0.3
143.05026	1.2
145.02956	30.9
146.03307	0.7
150.99150	0.5
151.00375	8.1
153.01953	0.6
154.04282	0.5
155.05014	0.4
157.06602	0.7
159.04494	1.3
161.02516	0.4
161.06142	0.3
163.00404	3.0
163.04022	6.4
164.01088	0.9
164.04372	0.3
165.01945	0.4
167.05038	0.7
168.33850	0.2
169.01419	1.1
169.06596	1.3
169.46446	0.3
171.04498	1.0
173.02438	0.3
173.06050	0.4
175.02493	0.7
175.03958	0.3
178.99861	1.5
183.04555	1.8
185.02470	0.6
185.06065	2.6
187.03986	3.6
189.05540	1.3
189.07097	0.4
190.99860	0.3
194.83282	0.3
195.04527	0.9
197.06056	1.2
199.03947	1.2
200.04764	0.6
201.05563	0.7
211.03981	3.2
212.04773	0.6
213.05597	2.3
214.02730	0.5
215.03438	0.4
217.04965	0.3
219.02901	0.3
227.03499	30.9
228.03891	1.5
229.05054	11.1
230.05367	0.7
231.65862	0.2
239.03493	1.9
240.04219	1.2
241.05066	2.2
243.03029	0.6
255.02988	59.1
256.03625	6.7
257.04535	8.4
267.02985	1.0
269.04559	0.9
281.04782	0.4
283.02527	3.5
284.03262	65.7
285.04037	100.0
286.04407	5.0
297.04025	0.4
309.03976	0.4
311.05414	0.3
313.03357	0.3
322.44516	0.3
327.05038	1.1
339.05121	0.5
369.06076	0.3
393.06155	0.7
461.07159	0.3
591.13586	0.7
631.18335	1.6
744.91553	0.3
753.18768	1.3
771.19800	5.3
772.19635	0.5
894.48834	0.3
917.23560	96.1
918.23914	15.5
923.83698	0.3
959.24255	0.8
989.26111	0.5
993.49292	0.3
1093.26758	34.9
1094.27087	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	1085.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95907	81.8
81.26096	0.2
96.96965	6.1
97.09541	0.2
150.98029	2.6
152.99593	100.0
153.99939	0.9
171.00673	2.5
234.35910	0.2
277.21619	1.2
278.03915	0.2
350.73236	0.2
431.22021	61.9
432.22284	4.3
995.02386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0295
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.11522	3.1
64.47930	3.8
65.03967	74.1
67.01892	32.6
69.36436	3.4
81.40170	3.4
109.02964	100.0
110.03269	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	1092.6613
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	5.6
80.49686	0.3
99.92604	0.7
113.41376	0.4
115.00358	0.6
152.99590	1.4
168.04266	1.5
172.72879	0.4
175.02386	0.5
224.06953	0.9
242.07996	1.7
253.09334	0.8
277.21710	4.4
278.21942	0.7
279.23285	100.0
280.23654	4.7
348.35477	0.4
359.41946	0.4
433.23627	1.0
504.30975	76.6
505.31265	5.5
519.26868	0.5
578.34558	3.0
904.51971	0.4
1092.53625	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	108.0218
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
70.47955	10.2
80.02681	100.0
81.03020	7.4
85.04433	2.9
103.94003	2.7
107.03819	3.0
108.02176	97.6
108.04553	23.9
109.02966	47.3
109.73494	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	1073.634
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	19.5
85.14649	0.6
89.77648	0.6
101.08794	0.6
121.04768	0.7
136.65591	0.6
152.99663	3.7
168.04350	3.4
224.06938	7.4
242.07968	2.5
279.23285	96.5
280.23618	5.2
504.30969	100.0
505.31320	8.4
554.30194	3.9
595.29529	0.8
596.29047	1.4
1114.77014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00891	0.7
83.01392	0.5
85.02958	3.2
87.00880	0.8
89.02457	0.6
93.03461	0.5
95.01400	1.1
99.00871	1.3
101.02483	0.5
103.00364	0.4
107.01411	2.0
113.02452	3.8
117.03469	5.8
119.05024	2.2
125.02513	0.5
132.02185	1.1
135.00864	0.8
145.02953	10.7
151.00359	5.4
153.02063	0.4
159.04529	0.4
161.02469	0.5
163.00380	1.1
163.04012	1.3
164.01129	1.1
169.01439	0.5
174.58643	0.4
175.02513	0.7
178.99840	1.5
183.04509	1.1
185.02339	0.7
185.06104	0.4
187.03995	1.0
199.03949	0.7
200.04808	0.8
211.04008	1.9
212.04645	0.5
213.05634	0.6
227.03488	35.5
228.03889	1.5
229.05051	1.8
239.03529	1.3
240.04306	0.5
241.04918	0.9
251.97723	0.3
255.02983	70.0
256.03629	7.4
257.04547	1.8
267.03021	0.4
269.04584	0.7
283.02512	3.8
284.03253	100.0
285.03955	20.3
286.04584	0.4
298.04614	0.5
309.03973	0.5
326.04373	0.5
327.05145	1.0
350.91382	0.4
591.14148	0.5
641.92200	0.5
672.73242	0.4
737.19269	0.9
755.20197	3.1
756.20526	0.4
901.24078	73.8
902.24420	9.6
1077.27258	28.4
1078.27405	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	1077.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00873	0.7
83.01386	0.8
85.02952	4.2
87.00882	0.7
89.02447	0.5
93.03448	0.4
95.01390	1.0
96.80574	0.3
99.00864	2.0
101.02455	0.3
103.00368	0.6
107.01394	2.4
113.02455	5.6
114.20411	0.2
115.00378	0.5
117.01937	0.5
117.03468	6.7
119.05019	2.6
125.02491	0.4
132.02184	1.1
135.00906	0.7
139.00394	0.3
143.05026	0.4
144.10364	0.3
145.02953	11.2
146.03302	0.6
147.04507	0.3
151.00378	4.6
152.01137	0.5
159.04524	0.5
163.00371	0.8
163.03955	1.4
164.01175	0.8
169.01431	0.8
171.04449	0.4
173.06041	0.3
175.02480	2.2
178.99866	1.9
183.04440	1.3
185.06007	0.5
187.04012	0.8
195.04530	0.5
199.04060	0.6
211.03918	2.2
212.04794	0.4
213.05505	0.5
227.03494	38.1
228.03816	1.5
229.05016	1.7
239.03554	1.3
241.05057	0.6
255.02980	79.3
256.03619	8.7
257.04526	2.2
267.03021	0.5
269.04590	0.8
283.02454	3.2
284.03253	100.0
285.03958	21.9
286.04346	0.6
298.04828	0.7
309.04211	0.3
326.04312	0.4
327.05072	0.9
339.04797	0.4
393.06213	0.8
591.13635	0.9
737.19043	2.0
755.20227	4.1
787.62048	0.4
901.24060	91.3
902.24402	12.8
935.52649	0.3
1077.27283	28.0
1078.27271	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	1061.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
74.32344	0.8
79.95713	0.8
81.03436	2.0
83.01393	4.7
85.02952	24.2
87.00878	19.0
89.02447	48.3
95.01385	9.9
97.02954	6.4
98.20718	1.6
99.00887	2.6
101.02443	43.8
106.90078	0.7
111.04446	0.8
113.02451	37.9
113.03245	1.8
119.03509	16.7
119.09495	0.8
125.02445	12.0
127.07722	0.9
127.31445	0.9
130.92781	0.7
131.03493	3.3
136.17664	0.7
143.03513	15.9
149.04559	1.4
153.05554	1.3
153.93524	0.8
161.04572	12.8
165.05466	0.8
179.05615	11.3
181.05026	1.2
195.47421	0.8
221.06621	1.8
230.39111	0.9
270.78918	0.8
275.07693	4.2
305.08881	1.5
323.10019	0.8
387.57556	0.8
391.84189	0.8
408.36826	0.8
485.15298	1.3
575.35907	33.9
576.36072	3.6
653.36755	1.7
655.38751	0.9
671.26599	1.4
671.37982	26.7
672.38214	3.1
683.38025	6.1
701.39087	1.2
719.40143	1.9
737.41351	9.0
899.46399	86.4
900.46814	12.7
1061.51758	100.0
1062.52295	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00842	0.7
81.03412	2.2
83.01389	6.9
85.02956	24.6
85.03446	0.8
86.00046	2.5
87.00874	17.4
89.02447	24.9
95.01382	9.5
96.95982	0.7
96.97223	0.5
97.02946	9.0
99.00869	3.9
101.02445	39.9
109.02831	0.6
110.38708	0.5
112.01654	1.3
113.02448	40.7
115.00332	0.8
115.03944	1.0
119.03506	8.2
125.02451	10.9
127.04063	0.6
129.01909	0.8
131.03407	2.3
135.04434	0.7
143.03511	12.4
153.05501	1.3
153.33078	0.7
159.02892	0.9
161.04562	19.9
175.02400	1.3
179.05632	10.4
181.05009	0.9
206.51888	0.6
209.65799	0.5
218.32625	0.7
221.06509	1.5
245.06609	0.6
255.27454	0.5
265.59763	0.6
275.07709	4.0
305.08679	1.7
457.33426	0.6
485.14880	1.8
485.32425	0.9
514.82794	0.6
577.37439	61.5
578.37726	6.7
655.38873	0.9
673.39545	30.4
674.40082	4.0
685.39624	6.6
703.40930	1.7
721.42010	1.1
739.42548	8.6
787.45135	0.6
901.48004	85.9
902.48254	11.7
945.50311	1.0
1026.84424	0.7
1063.53271	100.0
1064.53699	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	106.9995
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57272	2.3
63.94467	100.0
63.96237	17.4
64.95251	98.8
65.94025	2.7
65.95819	6.8
66.03485	2.7
67.20681	2.3
70.72621	3.5
70.72943	5.1
86.68916	2.3
91.97379	3.8
95.41499	2.2
103.00587	2.8
106.97978	7.6
106.99963	6.6
107.03756	7.3
107.05005	14.5
108.02152	8.9
108.04560	45.0
108.05276	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	1052.6525
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	15.0
86.98226	1.6
91.84110	1.8
96.47203	1.7
111.39571	1.6
120.43262	1.4
131.41858	1.6
131.52434	1.5
139.96147	1.7
152.99562	5.9
224.06891	4.9
255.23285	55.7
256.23615	24.4
257.23953	10.0
327.82144	1.7
342.23239	1.5
409.23325	3.8
480.30960	40.4
481.31387	23.1
482.31558	16.4
483.31842	6.0
526.99329	2.3
533.63892	2.1
556.35535	1.9
557.32050	100.0
558.32422	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	1055.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	0.8
81.49463	0.3
83.01418	0.4
85.02486	0.5
85.02955	3.8
87.00875	0.6
89.02434	0.6
95.01406	1.2
99.00893	1.2
103.00379	0.4
107.01392	0.4
113.02456	5.1
115.00381	0.4
117.01961	0.5
124.52964	0.2
125.02435	0.7
130.81915	0.3
131.88690	0.3
132.02126	0.4
134.03813	0.3
151.00374	2.7
153.01920	0.6
160.01688	0.6
161.04550	0.3
163.00354	0.3
169.01416	0.6
175.02481	2.4
175.03987	0.9
178.99870	0.9
189.01891	0.4
199.04021	1.4
199.37645	0.3
204.04245	0.5
205.05077	0.4
215.03510	1.3
226.02684	0.3
227.03589	1.8
242.02205	4.2
243.02974	27.1
244.03314	1.3
255.02989	0.8
257.04541	7.8
258.05072	0.6
270.01703	5.1
271.02481	25.6
272.02850	1.4
284.03308	0.3
285.04053	16.2
286.04758	4.5
287.04947	0.3
299.01981	6.4
299.05219	0.3
300.02750	4.6
301.03519	0.7
314.04330	51.4
315.05005	10.9
316.05008	0.3
328.05844	0.4
329.06784	0.4
342.03558	0.5
357.06174	1.8
391.42221	0.3
401.20459	1.0
477.10394	100.0
478.10742	8.4
478.15955	0.2
479.10876	0.6
491.08282	0.4
519.11578	1.3
549.12897	0.5
591.12836	0.3
653.13641	45.5
654.14038	4.5
911.51892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6792
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	18.0
96.96990	0.3
97.87323	0.2
122.98529	0.5
134.98488	0.2
139.06549	0.2
152.99588	2.7
168.04324	3.0
213.32448	0.2
224.06926	7.6
225.07249	0.2
237.22105	0.2
242.07990	2.2
255.23294	99.2
256.23621	5.6
396.99899	0.2
480.30948	100.0
481.31299	7.8
495.27359	0.9
545.57813	0.2
553.20813	0.2
554.34680	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	105.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98044	0.4
59.01380	1.2
62.36634	0.2
63.96239	100.0
64.96178	0.7
64.97017	2.2
65.58572	0.2
70.49128	0.7
72.99312	4.0
75.00876	1.2
86.99104	2.6
89.97809	4.6
91.72266	0.2
105.00163	6.0
105.01934	4.3
106.04118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	L-Glyceric acid
Peak:m/z	Relative Intensity
58.00591	1.1
59.01381	24.7
60.01704	0.7
63.96241	58.1
64.97031	1.5
70.20873	1.4
72.99311	85.8
73.99658	1.6
75.00876	31.3
76.01219	0.8
76.04585	0.7
80.08891	0.6
86.99091	1.1
87.00887	2.1
89.97826	3.9
96.32252	0.6
103.00356	0.6
105.00195	3.9
105.01939	100.0
106.02278	3.2
121.62312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02961	0.4
75.00871	0.6
83.01385	0.8
85.02952	3.8
87.00868	0.8
89.02458	0.3
93.03460	1.0
95.01385	1.0
99.00876	1.3
103.00366	0.5
107.01375	2.3
109.02954	0.5
113.02455	5.4
115.00358	0.5
117.01939	0.3
117.03456	1.0
119.05006	0.3
125.02396	0.3
132.02180	4.9
133.02919	1.1
134.03741	3.3
135.00871	1.1
135.04520	0.3
143.04993	0.8
145.02924	0.4
145.06566	0.3
147.04500	0.3
149.05988	0.6
151.00372	4.7
155.04976	0.4
157.06659	0.4
159.04482	0.8
160.01654	13.8
161.02469	2.4
161.06076	0.3
163.00391	2.1
164.01135	1.0
167.04968	0.5
169.01454	0.7
169.06612	0.5
171.04500	0.6
173.06075	0.3
175.02464	1.6
175.03972	9.4
176.04318	0.3
178.02740	0.4
178.99843	0.4
179.03561	0.4
183.04483	1.5
185.02464	0.5
185.06090	1.7
187.03990	2.1
189.05493	0.6
193.05070	2.3
195.04507	0.7
197.05975	0.4
199.04030	1.0
201.05656	0.4
211.03979	2.8
212.04684	0.5
213.05510	1.2
214.02591	0.4
215.03618	0.3
227.03487	31.1
228.03951	1.7
229.05046	7.4
229.07201	0.6
239.03499	1.6
240.04271	0.4
241.05060	1.6
248.09006	0.3
255.02974	61.6
256.03610	7.9
257.04523	5.0
258.04837	0.4
267.02942	0.9
269.04736	0.7
283.02466	4.8
284.03250	62.0
285.04016	52.2
286.04343	3.4
297.03925	0.3
298.04715	0.8
299.05612	1.5
327.05060	0.4
339.05090	0.4
541.15802	0.7
602.64813	0.3
633.14325	0.6
651.15216	1.9
767.19354	0.5
785.19281	1.0
788.93018	0.4
827.20410	100.0
828.20691	16.0
869.21906	0.8
899.22223	0.6
1003.23608	11.3
1004.24310	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.226
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99314	0.7
73.02957	0.3
75.00884	1.0
81.55095	0.2
83.01392	0.9
85.02945	4.3
85.03443	0.3
87.00877	0.9
89.02470	0.8
89.03972	0.2
91.01890	0.3
93.03465	1.3
95.01385	1.4
98.20644	0.4
99.00878	1.7
101.02431	0.5
103.00371	0.6
107.01398	2.6
108.02221	0.2
109.02950	0.5
112.89663	0.2
113.02451	6.1
117.01942	0.6
117.03453	0.6
119.01378	0.2
119.05070	0.2
123.00832	0.3
125.02457	0.4
125.87662	0.2
129.01935	0.5
132.02170	6.0
133.03026	1.1
134.03740	3.8
135.00879	1.4
135.04509	0.6
137.02412	0.4
141.03442	0.2
143.05046	0.8
145.02982	0.6
149.06120	0.6
151.00380	3.9
153.01959	0.4
154.04205	0.2
155.05067	0.3
157.06572	0.5
158.03735	0.3
159.04497	1.0
160.01657	12.7
161.02461	2.3
163.00381	2.2
164.01138	0.7
165.01901	0.3
167.04982	0.4
169.01434	0.5
169.06552	0.7
171.04483	0.8
173.02397	0.2
173.06131	0.2
175.02470	1.6
175.03967	8.7
178.02686	0.5
178.99861	0.5
179.03500	0.3
183.04509	1.8
185.02399	0.6
185.06061	1.5
187.03999	2.1
189.05556	0.8
190.99924	0.2
193.05058	2.6
195.04546	0.5
196.05179	0.4
197.06064	0.6
199.03909	1.1
200.04755	0.7
201.05638	0.5
204.18260	0.2
211.03987	2.8
212.04662	0.5
213.05495	1.3
214.02763	0.4
215.03432	0.5
227.03494	31.3
228.03897	1.8
229.05023	7.2
230.05318	0.3
239.03459	1.5
240.04254	0.8
241.05025	1.8
243.03047	0.2
255.02975	57.3
256.03610	7.2
257.04532	4.2
265.11133	0.3
267.02954	0.7
268.03693	0.2
269.04514	0.8
283.02463	4.9
284.03247	62.0
285.04010	51.7
286.04391	2.5
287.30127	0.2
298.04938	0.7
299.05679	1.4
327.05222	0.2
353.79102	0.2
527.14148	0.3
541.15594	0.7
562.31335	0.2
591.13116	0.6
601.94580	0.2
619.26196	0.2
633.14478	0.4
651.15350	1.6
767.17761	0.6
785.19592	0.7
827.20398	100.0
828.20679	16.6
869.21631	0.4
899.23358	0.5
923.22028	0.3
941.22699	0.3
961.22693	0.5
1003.23596	9.7
1004.23932	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	1047.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99302	0.6
73.02975	0.6
75.00880	1.4
83.01390	0.9
85.02955	6.9
87.00878	0.9
89.02440	0.8
89.37201	0.3
93.03456	0.6
95.01381	1.7
98.20644	0.6
99.00897	2.7
101.02460	0.8
103.00386	1.0
106.65594	0.3
107.01382	2.5
109.02977	0.5
111.00852	0.5
113.02461	10.6
115.00388	0.5
117.01937	0.6
117.03490	0.9
125.02472	0.4
128.06187	0.3
129.01964	1.0
132.02167	4.6
133.03000	0.8
134.03752	3.6
135.00894	1.1
135.04524	0.6
139.00343	0.3
143.05043	0.5
147.04530	0.4
149.06096	0.3
149.35963	0.3
151.00369	6.7
155.03571	0.3
155.05022	0.6
157.06569	0.3
159.04495	1.0
160.01660	10.8
161.02480	2.5
161.04579	0.5
162.44806	0.3
163.00372	1.0
164.01144	0.5
167.04964	0.3
169.01422	0.6
169.06662	0.5
171.04485	0.7
175.02475	2.7
175.04012	6.3
176.04408	0.4
178.99895	0.4
179.03418	0.4
182.03677	0.5
183.04517	3.3
185.02483	0.7
185.06136	0.8
186.48672	0.3
187.04004	1.1
193.05040	2.0
199.03983	0.9
200.04747	0.3
201.05576	0.4
211.03970	2.8
213.05568	0.7
227.03503	32.5
228.03978	1.5
229.05029	2.9
239.03502	1.2
241.04941	0.7
255.02992	72.0
256.03598	7.0
257.04532	2.5
267.03015	0.6
269.04504	1.3
281.04630	0.4
282.53241	0.3
283.02493	13.4
284.03265	71.2
285.04022	28.4
286.04352	1.4
298.04834	0.7
299.05652	0.9
309.03976	1.2
351.05264	0.4
364.51407	0.3
573.12299	0.8
591.13733	0.9
633.14551	3.1
651.15588	3.6
652.15826	0.6
665.18146	0.6
767.18298	1.3
785.19006	1.5
799.45746	0.3
827.20453	100.0
828.20691	13.4
869.21918	0.6
961.22729	0.7
1003.23651	13.3
1004.23230	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	104.9839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49157	1.5
59.01374	6.5
63.94463	100.0
63.96236	12.5
64.94415	2.0
64.95246	26.5
66.54742	1.5
69.95233	6.2
70.99609	9.3
72.99314	21.8
73.01175	29.5
75.00879	9.7
75.66991	1.4
89.97813	12.9
93.70257	1.7
104.98384	79.5
105.00172	3.1
105.01943	25.8
105.98763	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	104.9839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96039	0.8
59.01380	10.8
63.94464	100.0
63.96242	29.4
64.94402	1.4
64.95244	28.7
69.66128	5.3
70.99608	16.0
72.99311	43.5
73.01170	36.5
74.01501	1.0
75.00877	14.5
87.92542	0.8
89.97810	28.7
90.98176	0.8
98.19874	1.6
104.98386	91.9
105.00113	7.6
105.01933	49.1
105.02988	1.1
105.98704	2.6
106.02291	2.4
106.04111	1.4
114.42312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04702	0.6
56.22750	0.7
58.81353	0.6
58.94392	0.7
59.01380	4.7
60.63326	0.6
63.94464	100.0
63.96240	13.1
64.69665	0.6
64.94414	1.5
64.95248	29.5
68.13190	0.7
70.99604	9.7
71.18514	1.8
72.99312	17.5
73.01170	31.8
74.01520	1.4
74.43654	0.7
74.84136	0.6
75.00867	5.5
89.97810	12.5
98.05470	0.8
104.98386	78.2
105.01933	20.2
105.98760	1.9
118.32493	0.8
119.42733	0.7
121.62823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19086	0.6
54.93892	0.8
59.01383	6.4
63.94464	100.0
63.96241	18.6
64.94396	0.8
64.95248	26.7
69.33832	0.7
69.64376	1.9
69.64809	2.5
70.99602	10.3
71.26537	0.7
72.99310	25.3
73.01172	40.7
74.01507	1.3
75.00874	8.5
75.42287	0.8
86.66985	0.7
89.97808	16.3
104.98386	74.1
105.01938	29.5
105.98756	1.9
106.02275	1.5
107.60880	0.7
117.28053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01743	0.9
72.99321	2.9
73.02946	29.9
81.03447	1.7
83.01382	14.2
83.05023	2.0
84.27921	0.9
85.02950	14.4
87.00916	1.9
89.02442	21.4
95.01382	3.1
95.05052	0.9
97.02959	2.9
97.06607	2.4
98.03799	0.8
99.00885	2.1
99.04488	2.0
101.02446	58.0
102.02841	1.3
103.22197	0.8
113.02448	31.5
113.03241	1.5
113.06103	7.1
119.03497	13.8
119.53730	0.8
121.06587	1.3
123.08184	2.1
124.05217	0.9
125.02417	4.2
125.06085	1.1
131.03513	6.1
134.03751	1.5
135.04536	1.2
135.08165	2.2
135.56815	0.9
137.06076	1.2
137.09708	8.8
138.89149	0.8
139.07668	4.0
141.09193	1.8
143.03499	9.3
149.04559	16.8
149.05888	1.1
151.07664	2.7
151.11296	1.4
152.01027	1.1
153.09241	6.6
161.04556	40.5
161.09691	5.4
162.05025	1.2
163.11308	4.8
165.09180	10.1
175.07631	2.9
179.05605	11.3
179.10770	3.6
187.11259	6.8
189.09143	1.1
193.12350	2.3
203.05583	10.0
205.12329	17.2
205.14249	1.2
208.11073	2.5
221.06664	29.5
221.11751	1.6
223.13385	60.4
224.13780	2.6
225.14975	3.3
241.14441	7.5
284.03201	1.0
285.04187	1.6
309.08826	1.9
341.11209	1.0
353.34650	0.9
367.17374	2.1
385.18665	4.7
387.20236	17.1
388.20889	1.5
403.19836	4.4
427.19730	5.9
445.20764	56.1
446.20847	3.9
482.51376	0.9
489.19635	1.9
549.25513	100.0
550.25848	6.4
661.04108	0.9
845.22961	1.7
877.25201	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	1039.6007
Annotation	Unknow
Peak:m/z	Relative Intensity
78.31507	0.3
78.95906	53.5
96.96963	5.7
125.90061	0.3
135.16125	0.3
141.93311	0.3
150.98021	2.0
152.99591	100.0
153.99982	0.7
171.00647	3.5
176.28810	0.3
279.23340	0.9
433.23593	28.2
434.24088	1.5
520.26819	34.2
521.27185	2.7
540.64563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50024	0.3
72.99317	0.3
74.08170	0.3
83.01378	1.3
85.02967	1.0
87.00896	0.5
89.02461	0.5
91.01871	0.5
92.17137	0.2
93.03454	0.3
95.01379	0.5
98.20684	0.5
99.00919	0.4
101.02437	0.5
104.49892	0.2
107.01379	3.5
108.02179	1.3
109.02975	0.9
113.02477	1.3
115.00344	0.2
116.02773	0.2
117.03461	2.5
119.01353	0.3
119.05029	1.3
121.02972	1.6
123.00838	0.4
125.02459	0.6
133.02902	0.4
135.00890	1.0
135.04527	0.3
145.02965	4.7
148.01683	1.6
149.02472	0.4
151.00375	10.9
152.00729	0.3
159.04472	0.4
160.01561	0.6
161.02458	0.9
163.00388	1.9
163.04016	1.0
164.01158	0.8
165.01971	0.3
169.01439	1.1
171.04509	0.5
175.02490	0.3
175.04002	0.7
178.99860	6.3
179.05713	0.4
183.04497	0.6
187.03966	0.6
190.99852	0.5
192.00674	0.7
193.01349	0.6
198.03304	0.3
199.03954	1.6
200.04771	0.3
201.01917	0.6
203.03590	0.5
207.13879	0.5
211.04073	1.3
215.03494	1.2
216.04271	0.8
226.02629	1.7
227.03497	3.4
228.04042	0.3
229.05042	0.9
241.05011	0.3
242.02025	0.3
243.02979	13.3
244.03546	1.2
245.04485	0.6
254.02188	2.5
255.02982	29.9
256.03391	2.2
257.04700	0.5
271.02466	65.7
272.03033	6.0
273.03979	1.0
283.02371	1.2
284.03317	1.4
285.03925	1.5
286.04578	0.3
299.01984	5.8
300.02747	100.0
301.03430	24.2
302.03867	1.3
313.03436	0.6
314.04251	0.5
342.03702	0.4
367.07895	0.3
429.21167	0.7
559.23566	0.3
607.13080	0.6
667.15027	1.6
771.17725	1.1
813.18823	78.9
814.19135	11.1
827.20428	0.4
855.19891	1.0
885.21405	0.7
917.27856	0.4
947.20386	0.6
971.22382	0.4
989.22003	17.2
990.22247	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	1.3
85.02943	1.3
87.00859	0.5
89.02439	0.7
95.01406	0.8
99.00913	0.8
101.02444	0.7
107.01392	3.5
108.02160	1.1
108.72588	0.4
109.02975	1.0
113.02442	1.0
116.12263	0.3
117.03473	1.9
119.05037	1.3
121.03011	2.1
121.03715	0.4
133.02936	1.1
133.76787	0.4
135.00885	0.8
135.04530	0.5
137.02443	0.4
145.02957	4.9
148.01694	1.3
151.00377	11.0
159.04460	0.6
161.02415	1.9
163.00441	1.9
163.04001	1.1
164.01157	0.7
169.01520	0.6
171.04506	0.4
177.01976	0.4
178.99863	4.7
183.04575	0.4
187.03992	0.9
190.99884	0.4
192.00577	0.5
193.05151	0.6
198.03168	0.4
199.03961	1.0
202.02739	0.6
203.03462	0.4
211.04012	1.5
215.03558	1.4
216.04312	0.9
226.02736	2.1
227.03502	4.4
229.05078	0.7
239.03633	0.4
243.02953	13.4
244.03670	0.7
245.04504	0.6
254.02242	2.5
255.02974	31.6
256.03366	1.6
257.04565	0.6
271.02475	70.7
272.03012	6.1
273.04132	0.4
283.02448	1.7
284.03284	1.3
285.04117	2.6
299.02008	5.1
300.02750	99.4
301.03445	22.1
302.03787	0.9
313.03659	0.7
314.04449	0.5
335.67758	0.4
342.03796	0.4
367.08026	0.4
376.43793	0.4
393.08859	0.3
406.17892	0.4
578.06122	0.4
580.24207	0.4
607.13416	0.6
625.13690	1.4
626.14557	0.4
667.15265	1.2
673.99487	0.4
722.27032	0.5
771.18134	1.0
813.18829	100.0
814.19250	14.4
827.19928	0.6
855.19592	0.6
877.04596	0.4
883.18677	0.5
885.21002	1.0
909.20404	0.5
947.21167	0.7
967.13580	0.4
989.22101	17.2
990.22388	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	1019.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61984	2.2
73.56297	1.4
78.95906	18.4
83.87539	1.4
84.19183	1.4
92.27330	1.4
97.93291	1.4
152.99580	31.1
171.00668	1.8
175.37553	1.5
184.00189	4.9
194.95641	1.5
215.41896	1.4
221.89424	1.3
225.88455	1.3
227.03300	3.8
248.07954	8.2
248.58287	1.7
277.21725	63.8
277.24756	3.3
278.22000	3.7
287.05368	1.5
302.27994	1.6
505.25711	100.0
506.25925	8.7
893.93231	1.5
1011.38147	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	1030.379
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61366	0.9
71.63992	0.5
72.99284	0.9
78.39341	0.5
83.01360	0.6
85.02951	1.7
89.02448	4.4
95.01382	0.5
99.00916	0.6
101.02429	4.6
106.06638	1.8
113.02444	2.4
119.03506	1.8
122.06110	3.5
134.06123	11.0
152.07164	1.8
161.04692	0.7
171.73843	0.5
173.00909	0.9
174.05623	0.8
193.04947	0.6
223.08760	1.1
237.10381	1.5
239.11877	2.5
241.13405	0.6
247.02870	0.6
251.08264	1.5
251.11850	1.3
264.09021	2.2
265.09769	2.4
277.09592	1.3
279.11429	5.2
281.13214	0.6
285.04358	0.7
285.12244	0.7
291.11310	1.6
292.08475	0.8
295.11203	0.7
307.10861	1.5
314.12390	1.2
323.10196	0.9
337.11938	0.8
349.67496	0.6
360.17090	2.0
370.15775	0.8
384.17163	2.2
386.14948	1.7
402.18286	0.8
428.16165	1.9
430.17404	0.7
440.16293	0.8
444.30710	0.6
460.18823	1.1
472.18643	0.7
490.19550	0.6
547.23584	0.6
593.24646	0.7
607.25989	0.6
610.23987	0.9
623.25568	0.6
650.23749	1.0
651.24402	1.1
682.26428	1.0
687.30585	1.8
713.27899	0.7
729.30994	2.1
737.29456	1.3
755.29285	4.5
769.30847	2.0
773.30450	13.9
774.31012	2.4
787.31964	50.0
788.19208	0.8
788.32440	7.1
797.28638	0.7
805.33014	100.0
806.33301	18.3
847.34265	4.5
848.33984	1.1
935.35327	1.6
936.34900	0.7
993.49902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00875	0.9
83.01383	0.5
85.02949	3.9
87.00887	0.7
93.03451	1.3
95.01364	1.2
99.00877	1.2
101.02466	0.5
101.40655	0.4
107.01379	2.9
109.02966	0.5
113.02451	4.2
117.03468	11.2
119.05023	3.1
125.02414	0.6
132.02180	1.1
135.00908	0.7
143.05035	0.7
145.02959	20.8
145.04102	1.1
146.03253	0.7
151.00363	5.0
154.04167	0.6
159.04515	0.9
163.00362	1.8
163.04002	2.0
164.01158	0.6
166.22507	0.4
167.05031	0.7
169.06564	0.6
175.02490	1.4
175.03972	0.6
178.99840	0.5
183.04498	1.6
185.02480	0.8
185.06024	1.4
187.03976	2.2
189.05475	0.6
197.06027	0.6
199.03969	0.6
200.04782	0.6
201.05550	0.8
211.03990	2.6
212.04631	0.9
213.01956	0.6
213.05531	1.1
227.03487	29.3
228.03876	1.7
229.05031	6.0
230.05173	0.5
239.03427	1.1
239.98907	0.5
240.04251	0.7
241.05090	1.3
243.02977	0.7
255.02983	49.7
256.03592	7.8
257.04492	4.5
283.02499	3.4
284.03259	55.9
285.04019	51.2
286.04370	3.3
293.40701	0.5
436.62183	0.5
511.14291	0.8
591.13220	0.5
627.12036	0.4
651.15674	1.9
755.17615	1.2
797.19330	100.0
798.19739	17.2
890.01965	0.5
931.20996	1.0
973.22632	12.4
974.23621	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	1017.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95489	2.2
71.01386	36.9
71.60321	2.6
72.99303	8.5
73.02942	8.3
75.00874	27.4
83.01384	5.7
85.02946	30.0
87.00877	16.2
89.02439	7.7
95.01365	6.3
97.02962	4.0
99.00892	19.7
101.02452	22.3
111.00870	2.6
113.02444	37.6
115.00336	2.4
115.04050	4.2
117.01929	2.9
125.02462	5.2
129.02037	2.2
131.03500	9.3
132.02184	9.2
134.03746	23.9
135.71846	2.1
137.02481	2.9
139.00357	3.3
149.06131	3.0
157.01357	3.7
160.01653	21.5
161.02473	4.6
161.04579	8.8
173.04558	2.2
175.02501	5.0
175.04012	13.4
175.06142	7.0
178.02728	3.8
193.03514	11.4
193.05099	14.9
198.30659	2.1
221.06625	6.4
235.04622	13.8
265.05618	2.7
284.03128	3.3
295.06778	7.0
337.07617	3.0
355.08514	3.0
379.08914	7.3
383.12167	3.4
397.09854	37.5
401.23816	2.5
457.12061	6.5
488.96039	2.3
721.41400	2.4
791.00098	2.9
821.83087	2.8
823.23749	25.7
841.24780	20.4
1017.29498	100.0
1018.28851	19.0
1019.69446	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	101.0068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	11.7
56.02205	0.6
57.03455	0.8
58.00593	0.9
58.90784	0.2
59.01376	9.8
60.01723	0.3
61.83905	0.2
61.98822	1.0
63.94932	0.2
64.54097	0.2
68.19785	0.3
69.53645	1.2
69.54059	0.5
70.99599	1.0
71.01382	7.0
72.01721	0.3
72.99314	1.0
73.00760	0.5
73.01172	11.9
73.02947	12.8
73.64273	0.2
74.01489	0.4
74.03286	0.3
83.01391	0.6
89.85400	0.2
98.19810	0.4
99.92635	0.3
100.92603	0.6
100.94642	0.3
101.00667	100.0
101.02435	6.6
101.06049	0.7
102.01036	3.9
102.05606	0.7
115.92109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91044	0.2
55.01881	10.8
56.02224	0.4
56.10611	0.3
57.03446	1.2
57.43044	0.3
58.00586	1.2
59.01383	11.5
61.98832	0.6
68.42606	0.3
68.95065	0.3
70.99591	1.1
71.01382	8.3
71.61996	0.3
72.99298	1.5
73.00764	0.6
73.01173	11.6
73.02950	16.0
74.01515	0.4
74.03262	0.3
83.01416	0.5
86.00082	0.3
87.00898	0.3
99.92580	0.4
100.92578	0.8
101.00669	100.0
101.02435	8.5
101.06104	0.8
102.01040	3.6
102.02757	0.5
102.05619	0.9
115.92061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
76.50982	71.5
91.48969	68.3
98.37268	79.4
125.15522	71.5
140.30576	92.0
215.45615	83.3
233.80270	75.4
295.80246	90.0
324.17993	87.4
382.66666	88.0
597.51074	100.0
634.62024	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.1
75.00871	1.0
75.55509	0.5
79.55489	0.6
82.71965	0.5
83.01372	1.2
85.02954	5.2
93.03408	1.1
95.01348	1.0
98.20642	1.1
99.00862	1.6
107.01375	2.6
113.02433	5.8
117.03470	10.4
118.03804	0.6
118.42020	0.6
119.05022	3.6
122.17857	0.6
132.02129	0.8
135.00879	1.1
139.67880	0.5
145.02953	20.6
148.80141	0.5
151.00359	4.5
157.01402	0.5
159.04480	1.2
163.00287	1.3
163.04008	1.7
164.01100	0.8
169.06598	0.7
171.04526	1.0
175.02467	1.8
182.43950	0.5
183.04510	1.3
185.06035	1.3
187.03989	1.3
197.06107	0.6
199.04018	0.7
201.05502	0.8
211.03960	2.5
212.04674	0.6
213.05455	1.0
227.03497	25.4
228.03847	1.3
229.04945	5.5
239.03448	1.5
241.05000	1.3
255.02980	50.6
256.03625	6.4
257.04477	4.4
283.02454	4.8
284.03259	64.3
285.04022	48.8
285.06485	0.6
286.04413	2.2
436.35370	0.6
493.14859	0.7
633.14417	0.7
651.15643	3.0
797.19305	100.0
798.19690	11.3
973.22815	8.4
974.22125	1.1
1013.85846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	31.3
72.99332	1.8
73.01172	3.6
73.02950	8.9
83.01390	3.9
85.02946	9.1
87.00874	6.6
89.02454	21.8
95.01395	3.2
97.02950	6.7
98.20638	2.9
99.00892	2.2
101.01776	1.6
101.02447	33.2
111.00899	1.0
113.02459	17.7
115.04039	1.4
117.03474	2.6
119.03525	8.9
125.02457	5.0
131.03522	4.4
132.02179	34.7
133.02557	1.1
134.03735	17.3
138.64943	1.1
143.03519	7.0
149.06049	2.4
160.01665	100.0
161.02052	4.3
161.04559	37.7
175.04008	83.8
176.04402	3.9
178.02678	2.3
179.05617	24.2
180.06085	0.9
191.05600	2.7
191.07138	2.0
193.05074	25.8
194.05443	1.6
217.05043	11.5
221.06688	14.8
229.60370	0.9
235.06116	7.7
235.44476	1.1
259.06201	1.3
263.07675	4.8
305.09045	1.0
323.09967	1.6
323.13412	19.3
324.13910	1.1
341.10889	16.3
355.10403	2.8
383.11932	25.8
384.12216	1.5
397.11310	2.2
457.13196	3.5
468.74484	1.0
499.14746	1.2
503.16101	2.6
517.15753	5.9
527.16888	1.1
545.17261	9.2
549.13153	1.0
559.16711	37.2
560.17151	3.3
585.12598	1.0
619.18176	2.5
679.21320	3.3
689.36700	1.0
708.32721	1.1
721.22046	14.4
722.22272	2.6
752.29205	1.2
1003.31433	8.0
1004.32074	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	1003.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	12.8
72.99303	1.1
73.02926	0.9
83.01404	0.9
85.02946	4.6
87.00871	1.2
89.02446	8.1
95.01388	1.5
96.95976	0.6
97.29292	0.6
98.20623	1.4
99.00866	0.5
101.02443	8.3
104.05027	0.7
106.06628	3.1
107.03782	0.8
109.02868	0.8
113.02450	5.8
117.03443	1.4
117.76305	0.5
119.03507	3.3
120.08165	2.1
122.06123	6.7
125.02422	0.8
127.55672	0.6
129.94617	0.6
131.03433	0.7
132.04553	0.9
134.06126	19.5
136.07666	0.9
145.02934	0.6
148.03957	0.8
151.00330	1.0
152.07164	4.2
160.04012	1.2
161.04652	0.9
167.44754	0.6
179.05690	0.8
190.05165	1.5
223.08769	2.4
224.09529	0.9
225.10272	1.3
227.03525	1.3
237.06670	1.2
237.10310	2.2
238.10864	0.8
239.11916	3.5
239.86662	0.7
241.13344	1.3
249.06511	1.0
249.10417	1.4
250.07573	0.9
251.08209	2.6
251.11848	2.1
253.09825	0.9
253.13454	0.9
255.02954	2.8
263.08304	2.0
263.11911	0.9
264.09033	3.2
265.09766	4.2
276.09015	0.7
277.09894	2.1
278.10562	1.1
279.11349	7.7
280.11902	1.1
281.12946	1.5
283.10864	0.9
284.03259	4.2
285.04062	3.2
285.12527	0.9
291.11334	1.6
292.11938	1.0
293.09055	0.7
305.58887	0.7
307.10712	2.0
314.12424	2.4
323.10458	0.6
337.11951	1.6
339.13846	0.8
342.12164	0.9
342.16022	0.7
358.19214	1.1
359.16342	1.4
360.17188	3.3
370.11450	0.8
370.15637	1.4
373.22397	0.8
384.17401	3.4
386.15149	2.3
386.19226	1.1
398.14880	0.9
402.18106	2.1
402.23303	0.6
405.21387	0.8
414.18399	1.0
426.18356	0.8
428.16187	2.1
430.17532	0.7
440.16043	1.0
460.19022	2.0
472.18811	1.1
473.19333	0.6
488.18347	0.7
490.19681	1.5
494.76279	0.7
547.23450	0.8
575.22675	0.9
606.24670	1.4
607.25415	1.0
610.23792	1.7
611.25677	0.7
650.23383	1.4
651.24554	1.3
658.58319	0.7
679.35577	2.6
682.25977	1.2
687.30383	0.9
713.28156	0.8
729.31830	2.2
755.29242	4.6
756.29675	0.9
769.31195	2.0
773.30450	19.2
774.30640	3.1
787.31970	46.1
788.32220	9.7
797.18884	1.6
805.33026	100.0
806.33252	17.7
823.17542	1.4
829.32654	0.8
847.34363	5.3
894.31793	0.7
935.35870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	35.1
71.60520	0.9
71.60909	0.9
72.99315	1.2
73.02946	6.9
79.93970	2.6
81.03489	1.4
83.01385	2.6
85.02953	22.2
87.00884	4.6
89.02444	19.2
92.44166	0.8
95.01378	11.3
97.02968	4.7
99.00886	2.0
99.25311	0.8
101.01772	1.2
101.02446	24.4
113.02450	55.7
114.02750	1.8
115.04028	1.0
117.03487	2.1
119.03487	7.3
120.97890	4.5
125.02443	7.4
131.03511	4.3
132.02170	34.4
134.03741	14.5
139.00357	0.9
143.03488	9.2
145.02940	2.3
147.04512	0.8
149.04411	0.9
149.06091	1.6
160.01657	100.0
161.02071	2.7
161.04558	54.5
162.04944	1.5
173.04483	1.2
175.03993	83.3
176.04485	4.8
178.02765	2.3
179.05603	26.8
179.07185	1.5
191.07108	3.1
193.05040	24.7
202.02641	0.8
217.05058	13.0
221.06656	7.0
235.06093	10.8
248.79840	1.0
259.05948	1.1
263.07681	2.4
284.03601	1.0
293.12491	0.9
319.08420	1.1
323.09982	0.8
323.13467	2.2
337.09332	2.9
341.10831	11.0
355.10370	5.9
383.11942	14.8
397.11618	1.4
449.13126	2.1
457.13644	4.4
467.14258	2.6
499.14774	0.9
517.15674	6.4
518.15723	1.3
545.17200	0.9
559.16675	47.1
560.16669	4.1
574.00995	0.8
619.18781	1.4
714.46863	0.9
721.22034	1.2
795.83997	0.9
809.25342	1.6
847.49725	1.0
985.31152	1.3
1003.31128	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	1003.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	4.4
71.61609	1.4
72.99318	1.0
73.02994	1.0
83.01379	1.5
85.02950	6.3
86.61338	0.9
87.00868	1.3
89.02483	1.0
93.03433	1.0
95.01398	2.5
96.00900	1.0
99.00900	2.5
99.04532	1.7
101.02435	1.5
107.01395	2.9
109.30206	0.9
113.02455	7.6
117.03474	2.5
119.05025	1.2
125.02458	1.9
132.02168	6.7
133.02914	1.1
134.03758	4.7
145.02956	3.6
150.04251	0.9
151.00391	4.3
159.04443	1.0
160.01653	15.2
161.02380	3.2
163.00351	3.2
164.01091	0.9
171.04541	1.2
175.02541	1.4
175.04005	12.1
178.02696	1.7
183.04501	2.0
185.06035	1.7
187.03993	1.6
193.05011	5.1
195.04588	1.1
199.04016	1.5
203.76617	0.9
211.03899	2.7
213.05585	1.7
227.03500	34.4
228.03947	2.4
229.05054	6.3
230.05388	1.0
239.03528	1.3
241.05121	1.5
255.02980	73.3
256.03577	8.4
257.04614	5.2
283.02496	11.1
284.03259	81.4
285.04028	63.4
285.06461	0.7
286.04312	3.5
299.05481	1.3
374.17361	1.1
375.17026	0.9
609.14325	9.3
610.15002	2.9
651.15765	2.5
797.19440	17.0
797.32843	0.7
798.19556	2.8
827.20422	100.0
828.20685	17.5
869.20892	0.9
1003.23492	14.2
1004.23700	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	997.6257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40098	0.3
69.40514	0.8
70.06597	0.9
71.06980	0.2
71.07380	2.7
79.05476	0.2
80.29366	0.1
81.07060	0.6
84.98289	0.1
86.09710	29.7
87.10047	0.2
93.07014	0.1
95.08604	0.3
97.82608	0.1
98.98473	2.7
104.10746	2.4
105.07068	0.1
107.41208	0.1
125.00011	19.2
138.82036	0.1
143.01064	0.3
155.08188	0.2
181.09727	0.2
184.07350	100.0
185.07692	0.5
272.73102	0.1
337.27484	0.4
502.32999	1.8
520.34021	19.6
521.34546	0.6
651.65137	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	997.6258
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	1.2
70.06593	1.8
71.07380	6.1
71.55837	0.5
79.05516	0.9
81.07045	2.3
86.09710	51.7
93.07069	0.7
95.08598	1.8
98.98473	3.7
104.10750	94.9
105.07008	0.6
105.11085	0.6
109.10139	0.7
121.63183	0.3
125.00013	28.8
149.02377	0.8
163.01570	1.1
167.89200	0.3
184.07355	100.0
185.07819	0.7
193.04970	0.8
223.24075	0.4
258.11127	0.7
267.38589	0.4
337.27469	1.0
428.73123	0.4
502.32956	9.6
520.34021	94.7
521.34155	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	1003.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	5.4
71.61464	0.5
71.61839	0.8
72.99308	0.8
73.01159	0.4
75.00865	1.1
83.01385	1.9
85.02956	6.3
87.00873	1.0
93.03467	1.5
95.01402	1.5
99.00893	2.5
99.04539	0.7
101.02470	1.0
102.32871	0.5
103.00361	0.6
107.01361	2.3
108.02174	0.5
109.02914	0.5
113.02442	8.2
115.00381	0.7
117.03446	2.1
119.05005	0.8
123.00850	0.7
125.02424	0.9
132.02177	5.7
133.02921	1.0
134.03748	4.9
135.00880	1.4
135.04523	0.5
136.99146	0.6
143.05084	0.7
145.02954	3.6
149.06067	0.9
151.00343	5.3
157.06619	0.9
159.04451	0.5
160.01657	15.8
161.02472	3.0
162.41226	0.5
163.00354	2.2
163.03986	0.7
164.01283	0.7
169.01521	0.7
169.06575	0.6
171.04512	1.0
175.02448	1.5
175.03966	11.3
178.02753	1.0
179.03481	0.7
183.04500	1.3
185.06078	1.2
187.04010	2.5
189.05540	0.8
193.05037	4.9
195.04431	0.7
211.03966	3.1
212.04684	0.8
212.96126	0.4
213.05565	1.6
214.02632	0.6
217.04942	0.5
227.03482	35.9
228.03932	1.9
229.05022	8.1
239.03473	1.9
240.04207	0.5
241.05005	1.7
255.02972	73.9
256.03595	7.8
257.04568	4.2
267.02869	0.7
269.04483	1.1
280.22787	0.5
283.02472	8.9
284.03250	83.4
285.04010	64.6
286.04404	4.1
298.05066	0.8
299.05573	1.6
357.14267	0.6
609.14478	3.8
610.14313	0.8
633.14111	1.0
651.15820	2.4
671.06915	0.6
767.18451	0.6
797.19336	16.6
798.19897	2.5
827.20404	100.0
828.20685	16.4
1003.23322	15.2
1004.23059	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	994.608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	3.1
69.07059	3.5
70.06577	1.6
71.54977	1.4
73.02904	2.3
79.05500	20.3
80.05003	2.0
80.13032	1.0
81.03400	1.2
81.05754	1.9
81.07062	18.6
82.06578	3.5
83.08598	2.4
83.19705	1.0
84.04499	2.2
84.08153	5.7
85.02919	6.5
86.06060	1.2
91.03944	1.5
91.05487	13.6
93.07042	14.2
94.06573	9.2
95.04952	2.3
95.08608	13.7
96.08141	3.1
97.02876	7.0
97.06509	1.2
98.09698	1.2
105.07032	9.7
106.06564	1.4
107.07288	1.1
107.08593	10.5
108.08086	2.0
109.10149	6.5
110.09682	2.1
112.07607	2.0
114.09129	1.9
117.07022	4.7
119.08604	7.7
120.08124	1.5
121.10147	7.2
122.09657	2.1
124.11224	3.6
127.03905	1.8
129.07034	1.6
131.08528	4.7
133.10146	4.6
134.09630	2.5
135.11679	3.8
143.08571	1.2
145.10132	4.3
147.11674	4.0
148.34944	1.2
149.13252	1.4
152.10716	1.8
157.10118	2.2
159.11691	1.9
161.13322	1.6
163.11031	1.3
164.14378	2.6
171.11862	1.1
173.13322	1.3
175.17462	1.1
220.16927	3.1
233.94479	1.2
260.10861	1.4
260.20285	1.1
262.34897	1.1
300.23248	2.7
301.21509	1.2
318.24228	4.8
334.23792	1.1
335.25772	9.5
362.59479	1.1
377.57266	1.2
392.27725	4.4
410.29059	1.6
612.45563	1.6
652.49408	5.4
670.50439	100.0
671.50568	5.0
693.50488	1.2
814.54199	4.8
832.55627	50.3
833.54932	4.3
994.61163	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	986.6058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	7.9
69.07069	24.3
71.05001	3.7
71.11219	4.2
73.02909	3.0
79.05499	70.0
79.05963	3.6
81.03429	9.3
81.07064	86.0
83.04988	10.7
83.08624	13.1
85.02921	11.3
85.06559	3.1
91.05486	54.0
93.06470	3.9
93.07053	77.2
94.68829	1.9
95.04969	8.6
95.08611	50.4
97.02894	8.1
97.06519	8.4
97.10175	5.2
98.56596	2.1
99.08081	3.1
105.07045	40.4
107.05000	4.5
107.08601	37.4
109.02878	2.4
109.06509	6.8
109.10164	23.1
111.08104	5.3
113.09639	2.1
115.05507	3.1
117.07026	21.4
119.08585	33.4
121.06553	2.8
121.10151	29.8
123.08070	3.7
123.11684	5.1
125.09650	4.0
127.03892	5.4
128.06209	3.9
129.07004	6.7
131.08577	28.5
133.06485	2.8
133.10149	26.4
135.08063	3.2
135.11705	17.3
137.09604	2.2
137.13240	2.6
141.07011	1.8
143.08557	6.8
145.04924	2.4
145.10165	21.4
147.11700	12.8
149.09610	6.4
149.13284	11.9
155.08572	3.8
156.89478	2.4
157.10126	6.7
159.11694	16.8
161.13277	6.5
163.11230	2.9
163.14890	4.3
169.10133	5.3
171.11673	3.5
173.04465	3.8
173.11960	2.3
173.13237	9.8
175.14839	4.5
179.14282	2.1
181.72987	2.2
183.11745	5.0
185.13174	3.5
187.14859	3.3
189.16386	3.2
197.13269	2.2
199.14847	3.1
213.16367	1.8
217.15926	2.4
229.14296	3.6
239.18016	3.3
239.90591	2.2
243.21173	4.5
243.29422	2.1
255.15849	4.2
257.19061	7.5
258.01743	2.1
261.22107	10.3
269.17548	20.1
275.20068	20.8
291.19595	2.9
293.20941	3.7
309.20609	12.3
317.24948	3.2
331.22897	2.9
333.24307	4.5
335.25839	100.0
336.26193	2.0
349.23856	27.4
367.24667	4.2
425.49762	2.1
473.35745	1.8
489.35712	5.0
515.37207	13.5
529.38959	64.8
543.40552	2.9
569.33960	2.7
569.42065	33.6
578.29077	1.9
591.43958	2.3
609.45203	37.6
627.46228	11.7
673.42737	3.6
693.47589	2.4
810.94189	2.1
895.30988	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	975.565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.3
69.07071	0.6
70.21224	0.4
73.02917	3.1
79.05512	1.7
81.03430	1.1
81.07063	2.9
81.47495	0.4
85.02907	4.3
91.03951	2.5
91.05508	1.6
93.07040	2.3
95.08649	1.7
97.02898	5.3
99.04459	0.5
101.02414	1.6
103.03993	0.7
105.07092	0.8
107.08621	1.3
109.02869	0.6
109.10188	1.1
119.08636	1.3
121.10172	1.0
127.03954	1.5
135.11713	0.5
137.33742	0.4
147.11751	0.5
151.58607	0.4
153.09628	0.4
185.04308	1.1
201.03679	0.5
203.05347	0.9
224.91989	0.4
230.07709	0.4
243.08429	2.2
259.07950	0.4
308.19839	0.4
347.09378	2.0
405.13797	4.7
405.99979	0.4
462.29327	0.4
463.14865	0.5
465.21802	0.6
477.34055	0.5
501.35867	0.5
519.29266	4.0
535.28644	2.6
681.34668	5.3
697.34283	2.6
732.44000	0.5
753.36261	0.6
813.50043	0.7
975.56488	100.0
976.57068	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	970.6099
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	6.9
69.07072	25.6
69.50687	15.1
71.04994	4.3
73.02905	4.3
79.05493	86.1
81.07059	92.3
83.04984	3.6
83.08615	14.9
85.02910	18.0
85.06548	4.5
86.76463	2.3
87.04453	2.5
91.03971	11.5
91.04897	2.8
91.05481	83.1
93.07049	100.0
95.04973	14.9
95.08606	74.7
97.02888	11.2
97.06507	5.5
97.10157	2.5
105.04498	4.8
105.07034	81.7
107.05006	2.2
107.07864	2.8
107.08592	52.9
109.06478	3.3
109.10146	25.7
111.08080	2.9
113.09592	2.4
115.05411	2.9
117.07031	31.4
119.08588	61.2
121.10143	44.8
123.08043	2.3
123.11716	11.1
127.03941	3.9
128.06209	3.0
129.05504	2.5
129.07011	16.7
130.07887	2.6
131.08569	41.2
133.10135	57.7
135.11700	34.0
137.13141	2.7
139.11174	2.1
141.06917	4.5
143.08603	13.7
145.04933	6.8
145.10123	36.5
147.11699	45.4
147.70084	2.4
149.09621	2.5
149.13255	17.9
155.08578	3.2
157.10136	13.0
159.11690	28.5
161.13275	27.4
163.06036	9.6
163.14812	5.9
167.72136	2.1
169.10126	5.4
171.11722	16.0
173.13261	22.0
175.11198	2.3
175.14810	12.3
181.10220	2.3
183.11662	5.7
185.13278	12.5
187.14812	7.5
189.16400	4.0
195.11621	2.9
197.13269	4.6
199.14844	12.0
201.16322	3.6
209.13330	2.5
211.14841	3.3
213.16295	2.5
215.17970	3.3
231.21036	4.4
239.17976	2.8
241.19553	25.2
243.21103	4.3
257.18979	8.9
259.20587	75.2
261.22171	13.3
277.21671	2.6
313.21692	3.6
313.25079	2.6
315.23224	8.8
317.24612	4.8
331.22617	4.8
333.24249	62.9
335.25821	94.1
336.26120	5.8
337.27307	7.3
339.23007	3.0
351.25180	2.5
357.11932	2.0
367.22504	3.0
369.73056	2.0
377.28149	2.4
405.26324	2.2
417.33856	2.6
473.92511	2.1
489.35495	2.8
501.41101	2.6
519.41760	7.6
529.38495	2.7
541.38922	2.5
593.45880	20.6
611.46643	94.5
612.46893	4.1
701.47333	4.6
719.48145	3.4
755.50647	3.6
790.95392	2.1
835.60535	2.3
970.57642	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	970.6117
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	4.3
69.07072	16.5
69.45403	9.2
71.04970	2.9
73.02943	2.9
79.05495	51.5
81.03400	3.3
81.07063	67.9
83.04974	3.9
83.08637	7.5
85.02919	11.9
85.06538	3.0
91.03969	7.5
91.05486	42.7
93.07050	60.5
95.04973	5.6
95.08611	57.4
97.02896	6.7
97.06512	3.6
97.10161	3.4
99.04433	2.3
99.08073	2.0
105.07040	39.8
107.08602	38.1
109.06541	3.6
109.10156	25.4
111.04469	1.4
111.08085	2.7
111.11684	1.9
117.07018	15.1
119.08585	28.2
121.10149	28.9
123.08044	3.8
123.11703	6.2
125.09637	3.4
127.03913	2.1
128.06204	1.7
129.07014	6.5
131.08569	22.8
133.10136	27.6
135.11691	18.3
137.09561	1.8
137.13251	2.4
143.08556	5.6
145.05005	2.2
145.10121	19.4
147.11699	20.0
149.09636	2.7
149.13303	11.5
157.10138	3.9
159.11710	13.0
161.13271	11.3
163.06047	2.4
163.14822	3.2
169.10159	1.5
171.11697	7.0
173.13284	8.9
175.14832	3.6
177.12767	2.4
183.11749	1.8
185.13271	6.2
187.14804	8.8
191.14398	1.8
197.13274	2.1
199.14809	3.2
201.16368	2.8
205.15913	3.2
206.85556	1.3
220.52061	1.6
221.19023	1.7
231.20857	1.9
232.73347	1.6
241.19565	9.4
243.21190	2.8
257.18884	3.1
259.20605	22.9
261.22125	7.3
277.21640	15.8
293.20831	1.8
310.58612	1.5
315.23212	1.6
333.24228	18.9
335.25815	100.0
337.27518	3.2
351.25320	40.6
442.54462	1.4
474.08221	1.6
476.15701	1.6
489.35757	1.7
519.41638	1.6
529.38916	3.4
593.45667	4.3
594.88214	1.9
603.62280	1.7
611.46722	56.2
612.47156	2.8
656.95624	1.7
670.90088	2.1
755.50891	1.7
970.57721	31.2
991.52264	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	969.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	2.0
69.03410	2.6
70.06588	5.4
72.08138	1.3
76.64805	0.8
77.60956	0.7
79.05463	1.2
80.04990	1.4
81.03407	2.5
81.05813	1.3
81.07045	1.4
82.06577	1.2
84.08144	1.0
85.02921	5.5
85.22937	1.0
85.44666	0.8
86.09703	2.2
91.05482	3.0
93.05795	1.1
93.07060	4.0
94.06576	8.3
95.04967	1.0
95.07355	5.6
95.08609	1.4
96.08138	13.9
97.02897	2.0
97.06543	1.2
98.21508	1.8
103.05479	0.9
106.06550	1.0
107.07325	1.6
108.04440	2.3
108.08117	17.9
109.02876	2.0
110.09686	24.9
120.04485	2.2
120.08108	17.5
121.06499	0.9
122.06044	8.0
122.09660	2.9
124.07592	5.0
127.03915	2.5
129.10194	1.4
132.04459	1.2
134.06036	1.9
136.07581	15.2
136.08601	0.7
137.08296	1.4
138.09142	35.1
146.05981	2.8
148.07576	7.3
150.05450	1.0
150.09166	9.7
152.07072	4.8
158.09540	0.9
160.03973	4.5
160.07637	1.6
164.07065	1.9
166.08649	61.2
166.15260	0.8
167.08972	1.0
168.10210	4.0
172.03993	5.2
174.05516	1.2
174.09096	1.1
180.10097	0.9
190.04970	5.0
197.10742	1.6
199.08687	1.7
199.12253	1.0
202.08652	1.4
204.06599	7.7
209.10751	2.1
210.11380	1.1
211.08572	4.2
211.12280	5.6
212.09351	1.8
212.13036	1.6
213.10228	4.9
213.13788	0.9
220.09735	1.1
220.17290	0.8
222.11485	1.6
223.08658	10.5
223.12306	2.9
224.09349	1.5
224.12883	1.0
225.10225	34.3
225.13844	2.2
226.10979	7.3
227.11798	13.2
228.12543	1.6
229.13387	1.2
235.08742	1.1
235.12344	1.9
236.09319	1.8
236.13058	0.9
237.10257	16.8
237.13882	3.5
238.11003	12.3
238.14606	0.9
239.08228	4.4
239.11794	27.8
239.15376	1.2
240.12544	9.4
241.09692	1.0
241.13335	5.0
243.14891	0.9
244.09599	1.1
245.12677	1.0
248.13264	0.9
249.10191	5.9
250.10876	5.8
251.08162	11.9
251.11784	24.1
252.10307	1.5
252.12596	5.4
253.09712	18.0
253.13361	15.3
254.10506	10.9
255.11235	1.8
255.14949	1.7
262.10925	1.3
263.11816	8.8
264.08932	3.5
264.12616	5.6
265.09723	33.4
265.13324	24.5
266.10483	17.0
266.14038	4.3
267.11255	12.9
267.14825	3.3
268.12000	2.2
269.09274	1.7
269.12845	5.1
270.07108	0.9
270.09964	1.2
271.10745	3.8
271.14258	1.7
273.12399	3.8
275.11798	1.5
277.09705	3.2
277.13034	1.9
278.10550	3.4
279.08334	1.6
279.11285	24.5
279.14334	1.3
280.09357	0.9
280.11929	3.5
281.09656	1.7
281.12839	21.0
281.15817	1.7
282.10355	1.5
282.13495	4.6
283.10770	18.3
283.14383	9.6
284.11551	5.8
285.12329	41.2
286.13162	4.5
287.05460	2.3
287.13873	3.6
289.15710	1.3
291.11310	4.3
292.11917	2.6
293.12811	13.2
294.13651	4.2
295.10794	4.9
295.14389	6.8
296.11584	3.6
297.12357	20.4
298.13092	8.6
299.11020	0.8
299.13901	22.1
300.14450	1.4
301.15408	3.8
303.05054	1.7
307.10788	7.8
308.11270	1.6
309.12338	23.8
310.13153	5.1
311.10565	1.2
311.13885	24.3
312.14587	2.4
313.12097	1.9
313.15466	4.1
316.14447	1.1
318.16159	1.5
319.10712	1.3
320.11456	1.5
321.12430	8.2
323.10190	1.9
323.13745	1.0
324.11111	1.0
325.11856	22.5
325.15280	1.1
326.12518	9.1
327.13394	74.8
328.13782	3.1
330.15875	1.1
337.11841	11.7
338.12631	16.9
339.13397	20.9
340.13968	1.6
341.11322	1.3
341.15024	2.9
343.13254	1.3
344.13748	1.9
345.14392	1.3
346.15433	1.6
346.19217	1.1
355.12885	3.0
356.13724	1.1
357.14481	11.6
358.15186	5.6
359.16068	12.5
360.16803	2.2
369.14487	10.0
370.15079	3.4
371.16092	18.6
372.16843	2.2
374.18713	1.2
376.16455	1.0
386.18768	1.5
387.15704	1.1
390.18103	2.0
391.18939	1.4
392.19778	1.3
393.20288	1.1
400.16299	2.2
404.19662	2.5
414.18420	1.6
416.19577	3.6
418.17386	9.1
420.19363	1.5
422.20905	2.0
430.16998	1.9
432.19250	6.2
434.20761	1.6
436.18378	1.2
442.17618	0.9
444.19568	1.3
446.21463	4.7
447.21558	1.9
448.18207	9.0
449.19122	1.5
450.20239	6.6
451.20999	2.2
454.17105	1.2
460.18631	12.8
462.20325	4.3
464.21960	3.9
465.22586	7.1
466.23434	3.7
472.18781	1.2
473.19421	1.4
474.20294	7.8
478.19446	1.6
480.21271	18.7
489.17941	1.0
490.19727	14.9
491.14041	1.3
491.20523	17.5
492.21301	100.0
493.21292	3.3
500.13382	1.0
506.22781	1.7
509.21597	6.4
522.22290	7.4
523.23132	75.8
524.23907	51.5
525.24164	2.0
569.27527	1.8
585.26886	1.9
587.28247	5.2
595.25360	4.4
613.26563	66.2
614.26709	3.7
627.27325	2.7
635.24768	1.2
636.25256	3.3
645.29205	75.7
646.29559	4.4
652.24463	1.2
653.25812	57.7
654.16571	1.4
654.26563	16.6
655.27216	1.2
673.28088	1.0
685.28430	40.0
686.29065	9.1
739.29059	3.2
757.30225	2.6
775.31903	8.1
807.34088	2.0
815.30640	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	969.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.5
69.03408	0.6
70.06571	0.8
79.05461	1.1
80.04990	0.8
81.03406	0.5
81.05756	0.3
81.07054	0.3
82.06544	0.6
85.02912	1.6
91.05438	1.4
93.05781	0.5
93.07040	2.8
94.06036	0.4
94.06573	5.3
95.04945	0.7
95.07370	2.4
95.08602	0.7
96.04454	0.4
96.08135	6.5
97.02866	0.5
97.06522	0.7
103.05439	0.6
106.06555	0.4
107.07359	0.5
108.04465	1.9
108.07438	0.4
108.08128	6.6
109.08906	0.7
110.09685	11.4
120.08112	7.8
121.06454	0.4
122.05170	0.5
122.06037	9.2
122.09704	0.7
124.07575	0.9
130.94319	0.3
132.04422	0.7
132.33519	0.3
134.06030	2.1
136.07593	5.7
137.08347	0.3
138.09145	16.5
146.06007	0.9
146.09624	0.4
147.06746	0.4
147.82973	0.3
148.07555	3.2
150.05539	0.3
150.09160	3.7
152.07085	2.3
160.02586	0.4
160.03941	8.2
160.07541	0.6
162.05516	0.4
164.07091	3.0
164.59895	0.4
166.08644	23.4
172.03906	1.3
174.09105	0.4
178.05020	1.7
178.08556	0.4
180.10049	0.4
190.04984	0.9
192.06511	0.6
198.11507	0.5
199.08640	1.6
204.06615	1.8
209.10686	0.6
210.11385	0.5
211.08661	2.0
211.12231	1.4
212.09410	1.1
213.10220	2.3
218.08076	0.4
220.09720	0.4
221.10770	0.9
222.11543	0.9
223.08652	3.8
223.12128	1.9
224.09290	0.7
224.13087	0.9
225.10216	13.3
225.13850	1.0
226.10962	4.6
227.11848	3.7
229.31177	0.4
235.08586	1.8
235.12265	0.9
236.09471	1.3
236.12993	0.4
237.10207	4.7
237.13857	2.1
238.10995	4.3
239.08112	4.9
239.11781	14.1
239.15402	0.6
240.12524	3.4
241.09579	0.8
241.13303	1.3
243.14937	0.4
247.12328	0.8
248.09483	1.1
249.10246	5.3
249.12801	0.4
249.13907	0.5
250.10947	6.6
251.08171	3.1
251.11789	15.0
252.09067	1.1
252.12541	4.5
253.09738	4.9
253.13351	9.7
254.10493	12.8
254.13475	0.5
254.14149	0.6
255.11201	1.0
255.14919	0.7
257.12845	0.5
262.11221	0.4
263.08887	0.7
263.11795	9.4
264.09003	1.1
264.12576	7.7
265.09760	5.4
265.13336	21.9
266.10553	3.3
266.13666	2.1
267.11264	6.2
267.14865	1.9
268.11960	0.8
269.09970	0.3
269.12860	1.6
271.10715	1.9
275.11636	0.6
276.10123	0.5
276.12753	0.4
277.09750	1.8
277.13388	0.9
278.10440	2.3
279.08035	0.5
279.11276	9.3
280.11990	1.4
281.09872	0.4
281.12857	11.1
282.10281	0.6
282.13553	2.6
283.10782	6.0
283.14410	4.3
284.11548	1.7
285.12326	11.6
286.13235	1.8
291.11258	3.1
292.11981	1.3
293.09570	0.5
293.12820	7.9
294.10245	0.9
294.13611	3.0
295.10745	2.6
295.14349	2.3
296.11621	3.7
297.12323	6.1
298.13184	2.3
299.13916	13.6
305.09192	0.8
305.12717	0.7
307.10803	1.0
308.11578	1.0
309.12341	60.3
310.12949	4.0
311.13901	24.8
311.17667	0.8
312.14438	1.1
313.11902	0.7
319.10980	1.9
320.11542	1.8
321.12366	5.5
322.13135	0.4
323.10318	0.6
323.13873	0.7
324.11053	1.4
325.11795	3.3
326.12372	1.6
327.13400	79.2
328.13684	2.6
330.16138	0.5
337.11844	11.2
338.12579	8.7
339.13403	15.6
339.17511	0.8
340.14209	0.5
341.14972	3.0
343.12988	0.6
344.13791	1.0
344.17554	0.5
351.13339	0.8
353.14987	1.0
355.12802	0.5
356.13681	0.7
357.14426	3.7
358.15286	2.6
359.16043	7.0
369.14459	25.7
370.15091	3.4
371.16025	35.8
372.16653	1.6
386.18854	1.9
400.16367	0.4
401.17072	0.4
402.18192	0.4
404.19724	1.7
412.16376	0.5
414.18182	1.9
416.19678	11.1
418.17459	0.7
419.18619	0.4
420.19040	0.5
430.17419	2.5
432.19141	6.2
433.19907	0.5
442.17630	2.9
446.20767	0.7
448.18604	12.9
460.18680	45.4
461.18939	1.9
464.21487	0.4
474.20328	2.9
478.19824	0.5
480.21310	41.2
481.21667	1.6
490.19858	1.2
491.20477	0.5
492.21298	100.0
493.21588	4.0
515.20355	0.4
522.22241	1.9
523.23444	2.2
524.24048	2.4
592.23102	0.4
594.24756	0.4
595.25604	4.2
606.24738	0.4
613.26563	60.0
614.26868	2.9
624.25256	1.5
627.27905	2.4
636.25549	1.7
645.29211	23.9
646.29510	1.5
654.26575	2.9
685.28479	0.6
739.29523	0.5
757.30701	0.9
775.31787	1.0
789.33453	0.8
807.34637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05172	1.5
67.05508	23.3
69.03431	1.0
69.07069	7.1
71.05000	1.1
71.16721	2.1
71.17056	1.0
79.05061	1.8
79.05498	25.2
81.03431	1.8
81.07064	36.3
83.04977	1.9
83.08624	2.9
85.02904	1.2
85.06531	1.6
91.05487	23.7
93.07049	25.3
95.04967	3.7
95.08608	20.2
96.90923	0.9
97.06529	3.8
97.10124	1.6
99.04452	1.2
105.07037	20.4
107.04943	3.3
107.08603	12.2
109.06543	8.8
109.10151	6.2
111.08097	1.5
112.22691	1.2
117.07018	6.8
117.20739	0.9
119.08588	16.1
121.06480	1.0
121.10147	8.5
123.08094	1.8
123.11691	2.1
129.06995	1.9
131.08572	10.3
133.10138	11.3
135.07945	0.9
135.11674	5.7
137.09660	1.4
143.08498	1.7
145.10129	8.3
145.58876	0.9
147.11720	4.9
149.09602	1.5
149.13260	2.6
157.10069	1.1
159.11668	4.6
161.13292	2.1
171.11760	1.0
173.13309	3.0
175.14731	1.2
185.13315	1.4
201.16451	1.3
203.14224	1.3
219.17453	47.0
267.46078	0.9
275.20081	18.9
294.40344	0.9
335.25824	47.9
336.26083	1.5
349.23737	17.6
543.40375	1.1
586.01978	1.2
609.45166	100.0
610.45465	4.7
627.45966	1.3
652.70929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99794	0.3
69.03080	0.1
69.03436	2.1
70.06584	0.2
71.01363	0.2
71.04988	0.1
73.02891	0.2
78.04699	0.2
81.03416	0.7
83.05975	0.1
85.02909	1.9
89.03400	0.2
89.03922	2.8
91.05472	0.4
97.02896	3.9
99.04454	0.2
100.11290	0.1
101.02367	0.2
105.03406	0.2
106.04151	0.1
107.04990	0.2
109.02916	0.5
111.00837	0.5
117.03383	9.1
118.03820	0.1
119.04934	0.6
121.02876	1.7
121.06474	0.2
127.03921	0.6
131.03471	0.1
133.02853	0.5
134.03619	0.5
135.04425	0.7
137.02354	0.6
141.07004	0.1
145.02853	27.1
145.53860	0.1
146.03227	0.3
147.04419	2.7
147.40091	0.1
149.05991	3.4
153.01836	2.8
153.02846	0.1
157.06465	0.2
161.05983	0.1
162.03186	0.2
163.03902	0.7
165.01855	1.3
168.09572	0.1
177.05478	54.2
178.05797	0.7
183.02875	0.8
185.06003	0.3
186.05389	0.5
195.06560	1.3
201.05400	0.1
213.05435	0.9
229.04956	0.2
231.06485	0.7
241.04964	0.9
258.05307	0.9
259.06082	0.3
269.04355	0.2
279.08670	0.1
285.03986	0.2
287.05505	100.0
288.05811	2.1
299.05786	0.1
302.04260	0.3
317.06549	3.5
321.09671	1.0
329.06485	0.2
330.26443	0.1
339.10773	9.0
340.11261	0.2
453.34198	0.2
463.08731	27.3
464.08939	0.7
493.09668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.24
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01855	0.1
68.02637	0.1
68.99799	0.3
69.03078	0.1
69.03431	1.6
69.43447	0.5
70.06559	0.1
71.01363	0.2
71.04987	0.1
73.02899	0.2
77.52777	0.1
78.04710	0.2
79.05473	0.1
81.03414	0.7
85.02908	1.4
86.09694	0.1
89.03912	2.7
91.05466	0.2
95.04987	0.2
97.02889	3.4
98.20739	0.1
99.04440	0.2
101.02383	0.2
103.05456	0.2
105.03384	0.3
105.06966	0.1
106.04168	0.1
107.04955	0.3
109.02856	0.4
111.00794	0.5
111.04455	0.1
117.03379	8.5
118.03754	0.1
119.04890	0.1
121.02859	2.0
121.06446	0.1
121.82915	0.1
127.03912	0.6
128.06158	0.1
133.02858	0.3
134.03612	0.5
135.04419	0.7
137.02325	0.5
145.02843	24.6
146.03203	0.3
147.04385	0.7
149.05984	3.3
153.01830	2.4
157.06505	0.3
158.06023	0.1
158.55252	0.1
161.05945	0.1
162.03154	0.2
163.03917	0.5
165.01852	1.3
171.02957	0.1
171.04416	0.2
175.04066	0.1
177.05467	50.1
178.05804	0.7
183.02879	0.8
185.05966	0.4
186.05524	0.5
189.05452	0.1
195.06538	1.1
197.06017	0.2
203.07037	0.1
213.05450	0.9
229.05273	0.1
231.06398	0.5
241.04915	0.9
258.05219	0.9
259.06064	0.4
269.04556	0.2
279.08743	0.1
286.04865	0.1
287.05490	100.0
288.05814	2.6
299.05527	0.2
311.05414	0.1
317.06561	0.1
321.09885	0.4
329.06491	0.5
339.10742	6.9
340.11041	0.2
463.08704	26.9
464.09128	0.8
501.16037	0.1
560.58862	0.1
699.46783	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	959.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	3.6
69.03437	3.2
73.02913	3.2
79.05495	2.1
81.03427	1.2
81.07076	3.4
85.02907	5.3
91.03958	3.6
91.05495	1.5
93.07058	2.7
95.08627	2.4
97.02877	4.9
99.04424	1.1
101.02404	1.3
107.08627	2.6
109.02932	0.8
109.10176	1.1
119.08607	0.9
121.10167	1.2
127.03971	1.4
185.04323	0.9
243.08572	2.0
274.91183	0.8
292.80057	0.9
297.30933	0.7
308.19608	0.7
330.21127	0.8
335.25851	0.9
347.09683	1.3
395.09457	0.8
405.13824	5.1
519.29303	5.9
681.34564	8.6
959.57031	100.0
960.57288	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	956.6309
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	90.2
68.05830	1.2
69.03429	3.6
69.07072	32.0
71.05007	2.7
71.05890	2.0
71.08636	1.8
73.02911	5.0
79.05498	42.2
81.03403	1.9
81.07063	96.6
83.04987	2.9
83.08633	17.1
85.02910	25.0
85.06512	1.9
85.10152	1.3
87.04447	1.3
87.31120	1.3
91.03965	16.7
91.05488	31.3
92.54646	1.2
93.07050	51.4
95.04959	5.4
95.08613	73.9
96.08912	1.3
97.02905	11.3
97.06521	5.6
97.10174	8.3
99.04493	1.7
99.08092	2.6
105.07031	21.2
107.08604	31.0
109.06506	2.9
109.09458	2.2
109.10165	36.5
111.08083	3.0
111.11763	1.4
113.59552	1.4
115.03873	1.4
115.87009	1.2
117.07037	6.1
119.08585	19.7
121.10149	27.1
121.23567	1.1
123.11732	13.8
125.09697	2.1
127.03941	8.5
129.07048	1.9
131.08591	14.9
133.10136	16.8
135.11700	20.3
137.09599	1.5
137.13275	5.0
137.24019	1.1
141.98273	1.3
143.08577	1.3
145.04955	6.8
145.10156	10.8
147.11725	12.9
149.13264	11.4
151.11168	1.7
151.14880	2.4
157.10117	2.0
159.11664	10.1
161.13280	11.0
163.06079	7.5
163.14830	8.7
165.16371	1.2
171.11711	2.0
173.13277	5.7
175.14839	6.0
177.16423	4.0
185.13310	2.3
187.14836	4.1
189.16359	3.0
199.14874	2.0
201.16380	1.6
203.17870	1.9
215.18094	1.8
219.21140	1.5
233.22701	1.7
241.19539	1.8
243.21097	8.0
245.22620	3.9
259.20645	6.5
261.22205	21.0
263.23770	5.1
279.23285	1.3
287.23615	1.6
301.25385	1.5
317.24854	6.0
317.28180	1.4
333.24310	6.4
335.25821	86.2
336.26181	3.4
337.27377	100.0
338.27634	2.2
339.29031	9.5
513.23364	1.2
523.44922	4.7
541.46045	3.0
597.48798	39.0
615.49829	47.4
616.50403	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	949.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.4
69.03439	1.2
69.23139	0.4
69.23566	0.8
70.06596	0.6
71.01365	0.1
72.08139	0.1
73.46529	0.1
78.04724	0.2
79.05503	0.2
79.56885	0.1
81.03429	0.7
85.02430	0.2
85.02914	2.5
86.09714	0.3
87.04436	0.2
89.03922	3.2
91.03886	0.1
91.05473	0.5
93.07043	0.1
93.76473	0.1
97.02898	2.8
99.04482	0.3
105.03391	0.2
106.04177	0.2
107.04964	0.4
109.02892	0.5
111.00824	0.7
113.17614	0.1
115.05508	0.1
117.03391	10.6
121.02881	2.3
121.06504	0.2
124.05170	0.2
127.03925	1.1
130.06560	0.1
133.02885	0.4
134.03651	0.8
135.04430	0.9
136.17134	0.1
137.02341	0.7
137.06000	0.1
140.27798	0.1
145.02856	31.6
146.03175	0.3
147.04427	0.6
148.54095	0.1
149.05989	4.1
153.01849	3.4
153.33186	0.1
157.06546	0.2
161.05888	0.1
162.03166	0.3
163.03848	0.5
163.06006	0.2
165.01855	1.6
171.04448	0.2
177.05482	69.9
178.05849	0.9
183.02881	0.8
185.06012	0.5
186.05510	0.7
189.05519	0.2
195.06535	1.3
197.16878	0.1
203.07028	0.1
213.05447	1.3
216.34480	0.1
229.04889	0.2
231.06458	0.6
241.04977	0.9
258.05334	1.3
259.06046	0.4
269.04626	0.2
286.04736	0.2
287.05515	100.0
288.05838	1.7
299.05530	0.5
300.06656	0.2
321.09937	0.3
327.59433	0.1
329.06604	1.0
339.10818	3.6
359.56430	0.2
383.07779	0.3
593.25073	0.2
625.15619	0.2
934.89008	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	949.6253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.5
69.07077	0.4
69.35994	3.4
70.06596	0.4
71.07383	4.2
71.08631	1.5
81.07030	0.8
83.08608	0.5
83.77803	0.4
85.10191	0.9
86.09712	48.9
94.47714	0.4
95.08622	1.0
97.10175	0.3
98.98465	2.3
104.10751	97.2
107.08632	0.4
109.10161	0.6
125.00014	26.0
137.52257	0.4
143.01047	0.4
163.01567	1.1
184.07356	100.0
185.07657	0.6
258.10962	0.8
299.07211	0.5
313.27463	3.2
338.52075	0.4
478.32974	9.7
496.34006	94.3
497.34399	2.5
722.86475	0.5
785.79474	0.4
930.51276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	57.7
69.03423	2.6
69.06725	1.2
69.07070	14.8
69.81715	0.6
71.04987	1.5
71.06487	1.4
73.02918	4.3
77.03952	0.6
79.05497	38.6
81.03394	1.3
81.07061	57.7
83.04996	1.4
83.08629	7.7
85.02430	1.2
85.02911	16.4
85.06539	1.4
91.03965	11.2
91.05483	25.8
93.07050	45.2
95.04982	3.4
95.08611	45.3
96.04521	0.7
97.02897	9.1
97.06540	2.0
97.09171	0.7
97.10165	3.1
99.04425	0.7
99.08108	1.1
103.03941	0.8
105.07038	17.2
107.08598	24.9
109.06521	1.3
109.10159	22.6
111.08131	1.4
117.06997	7.9
119.08586	17.4
121.09321	1.0
121.10151	18.6
123.08060	0.8
123.11717	8.3
125.09675	0.8
127.03961	3.7
129.06992	2.5
131.07608	0.9
131.08578	14.3
133.10144	14.4
135.11702	14.8
137.13246	2.7
143.08580	2.0
145.04944	4.5
145.10143	9.1
147.11705	11.8
149.09648	1.1
149.13266	8.9
151.11156	0.8
151.14809	0.8
153.12808	0.8
155.08502	0.9
157.10120	2.0
159.11707	9.4
161.13257	8.1
163.06021	6.5
163.11205	1.1
163.14827	4.5
165.16302	0.7
171.11725	2.2
173.13264	7.5
175.14853	3.4
177.12651	0.8
177.16412	1.0
185.13269	2.0
187.14835	3.6
189.16396	1.0
191.14107	0.6
199.14789	1.7
199.61987	0.6
201.16368	2.2
211.14769	1.0
213.16437	1.0
231.21135	0.8
233.19002	0.7
233.22661	0.8
241.19576	4.4
243.21143	6.8
259.20605	7.9
261.22153	18.9
263.23752	2.1
266.28622	0.6
277.21616	1.0
287.23608	0.8
305.24835	0.7
313.25497	0.6
315.23120	1.4
317.24686	3.7
333.24301	8.2
335.25812	100.0
336.26129	2.6
337.27417	13.3
347.25793	0.8
425.33438	0.7
435.95703	0.7
521.43616	2.5
539.44836	1.4
595.47272	16.2
613.48334	21.7
614.48169	0.7
668.51379	0.7
842.40265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.261
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99790	0.3
69.03075	0.2
69.03430	2.5
69.59875	0.8
70.06587	0.4
71.01368	0.2
71.04981	0.3
73.02902	0.3
78.04745	0.1
81.03414	1.1
81.03854	0.2
84.08134	0.1
85.02908	4.0
86.09673	0.1
87.04500	0.2
89.03914	3.8
91.05477	0.4
97.02893	5.5
98.21487	0.1
99.04457	0.4
101.02367	0.2
103.05477	0.2
105.03369	0.3
105.06980	0.1
106.04201	0.2
107.04952	0.3
109.02867	0.7
111.00795	0.5
117.03379	11.7
121.02876	2.5
121.06478	0.2
127.03924	1.2
133.02815	0.5
134.03635	1.0
135.04420	1.2
137.02374	0.7
145.02849	40.0
146.03210	0.4
147.04372	0.6
149.05980	4.6
153.01833	3.2
153.03104	0.1
157.06456	0.2
162.03101	0.2
163.03946	0.8
163.06068	0.2
165.01865	1.5
171.04414	0.3
177.05472	100.0
178.05807	1.2
183.02914	1.0
185.06003	0.5
186.05432	0.9
195.06531	2.0
211.42099	0.1
213.05466	1.1
231.06560	0.7
241.04924	0.8
258.05304	1.0
259.06076	0.4
274.83551	0.1
279.08640	0.2
286.04559	0.1
287.05499	92.2
288.05786	1.5
299.05661	0.7
303.04956	0.1
321.09723	1.0
329.06561	1.4
331.52765	0.2
339.10760	16.7
340.11041	0.3
395.07596	0.1
501.15936	0.2
625.15112	0.1
759.47485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	0.4
69.03431	2.6
70.06582	0.4
71.01353	0.3
71.04974	0.3
72.08131	0.1
78.04693	0.2
78.86900	0.1
79.05499	0.2
81.03427	1.3
84.08134	0.2
85.02424	0.2
85.02908	3.7
86.09718	0.1
87.82185	0.1
89.03915	3.7
91.05480	0.3
93.07025	0.1
95.04950	0.2
97.02894	5.8
99.04461	0.6
101.02348	0.1
103.05447	0.2
105.03377	0.3
106.04177	0.2
107.04978	0.3
109.02880	0.8
111.00801	0.6
111.04418	0.2
117.03384	11.4
121.02861	2.3
121.03705	0.2
121.06480	0.2
127.03918	1.2
133.02831	0.4
134.03633	0.8
135.04437	1.3
137.02383	0.7
137.06076	0.1
145.02849	41.8
146.03181	0.4
147.04416	0.6
149.05992	4.5
153.01836	2.7
153.02994	0.2
157.06493	0.4
158.06006	0.2
161.06029	0.1
162.03178	0.2
163.03955	0.7
163.06049	0.2
165.01834	1.4
171.04468	0.2
177.05473	100.0
178.05815	1.3
183.02856	0.7
185.05933	0.4
186.05501	0.9
189.05495	0.2
195.06529	2.0
197.05969	0.1
200.03255	0.1
213.05437	1.2
213.67590	0.1
231.06569	0.7
241.04971	0.5
245.04373	0.1
258.05249	1.1
259.05994	0.3
269.04507	0.2
279.08652	0.4
287.05502	94.4
288.05786	1.6
299.05591	0.7
303.05063	0.2
311.05713	0.2
321.09744	1.2
328.45554	0.1
329.06549	1.5
339.10760	17.4
340.11081	0.3
383.07800	0.2
413.07938	0.1
501.15860	0.2
599.42456	0.1
625.15173	0.1
664.01550	0.1
936.24799	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	949.246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68080	0.1
68.13969	0.1
68.51672	0.1
68.99799	0.3
69.03430	4.7
71.01357	0.2
71.04977	0.6
71.55140	0.2
73.02924	0.8
81.03421	2.2
83.01297	0.1
85.02906	25.3
86.03248	0.2
87.04468	0.5
91.03967	1.2
97.02894	8.1
99.04456	1.1
103.03954	0.2
107.04948	0.3
109.02884	2.9
111.00811	0.4
115.03900	0.2
121.02879	1.6
127.03920	6.4
133.02876	0.4
135.04440	0.2
136.06175	0.8
137.02335	0.4
141.01718	0.1
145.04965	10.0
147.04411	0.6
148.53970	0.1
153.01825	2.5
157.06558	0.2
161.05954	0.1
163.03920	0.4
163.06027	2.6
165.01833	1.0
171.04462	0.2
175.99529	0.1
177.05533	0.3
183.02927	0.5
185.06018	0.2
203.03592	0.1
213.05516	0.8
229.73329	0.1
231.06517	0.6
241.04895	0.7
258.05240	0.7
259.05981	0.2
287.05499	100.0
288.05850	2.4
298.09671	0.2
303.04938	0.3
325.11365	0.2
329.06500	0.5
353.06308	0.2
463.08722	32.9
464.08923	0.9
505.09897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	0.2
69.03072	0.3
69.03436	5.0
71.00948	0.4
71.04993	0.5
73.02917	1.0
77.45674	0.2
79.64693	0.2
81.03430	2.2
82.35225	0.2
84.91177	0.2
85.02910	26.3
86.03272	0.3
87.04467	0.5
91.03983	1.1
97.02900	7.9
99.04450	1.1
109.02879	2.5
111.00800	0.6
111.04443	0.2
115.03925	0.3
121.02870	1.6
127.03927	7.3
128.04169	0.2
133.02869	0.4
136.06203	1.3
137.02335	0.6
140.60608	0.2
145.04970	10.3
147.04417	0.5
153.01848	2.2
163.03914	0.7
163.06039	2.8
165.01822	1.3
177.05518	0.4
183.02916	0.7
185.06035	0.4
213.05496	0.8
231.06555	0.6
241.04941	0.7
258.05319	0.6
259.05991	0.5
271.08344	0.2
286.04575	0.3
287.05508	100.0
288.05838	2.4
289.09180	0.2
298.09491	0.4
303.04877	0.5
329.06540	0.4
463.08719	33.5
464.09036	0.8
625.13422	0.3
695.86340	0.2
807.39069	0.2
904.55756	0.2
967.90442	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99779	0.2
69.03435	3.1
69.69707	0.4
69.70110	0.4
71.01345	0.1
71.04971	0.4
73.02879	0.6
81.03422	1.6
84.61371	0.1
85.02907	15.0
87.04462	0.3
91.03928	0.6
97.02903	4.6
99.04453	0.7
101.02411	0.2
105.03398	0.2
107.04937	0.3
109.02883	1.9
111.00775	0.5
121.02876	1.7
127.03923	3.9
133.02815	0.2
135.04382	0.1
137.02272	0.4
142.93634	0.1
145.04970	5.6
147.04326	0.4
149.12866	0.1
153.01834	2.0
157.06494	0.2
161.05951	0.2
163.06018	1.5
165.01804	1.1
173.06033	0.1
183.02899	0.7
185.05992	0.3
197.06102	0.2
213.05428	1.1
231.06479	0.4
240.70435	0.1
241.04970	0.8
258.05225	0.6
259.06076	0.5
280.61963	0.1
286.04764	0.2
287.05505	100.0
288.05872	2.3
299.05557	0.2
311.87650	0.1
325.11316	0.2
329.06546	0.5
431.09622	0.2
462.18173	0.1
463.08734	34.2
464.09015	0.9
625.13617	0.2
771.49231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.8
69.03442	3.0
69.07078	0.7
71.01373	0.5
71.05006	0.4
71.08646	0.7
71.16076	0.5
73.02925	3.6
77.10448	0.2
79.05505	0.7
81.03436	1.1
81.07059	2.0
83.08624	0.6
85.02917	4.0
85.10181	0.7
91.03957	2.3
91.05499	0.9
93.07054	1.4
95.08605	2.0
97.02901	5.0
99.04462	0.7
101.02379	1.7
103.97147	0.2
105.07041	0.4
107.08607	0.5
109.02904	0.4
109.10198	0.7
115.04010	0.6
121.10155	0.6
123.11810	0.3
127.03975	1.1
131.08591	0.4
133.18565	0.3
143.33995	0.3
185.04208	1.2
203.05359	0.8
216.17354	0.3
243.08372	2.0
259.08093	0.3
313.27597	0.5
319.90421	0.2
335.25870	0.3
347.09567	1.7
352.16064	0.2
363.08966	0.3
365.10895	0.9
405.13733	5.3
409.24969	0.3
497.30896	2.5
519.29358	4.2
640.06970	0.2
659.35992	3.6
681.34674	5.5
775.53467	0.8
937.58655	100.0
938.58905	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	940.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	100.0
69.03425	4.5
69.07067	27.4
69.22257	24.9
71.04984	3.2
73.02914	6.7
75.38805	3.1
77.03905	3.1
77.83034	2.3
78.55403	3.0
79.05501	82.3
79.05962	4.5
81.07066	95.7
83.08628	13.8
85.02911	28.8
85.06516	3.5
90.98514	2.7
91.03967	19.0
91.05483	46.5
93.07052	71.8
95.04958	6.7
95.08612	79.5
95.09238	3.8
96.04442	2.7
97.02916	12.4
97.06549	4.8
97.10175	7.2
105.07035	37.6
107.08604	51.5
109.10162	38.8
116.06236	2.5
117.07025	12.8
119.08585	37.3
119.09354	3.5
121.10165	31.6
123.11692	14.4
125.09664	3.3
127.03937	7.8
129.07001	3.1
130.07899	2.9
131.08585	19.4
133.10146	28.9
135.11725	23.3
137.13281	3.6
143.08562	4.1
145.04999	11.2
145.10143	24.2
147.11697	19.9
149.13269	20.1
157.10187	3.6
159.11696	15.5
161.13246	9.9
163.06032	10.4
163.14839	5.0
171.11740	5.3
173.13370	13.2
175.14809	4.5
185.13278	3.4
187.14841	5.6
199.14891	3.3
201.16585	3.3
227.18048	3.2
229.19495	7.7
241.19565	3.1
243.21022	6.1
247.20572	13.7
259.20599	8.7
261.22171	14.5
317.24631	3.1
318.03427	2.8
319.22668	6.0
321.24261	85.0
323.25836	12.4
333.24197	7.4
335.25836	73.6
336.26031	3.1
337.27408	6.7
346.77832	3.0
503.37396	2.9
507.42029	8.1
581.45624	28.3
599.46936	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.7
68.99792	0.3
69.03429	1.4
70.06586	0.7
70.81319	0.3
70.81646	0.4
72.08141	0.4
78.42722	0.3
81.03425	0.6
84.08141	1.1
85.02897	1.4
85.94080	0.2
86.09696	0.4
91.05493	4.6
97.02894	3.3
107.04944	0.4
109.02890	0.6
110.07180	0.4
111.00829	0.5
112.86093	0.2
119.04955	13.6
121.02887	1.8
127.03929	0.7
129.10245	1.1
133.02892	0.5
137.02309	0.5
147.04424	65.0
148.04730	0.7
153.01865	2.2
165.01852	1.1
165.05505	1.4
177.05492	0.3
182.13065	0.3
183.02881	0.5
185.06017	0.3
213.05472	1.2
231.06595	0.6
241.04967	0.7
258.05319	0.6
259.05981	0.5
268.17072	0.3
287.05521	100.0
288.05905	2.5
291.08688	0.3
309.09705	4.2
310.54718	0.4
325.03650	0.3
352.32413	0.3
463.08771	27.0
464.08954	0.7
804.13214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2676
Annotation	Kaempferol 3-sophorotrioside-7-glucoside
Peak:m/z	Relative Intensity
68.99823	0.3
69.03436	2.9
69.50877	0.6
71.01371	0.1
71.04995	0.3
73.02923	0.5
75.04456	0.1
81.03426	1.2
85.02912	11.7
87.04493	0.4
91.03973	0.5
97.02901	3.8
98.20788	0.2
99.04475	0.5
103.03961	0.1
107.04986	0.1
109.02889	1.3
111.00813	0.3
115.03935	0.1
121.02879	1.5
127.03928	2.8
133.02849	0.2
134.33675	0.1
137.02339	0.3
145.04979	2.6
145.06169	0.1
147.04401	0.4
148.04802	0.1
153.01833	1.9
157.06519	0.2
163.06068	0.5
165.01857	1.1
169.81825	0.1
171.04431	0.1
183.02907	0.3
185.06013	0.2
189.05539	0.1
197.06215	0.1
203.03339	0.1
203.07159	0.1
213.05499	0.8
231.06549	0.5
241.04977	0.5
258.05316	0.6
259.06085	0.3
269.04529	0.2
287.05521	100.0
288.05869	2.1
299.05551	0.3
311.05792	0.1
329.06558	0.8
353.06631	0.2
431.09467	0.1
449.10840	25.1
450.11227	0.8
451.97263	0.1
491.11838	0.1
502.88867	0.1
611.16113	12.3
612.16742	0.5
727.24390	0.1
806.92731	0.1
829.08722	0.1
857.44171	0.1
867.20294	0.1
872.26257	0.1
920.10284	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	933.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.6
68.99802	0.3
69.03438	1.3
70.06590	0.4
70.80920	0.2
70.81247	0.2
71.01351	0.2
79.55400	0.1
81.03412	0.5
85.02919	1.6
86.09708	0.2
91.05485	5.9
95.04990	0.2
97.02277	0.2
97.02897	3.0
99.04436	0.2
101.02438	0.1
105.03425	0.2
107.04936	0.2
109.02882	0.4
111.00801	0.6
119.04951	15.0
120.05320	0.2
121.02882	2.0
127.03889	0.5
133.02821	0.3
136.07542	0.1
137.02351	0.4
145.06439	0.2
146.92357	0.1
147.04420	66.4
148.04756	0.9
153.01825	2.4
156.68259	0.1
157.06517	0.3
165.01857	1.4
165.05496	1.4
183.02905	0.5
185.06012	0.2
213.05432	1.0
231.06555	0.4
241.04901	0.6
258.05310	0.8
259.06024	0.3
269.04538	0.2
286.04666	0.2
287.05511	100.0
288.05780	2.4
291.08688	0.5
300.45386	0.1
309.09702	3.6
329.06528	0.3
463.08740	30.6
464.08997	1.0
932.58844	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	933.23
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.7
68.99796	0.3
69.03430	2.0
70.06590	0.3
71.01355	0.2
71.50620	0.1
71.55344	0.1
73.02922	0.1
73.05671	0.1
81.03416	0.8
83.04986	0.1
84.08163	0.2
85.02906	2.0
86.09690	0.2
91.05485	5.2
97.02895	4.5
99.04458	0.4
101.02386	0.2
107.04953	0.2
109.02851	0.5
111.00814	0.4
119.04947	14.6
120.08060	0.1
121.02869	1.8
123.04466	0.1
127.03909	0.7
133.02844	0.2
135.04439	0.1
137.02391	0.6
145.04947	0.2
145.06473	0.1
147.04413	76.9
148.04752	0.9
153.00586	0.1
153.01831	2.1
153.02991	0.2
157.06505	0.3
161.05974	0.2
165.01869	1.4
165.05495	2.2
166.44341	0.1
171.04353	0.2
177.05452	0.2
183.02896	0.6
185.05978	0.2
197.06001	0.2
213.05478	1.0
231.06520	0.6
241.04906	0.8
245.04327	0.1
249.07658	0.2
258.05237	0.7
259.05923	0.3
269.04489	0.1
286.04565	0.2
287.05499	100.0
288.05786	2.0
291.08582	0.8
299.05441	0.2
303.04956	0.2
309.09695	9.3
329.06485	0.3
463.08716	30.2
464.09140	0.7
471.14792	0.2
605.73798	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	933.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.7
68.99792	0.3
69.03429	1.4
70.06586	0.7
70.81319	0.3
70.81646	0.4
72.08141	0.4
78.42722	0.3
81.03425	0.6
84.08141	1.1
85.02897	1.4
85.94080	0.2
86.09696	0.4
91.05493	4.6
97.02894	3.3
107.04944	0.4
109.02890	0.6
110.07180	0.4
111.00829	0.5
112.86093	0.2
119.04955	13.6
121.02887	1.8
127.03929	0.7
129.10245	1.1
133.02892	0.5
137.02309	0.5
147.04424	65.0
148.04730	0.7
153.01865	2.2
165.01852	1.1
165.05505	1.4
177.05492	0.3
182.13065	0.3
183.02881	0.5
185.06017	0.3
213.05472	1.2
231.06595	0.6
241.04967	0.7
258.05319	0.6
259.05981	0.5
268.17072	0.3
287.05521	100.0
288.05905	2.5
291.08688	0.3
309.09705	4.2
310.54718	0.4
325.03650	0.3
352.32413	0.3
463.08771	27.0
464.08954	0.7
804.13214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.6
65.04304	0.4
66.24416	0.4
67.05511	30.8
69.03429	2.0
69.06720	0.7
69.07072	9.6
70.68327	0.5
70.68670	0.9
71.04996	0.9
71.08635	15.2
72.09074	0.4
73.02927	3.5
79.05500	17.7
81.03412	0.7
81.07062	34.9
83.04981	0.9
83.08627	8.0
85.02422	0.8
85.02914	13.1
85.06533	1.3
85.10185	9.7
89.06021	1.1
91.03964	7.9
91.04949	0.8
91.05483	8.3
93.07052	21.7
95.04977	1.7
95.08612	34.1
96.04488	0.8
97.02898	7.2
97.06554	1.2
97.10175	4.2
99.04453	0.5
99.08096	0.9
99.11716	0.7
103.07578	1.2
105.04522	0.6
105.07044	7.8
107.07877	0.7
107.08601	13.4
109.06532	0.5
109.10163	15.9
111.08114	0.9
111.11731	0.8
115.03928	0.5
117.07033	3.4
119.08590	6.4
121.10155	12.2
123.11710	6.1
125.09546	0.6
125.13273	0.5
127.03925	4.9
131.08574	6.4
133.10133	6.5
135.11702	7.8
137.13248	2.8
139.11206	0.5
144.06546	0.5
145.04958	4.8
145.10146	5.1
147.11697	4.2
149.13268	6.9
151.11234	0.6
151.14793	0.9
157.10094	0.5
159.11716	5.2
161.13240	3.3
163.06024	6.6
163.14854	4.2
165.12784	0.5
173.13303	4.0
175.14790	1.4
177.16353	1.6
187.14882	2.8
201.16414	0.5
207.51248	0.5
233.22713	1.5
239.23721	3.0
243.21115	10.8
257.24768	1.6
261.22168	38.1
262.22556	0.8
279.23291	0.9
299.23636	0.8
313.27380	100.0
314.27759	2.4
317.24762	6.1
335.25812	83.5
336.26093	2.1
353.27094	0.7
386.06326	0.5
409.40509	0.4
499.44922	0.8
520.71210	0.5
573.48840	41.4
574.48840	2.6
591.49896	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	920.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.7
67.05511	60.8
69.03415	2.1
69.07072	10.8
69.35574	0.9
69.41298	0.8
71.04999	20.6
71.08582	0.9
71.55750	1.1
73.02916	2.0
79.05500	30.9
81.07063	89.9
83.05005	4.9
83.08623	6.3
85.02911	11.6
85.06554	6.8
91.03974	6.6
91.05488	24.4
93.06474	1.8
93.07049	36.3
95.04974	3.2
95.08608	24.4
97.02906	6.0
97.06525	4.9
97.10150	2.3
99.08083	1.0
105.07037	15.5
107.08601	20.9
109.02920	1.0
109.06570	2.0
109.10165	12.1
111.08087	2.9
115.05457	0.9
117.07027	5.4
119.08591	9.4
121.10133	15.8
123.08096	1.5
123.11726	13.2
125.09594	1.4
127.03993	2.0
129.06985	1.0
131.08585	10.5
133.10143	19.3
135.07983	0.8
135.11716	10.5
139.11119	1.1
143.08591	1.3
144.06496	0.8
145.04921	2.9
145.10130	5.2
147.11670	3.5
148.58545	0.8
149.09712	1.2
149.13332	6.6
151.11203	8.1
153.12758	0.9
159.11729	8.4
161.13251	2.8
163.06030	2.4
163.11139	0.9
163.14795	1.0
169.12274	1.5
173.13368	1.8
175.14796	1.4
177.12675	2.2
183.13792	2.3
185.13280	1.8
187.13281	3.7
187.14775	1.4
195.13812	2.6
201.14876	1.6
227.16466	2.5
228.46420	0.9
257.17487	2.9
261.22153	2.6
269.17542	5.3
301.16794	1.6
301.20123	19.7
335.22000	1.5
335.25812	20.8
393.32001	1.0
411.32651	1.9
437.33984	2.2
445.23947	1.3
485.36368	5.0
503.37341	86.0
504.37518	3.9
511.37872	2.6
517.39093	4.1
529.38898	32.8
530.39398	1.9
547.39777	2.1
561.41534	100.0
562.41901	4.4
579.41510	0.8
705.45422	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.6
69.03440	4.1
71.05000	1.2
73.02916	3.4
75.28372	0.5
79.05520	1.8
81.03425	1.3
81.07056	3.5
85.02901	4.7
87.04495	0.6
90.58252	0.5
91.03955	3.7
91.05521	1.7
93.07070	1.5
95.04987	0.7
95.08628	2.1
97.02905	6.0
99.04457	0.9
101.02389	1.4
105.07071	1.4
106.63447	0.6
107.08611	1.6
107.96147	0.6
109.10203	1.0
121.10193	1.6
127.03947	1.6
133.10152	1.3
222.91359	0.7
243.08553	1.8
248.39883	0.7
267.15872	1.8
285.07977	0.6
333.15271	1.1
347.09641	1.6
405.13660	5.7
485.23483	4.0
519.29272	5.7
611.58588	0.8
647.28979	3.2
681.34644	6.8
763.46179	1.5
790.07813	0.7
863.75360	0.6
925.51294	100.0
926.52203	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	920.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50517	0.4
65.03944	1.2
67.05508	51.7
69.03425	2.7
69.06717	0.7
69.07072	8.7
69.33830	3.7
71.05000	14.9
73.02927	2.8
77.03919	0.6
79.05497	29.1
81.03411	1.6
81.07062	74.9
82.07372	0.5
83.04986	4.0
83.08620	6.5
85.02911	8.3
85.06552	6.9
91.03976	5.0
91.05485	24.2
93.07050	33.5
94.07375	0.5
95.04977	2.3
95.08613	23.8
97.02890	4.8
97.06552	3.2
97.10180	1.8
98.20782	1.0
99.04481	0.8
99.08103	0.6
105.07038	12.7
107.04963	0.5
107.08601	17.2
109.06533	1.7
109.10161	10.0
111.08102	1.8
113.09621	0.5
115.05425	0.5
117.07031	4.9
119.08589	7.4
121.10152	13.6
123.06481	0.5
123.08114	0.9
123.11710	11.0
127.03919	1.9
127.07543	0.5
129.07069	0.6
131.08594	6.7
133.10144	15.8
135.11699	7.9
137.13338	0.4
143.08577	0.9
145.04991	1.9
145.10120	4.6
147.11719	2.8
149.13271	5.5
151.11194	5.3
157.10146	1.2
159.11710	5.1
161.13234	2.5
163.06026	2.5
163.14899	1.1
167.14285	0.5
168.89340	0.5
169.12259	1.0
170.95189	0.4
171.11708	0.9
173.13272	2.1
175.14894	1.2
177.12775	1.7
179.14336	0.7
183.13812	2.0
185.13275	0.5
187.13326	3.1
187.14880	1.1
195.13863	1.3
197.13329	0.5
201.14873	0.7
201.16554	0.7
213.14859	0.5
227.16513	1.3
243.15968	1.0
243.21188	0.5
253.17896	0.6
257.17523	1.0
261.19647	0.4
261.22150	2.4
269.17526	5.1
285.17059	0.5
287.23663	0.5
297.53317	0.5
301.20117	9.6
317.24805	0.7
335.25800	22.6
336.26181	0.6
361.27310	0.5
369.24063	0.5
411.32706	1.1
437.34253	1.1
475.34714	0.6
476.37009	0.4
485.36301	1.9
503.37332	74.0
504.37756	2.9
517.38965	2.5
529.38922	15.3
547.39825	1.0
561.41522	100.0
562.41895	5.5
647.40875	1.0
668.44904	0.5
705.46161	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	919.2505
Annotation	Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]
Peak:m/z	Relative Intensity
65.03929	0.9
68.99808	0.4
69.03432	1.4
70.06605	0.6
70.72866	0.2
71.01340	0.1
71.05000	0.1
79.05515	0.1
81.03435	0.8
85.02908	2.7
86.09702	0.1
87.74427	0.1
91.05483	6.0
95.05004	0.2
97.02897	3.8
99.04478	0.4
105.03409	0.3
107.04980	0.4
109.02874	0.7
111.00796	0.8
119.04948	16.8
120.05317	0.2
121.02869	2.2
123.04453	0.1
127.03912	0.8
133.02827	0.5
137.02345	0.8
145.04997	0.7
145.06482	0.2
147.04414	92.0
148.04768	1.1
153.01839	3.1
157.06517	0.2
163.06068	0.1
165.01843	1.6
165.05464	2.0
171.04402	0.3
183.02887	0.7
185.05931	0.6
189.05553	0.1
197.05988	0.2
203.07101	0.2
213.05475	1.2
231.06467	0.8
241.05014	0.9
243.06569	0.1
258.05240	1.0
259.06064	0.4
269.04425	0.3
287.05499	100.0
288.02866	0.2
288.05853	2.2
291.08725	0.4
299.05569	0.4
309.09705	6.2
310.09808	0.2
329.06604	0.9
395.07693	0.3
413.07959	0.1
595.14850	0.2
689.20654	0.1
918.52777	0.2
919.02319	0.1
919.52960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24483	0.2
67.05519	0.7
69.03441	1.1
69.07072	0.8
70.06590	1.7
70.88403	0.5
72.10802	0.2
73.02920	0.6
78.04714	0.4
79.05505	0.8
81.03430	2.7
81.07058	1.2
84.04528	0.2
84.08125	0.5
85.02904	2.4
86.09723	0.5
89.03918	5.7
91.03963	0.8
91.05491	1.1
93.07058	1.0
95.04980	0.5
95.08614	0.8
97.02901	1.3
97.06554	0.3
99.04493	0.4
105.07027	1.1
107.04958	0.4
107.08598	0.9
109.02883	1.1
109.06532	1.6
109.10153	1.1
111.17117	0.2
111.21258	0.2
117.03390	15.3
117.07005	0.4
119.08590	0.6
119.82033	0.2
121.10134	1.1
127.03941	0.8
129.07018	0.7
129.10133	0.2
131.08585	0.7
133.10152	1.5
134.03603	1.1
135.04414	1.1
135.11674	0.4
138.26694	0.2
142.07817	0.6
143.08549	0.8
145.02855	42.6
145.10120	0.8
145.46939	0.2
146.03149	0.4
147.04413	0.4
147.11693	1.9
149.05995	5.3
149.09587	0.2
150.96371	0.2
157.10150	3.1
159.11708	1.9
161.13327	0.4
163.03918	0.6
167.10690	0.7
171.11688	1.0
173.13181	0.5
177.05481	100.0
178.05861	1.4
178.07130	0.2
183.11743	0.5
185.13293	0.3
186.05504	1.5
194.65968	0.2
195.06485	1.3
197.13251	0.8
199.64650	0.2
211.14850	0.5
214.38144	0.2
223.14749	0.3
224.15633	0.3
225.16432	0.3
229.19495	0.5
249.64296	0.2
253.16969	0.4
253.19548	7.5
255.21078	0.3
271.20581	5.3
283.24304	0.3
321.09720	3.7
327.13394	0.2
339.10785	8.0
340.11072	0.3
397.30994	0.9
407.78506	0.3
415.31998	0.9
433.26086	1.5
577.37476	2.0
685.38751	0.7
940.29498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.9
67.05509	6.8
69.03432	23.1
69.07070	33.5
70.06590	2.5
71.01377	1.2
71.04990	2.7
71.07088	0.6
71.29759	1.0
72.08145	0.7
73.02916	6.0
73.06545	4.4
79.05482	6.9
81.03423	11.2
81.07057	14.2
83.01347	1.0
83.04967	1.1
83.08624	1.8
84.08148	1.6
85.02907	95.5
86.03239	1.6
86.09705	0.8
87.04468	2.9
91.03396	1.3
91.03960	21.3
91.04929	1.0
91.05477	8.1
93.07046	9.8
95.04956	2.1
95.08612	9.1
97.02894	40.3
97.06531	7.9
97.10167	0.8
99.04453	5.3
101.02396	0.8
103.03933	1.0
105.07029	18.0
107.04955	1.4
107.08591	9.3
109.02881	9.9
109.06517	17.7
109.10136	6.1
115.03950	2.5
115.07571	19.2
117.05486	0.6
117.07018	5.5
119.08597	9.9
121.10148	9.5
123.11729	1.6
125.09637	1.2
127.03918	28.5
127.11184	2.3
128.04240	0.9
129.06934	1.0
129.10222	0.7
131.08565	7.7
133.10162	8.3
135.11681	4.4
143.08607	2.2
144.09232	0.7
145.04965	30.3
145.09039	1.1
145.10132	15.5
145.12221	1.1
146.05312	1.4
146.10561	0.8
147.11691	26.9
148.11955	0.9
149.09749	0.8
149.13280	3.8
151.14806	0.7
157.10132	4.1
158.10501	1.8
159.11708	17.7
160.12079	0.7
161.13263	47.6
162.13586	0.9
163.06018	20.0
163.11224	1.8
163.14813	1.4
167.10677	12.7
169.12224	0.7
171.11711	2.4
173.13284	10.3
175.14815	2.1
177.16347	0.6
183.11703	1.3
185.13280	2.2
186.14008	0.9
187.14865	2.7
189.16328	1.0
197.13240	0.8
199.14841	3.5
201.16280	0.8
213.16356	1.7
227.17953	1.4
253.19525	10.0
254.19841	6.2
255.21088	100.0
256.21457	2.0
257.22708	2.3
271.20609	3.8
272.20993	2.9
273.22128	64.6
285.25714	4.4
325.11227	1.0
381.31589	3.0
397.31189	0.8
398.31436	1.0
399.25427	0.6
399.27222	0.9
399.32504	10.8
415.31949	0.9
416.32220	1.4
417.26526	1.8
417.33609	21.4
418.34021	0.9
435.27463	11.9
561.37750	0.8
578.37976	0.7
579.38989	5.4
597.32617	24.6
741.44220	27.1
742.43787	1.6
857.07593	0.7
867.47711	1.0
903.49536	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	901.4793
Annotation	Neosibiricoside D
Peak:m/z	Relative Intensity
65.03935	0.5
67.05502	6.6
69.03429	18.2
69.07069	25.0
70.06603	2.1
71.01359	0.6
71.04987	2.2
71.55800	0.3
72.08157	0.5
73.02915	6.0
73.06559	3.7
79.05496	5.3
81.03417	9.6
81.06581	0.5
81.07059	8.9
83.01341	1.0
83.08624	1.1
84.04467	0.4
85.02905	68.5
85.06528	0.5
86.09682	1.1
87.04456	2.2
91.03486	0.2
91.03957	14.3
91.05478	7.1
93.07043	7.8
95.04935	2.1
95.08612	6.2
97.02894	29.0
97.06531	6.4
97.10197	0.5
99.04449	4.2
99.08103	1.2
101.02381	0.6
103.03918	0.8
103.05466	0.4
105.07036	10.4
107.04939	1.0
107.08590	8.9
107.39503	0.4
109.02884	5.5
109.03580	0.5
109.06517	15.9
109.10159	10.3
110.07154	0.4
111.11651	0.4
115.03939	1.7
115.05482	0.6
115.07570	14.4
117.05509	0.6
117.07017	3.4
119.08573	5.6
121.06506	0.8
121.10147	10.9
123.08081	0.5
123.11708	1.9
125.09616	1.0
127.03917	18.7
127.11179	1.8
128.06235	1.4
129.07013	3.9
129.10249	0.9
130.07762	0.5
131.07585	0.5
131.08569	10.2
133.10127	11.4
135.11699	3.6
136.07579	0.5
141.06960	1.7
142.07782	4.8
143.08549	8.0
144.09363	0.5
145.04964	21.4
145.10123	10.0
145.12233	1.3
147.11687	16.1
149.09613	1.1
149.13243	4.9
151.07607	0.4
151.11235	0.6
155.08557	2.3
157.10132	28.2
159.11696	15.2
161.13219	3.3
163.06021	10.9
163.11241	1.0
167.10674	10.0
169.10138	2.4
169.12247	0.6
171.11696	8.1
173.13272	5.4
175.11203	1.3
175.14816	1.0
177.12726	0.5
179.59370	0.3
181.10066	0.7
181.12206	0.4
182.10968	0.5
183.11681	3.5
185.13251	3.4
187.14841	1.4
195.11705	0.6
196.12537	0.6
197.11473	0.5
197.13263	6.2
199.14774	1.8
201.16411	1.1
209.13286	1.1
211.14812	4.2
213.16412	1.3
215.17995	0.5
223.09755	0.4
223.14893	1.0
224.15605	1.1
225.16412	2.5
227.17944	0.5
229.19443	0.8
238.17101	1.9
239.17896	0.6
251.17923	1.3
253.19513	100.0
254.19878	2.1
255.21089	5.3
265.19580	0.4
269.13919	0.9
269.19083	0.7
271.20563	57.0
272.20947	1.3
273.22119	0.4
281.22647	0.8
283.24203	7.3
287.05453	0.8
325.11246	0.5
353.20621	0.4
379.29999	5.9
397.31015	19.9
398.31122	0.5
415.25522	0.9
415.32059	16.8
416.32538	0.6
433.25839	6.9
498.48776	0.4
523.34344	0.5
541.34967	0.6
559.36017	1.0
577.37439	9.3
595.31061	2.3
739.42651	9.7
740.42712	0.5
865.43671	0.6
901.47821	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	901.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.6
67.05503	6.7
69.03429	19.1
69.07069	25.8
70.06593	1.9
70.07425	0.5
70.28204	0.4
71.01359	0.6
71.04994	2.2
71.54842	0.6
72.08156	0.4
72.57661	0.3
73.02919	5.4
73.06562	3.8
77.26418	0.4
79.05493	5.7
81.03418	10.0
81.07053	10.9
83.01356	0.9
83.08616	1.2
84.08176	0.7
85.02905	71.7
86.09702	0.9
87.04481	2.3
91.03953	15.3
91.05478	7.2
93.07043	8.0
95.04974	2.0
95.08607	6.0
97.02895	32.8
97.06536	6.3
97.10180	0.6
99.04462	4.0
99.08093	0.7
101.02386	0.9
103.03928	0.6
105.07026	10.6
107.04982	1.3
107.08592	8.3
109.02879	6.2
109.06522	14.8
109.10155	9.7
113.06007	0.4
115.03917	1.9
115.05508	0.6
115.07569	14.5
117.07008	3.2
119.08585	6.5
121.10146	12.4
123.11705	1.6
125.09645	1.2
127.03916	19.6
127.11185	1.9
128.06213	1.6
129.07010	4.0
129.10268	0.4
131.08565	8.8
133.10136	12.9
134.66374	0.4
135.11700	3.6
137.06017	0.8
141.07005	1.4
142.07768	3.5
143.08557	8.7
144.09358	0.5
145.04962	21.5
145.10126	10.3
145.12256	0.8
147.11691	19.1
149.09677	1.5
149.13266	4.5
151.11183	0.8
155.07430	0.4
155.08559	2.6
157.10133	28.5
158.10519	0.7
159.11693	16.6
161.13263	4.4
161.23390	0.4
163.06018	11.1
163.11159	1.0
165.09113	0.4
167.10689	10.0
169.10136	2.2
169.12263	0.5
171.11691	8.9
173.13263	5.1
175.11192	1.5
175.14845	1.0
179.10666	0.5
181.09976	0.6
181.12347	0.7
182.10957	0.5
183.11716	4.1
185.13266	3.7
187.14825	1.5
189.16443	0.4
196.12468	0.8
197.13268	5.5
198.13995	0.5
199.14799	1.2
201.16344	0.7
209.13295	1.3
211.14813	3.9
212.15602	0.5
213.16386	1.5
214.85765	0.4
215.14392	0.5
215.17984	0.5
223.14836	0.9
224.15620	1.1
225.16356	2.5
229.19467	1.0
238.17140	1.5
239.18120	0.4
249.16237	0.6
251.12766	0.7
251.17946	1.8
253.19513	100.0
254.19873	2.1
255.21104	5.5
269.13889	0.8
269.18994	0.9
271.20563	55.1
272.20871	1.2
281.22531	0.8
283.24213	7.8
325.11331	0.8
361.29184	0.5
372.25912	0.4
379.29941	5.6
397.31009	19.8
398.31284	0.6
414.88831	0.4
415.25375	0.9
415.32065	16.4
416.32513	0.7
433.25925	6.7
523.32935	0.4
541.34875	0.5
559.36182	1.0
577.37335	10.1
578.37878	0.6
595.31354	2.1
739.42651	9.7
865.45209	0.5
901.47919	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	881.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54246	0.5
81.97168	0.3
87.15684	0.3
97.02662	0.3
103.45463	0.3
107.60253	0.3
134.59602	0.4
165.66277	0.4
173.49126	0.3
206.87860	0.3
306.81113	0.4
342.14053	0.3
525.12018	1.1
585.09802	0.4
606.60840	0.5
687.17432	45.9
688.17767	1.6
731.88507	0.4
881.23267	100.0
882.23492	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	888.532
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02664	0.5
63.54384	0.6
65.03945	1.4
67.05510	41.5
69.03427	1.5
69.07073	12.5
71.04993	2.2
73.02914	1.7
77.03912	0.6
79.05498	27.4
81.03422	1.1
81.07062	48.9
82.07411	0.7
83.04992	3.2
83.08632	7.7
85.02911	5.7
85.06542	2.1
85.29600	0.7
91.03960	3.3
91.05484	14.9
93.07050	40.5
94.07401	0.7
95.04979	3.0
95.08614	23.2
97.02878	4.1
97.06548	4.8
97.10183	1.4
98.20762	1.1
99.08089	1.3
105.04500	1.5
105.07037	8.7
107.08600	19.9
109.06515	1.4
109.10172	8.9
111.08084	2.9
113.09668	0.7
117.07034	5.7
119.08613	5.2
119.52732	0.6
121.10150	16.1
123.08043	0.9
123.11722	3.2
127.03895	1.7
131.08582	7.7
133.10153	6.1
135.11696	6.9
145.04947	0.9
145.10161	3.1
147.11723	3.3
149.13275	13.7
157.10159	0.9
159.11700	8.3
161.13297	2.4
163.06071	1.5
163.14838	1.0
166.98866	0.6
173.13275	1.7
175.14821	1.0
177.12769	2.9
179.14262	0.9
185.13373	0.7
185.48901	0.6
187.14861	1.1
195.13792	3.9
243.21141	2.0
261.22150	7.1
263.27463	0.7
267.15936	1.3
269.17496	39.1
270.17834	1.2
317.24838	1.8
335.25836	40.6
336.26224	0.7
418.44058	0.7
418.49545	0.7
437.34052	1.0
455.35532	0.8
511.37317	0.6
529.38922	100.0
530.39331	4.6
547.40021	0.9
640.84167	0.6
803.27100	0.9
888.50244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2082
Annotation	Kaempferol 3-(2''-feruloylglucosyl)-(1->2)-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
61.02919	0.2
63.02391	0.3
65.02938	0.1
65.03934	0.2
68.99809	0.4
69.03436	2.4
70.06579	0.5
71.04971	0.3
71.07731	0.3
78.04727	0.2
79.05479	0.2
81.03426	1.4
84.04527	0.1
84.08137	0.1
85.02905	1.4
86.09719	0.1
87.00832	0.1
89.03922	3.4
90.28136	0.1
91.05484	0.3
93.07021	0.2
95.08546	0.1
97.02896	3.7
99.04449	0.4
103.05470	0.2
105.03391	0.4
105.04514	0.1
106.04163	0.2
107.04959	0.5
109.02894	0.6
110.07254	0.1
111.00812	0.6
117.03384	10.2
119.04928	0.3
121.02866	2.4
121.06464	0.1
124.05126	0.2
127.03900	0.8
133.02841	0.4
134.03648	0.9
135.04434	0.9
137.02335	0.8
141.07011	0.1
144.08897	0.1
145.02849	27.1
146.03192	0.3
147.04404	0.8
149.05989	3.5
153.01825	3.5
157.06496	0.3
158.06053	0.2
161.05852	0.2
162.03099	0.2
163.03897	0.5
165.01843	1.6
177.05473	49.1
178.05890	0.5
183.02916	0.9
185.05952	0.5
186.05493	0.6
189.05489	0.1
195.06528	2.6
197.06041	0.2
205.37868	0.1
213.05507	1.2
229.04994	0.1
231.06676	0.6
241.04924	0.9
258.05225	1.2
259.06036	0.5
269.04379	0.1
269.19040	0.1
287.05499	100.0
288.05795	1.9
299.05588	0.2
299.26154	0.1
321.09717	1.6
365.06570	0.3
425.05530	0.2
425.10837	2.5
801.69263	0.1
845.96967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.9
65.03943	0.5
67.05512	5.0
69.03434	16.4
69.07072	15.2
69.07457	0.7
71.01369	2.2
71.04997	56.7
72.05335	0.3
72.88362	0.3
73.02922	8.5
73.06563	2.3
75.04485	2.6
78.58912	0.3
79.05496	5.5
81.03425	5.1
81.07061	7.6
81.07510	0.5
83.04990	7.8
83.08633	0.6
84.37886	0.3
85.02910	95.2
85.06522	0.6
87.04481	2.6
91.03947	0.7
91.05479	5.8
93.07050	9.7
95.04980	4.5
95.08613	11.4
97.02898	15.7
97.06535	4.4
97.10146	0.3
99.04465	6.8
99.08089	1.1
101.05988	0.5
103.03951	0.8
105.04534	0.3
105.07040	6.8
107.04956	1.3
107.08602	5.6
109.02896	2.8
109.05777	0.7
109.06529	13.2
109.10158	3.0
111.04446	5.3
111.08087	0.4
113.06074	0.5
115.03945	7.3
115.05497	0.7
115.07579	8.8
117.05504	3.2
117.07002	3.3
119.08587	6.8
121.06514	5.6
121.07359	0.5
121.10139	4.8
123.04429	0.5
123.08098	0.9
123.11730	0.7
125.05981	0.6
125.09666	0.7
127.03915	4.6
127.07636	0.3
127.11200	1.6
128.06203	1.9
129.05489	23.1
129.06940	4.5
130.07817	0.9
131.08577	10.0
133.04996	1.1
133.06543	0.3
133.10132	6.7
135.04509	0.4
135.08049	0.8
135.11737	1.7
137.09648	1.4
139.03922	1.9
139.07550	7.3
141.06987	2.2
142.07788	2.3
143.03384	0.3
143.08569	12.1
145.04980	4.6
145.06247	0.4
145.06477	0.4
145.10138	12.0
145.11293	0.7
145.12257	0.8
147.06537	10.0
147.08127	0.7
147.11681	4.3
149.09621	0.8
149.13289	3.2
151.07541	0.7
151.11194	0.4
153.05528	0.4
153.07063	0.5
154.07828	0.6
155.08566	7.0
156.09348	0.6
157.04988	1.0
157.10135	12.7
159.07974	0.4
159.11711	8.0
161.09647	2.2
161.13277	2.8
163.06027	1.9
163.11203	0.9
165.07054	1.2
165.09094	0.4
166.07693	0.6
167.08618	3.1
167.10703	8.6
168.09401	0.9
169.05026	0.5
169.10136	8.2
169.12317	1.1
170.10916	0.4
171.06563	1.7
171.07988	0.6
171.11702	6.2
173.09622	2.7
173.13286	2.0
175.11201	3.9
179.07155	0.5
179.08612	1.3
180.09352	1.6
181.10138	6.6
181.12239	0.7
182.10915	0.7
183.10040	0.4
183.11696	7.7
184.12401	0.5
185.13289	5.9
187.11198	2.2
187.14803	0.8
189.12712	0.8
192.09154	0.4
193.10194	1.0
194.10924	1.0
195.06657	0.4
195.11703	12.7
196.12491	1.1
197.11647	0.5
197.13293	3.9
199.06134	0.4
199.11209	1.1
199.14789	2.8
200.15590	0.4
201.16356	0.7
207.11707	2.3
208.12552	0.7
209.11697	0.4
209.13275	9.6
210.14029	2.6
211.14819	3.3
213.07628	0.4
213.12785	0.6
213.16373	1.8
219.11725	0.7
221.13242	2.5
222.14012	2.7
223.14801	4.7
225.07597	4.2
225.16379	5.3
227.14299	0.9
227.17944	1.5
231.08588	0.4
235.14937	0.9
236.15611	3.1
237.16333	0.4
239.18007	0.9
240.15144	0.5
241.15910	1.3
241.19514	4.2
243.08597	3.0
249.16444	1.5
251.17970	47.5
252.18517	1.3
253.19609	2.2
261.09628	2.0
263.17975	0.5
265.15625	0.3
265.19376	0.4
267.17383	2.9
269.19016	100.0
270.19324	2.3
271.20499	1.4
279.10739	1.6
279.17435	0.6
279.20963	0.5
281.19427	0.6
281.22589	4.0
285.18576	0.8
287.20071	49.8
288.20380	1.3
293.19131	0.5
297.18610	0.7
297.22144	0.3
297.53726	0.4
299.23721	3.1
341.21213	0.4
347.19785	0.5
365.21069	0.8
377.28488	1.9
383.22351	2.0
395.29468	6.9
395.34470	0.6
397.23630	1.1
401.23160	3.6
413.30585	9.6
415.24637	1.4
419.24304	7.4
431.31665	5.4
433.25867	1.2
520.53778	0.4
527.33734	0.5
541.35748	0.5
547.28815	0.5
557.35004	0.4
563.35590	1.9
565.30115	7.5
575.35895	0.6
593.36493	0.4
709.41571	13.2
710.41345	0.8
871.47107	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	860.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57985	0.2
61.02930	7.5
66.91789	0.2
69.03434	14.5
71.01365	0.3
71.04998	2.0
71.12444	0.4
73.02917	3.2
79.60123	0.2
81.03423	6.0
83.01342	0.7
85.02909	100.0
86.03223	0.6
87.04469	2.4
91.03958	5.8
97.02898	24.9
99.04460	3.7
101.02384	0.6
103.03932	0.9
109.02888	7.8
114.69757	0.2
115.03936	0.7
117.03422	0.5
117.05497	0.2
127.03925	26.6
145.02953	1.4
145.04965	53.3
146.05333	0.5
149.06041	0.3
163.06024	32.1
177.05478	3.6
181.07033	0.5
195.06537	0.4
247.08185	0.3
253.06929	0.3
271.08069	1.4
289.09207	3.6
325.11295	17.7
326.11816	0.3
804.34930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	8.2
67.22163	0.5
69.03433	14.8
71.04992	1.7
73.02911	2.4
81.03413	5.2
83.01334	0.7
85.02908	100.0
86.03241	0.8
87.04471	1.7
87.72691	0.5
89.03914	1.5
91.03967	4.6
95.61314	0.7
97.02899	27.8
99.04449	4.4
103.03947	1.1
104.98329	1.1
109.02888	8.5
115.03970	1.2
117.03356	3.6
127.03922	27.5
135.04434	0.8
145.02921	15.7
145.04962	58.0
146.05380	1.4
149.05981	2.1
163.03856	1.8
163.06024	22.4
177.05481	32.9
195.06543	20.9
253.07111	0.7
271.08307	1.5
287.05606	1.0
289.09216	1.9
325.11304	14.8
445.43375	0.7
890.72913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.6
62.34661	0.3
69.03432	14.3
70.06563	0.3
70.52469	0.9
71.04988	2.0
73.02924	3.7
74.81580	0.3
81.02975	0.5
81.03423	5.6
83.01311	0.4
85.02907	100.0
86.03217	0.6
87.04479	2.1
91.03958	6.0
97.02895	26.5
99.04468	4.4
101.02360	0.5
103.03945	0.9
109.02885	9.1
115.03937	1.1
116.84473	0.3
117.03406	0.7
118.23338	0.3
119.81814	0.3
127.03918	30.5
134.20131	0.3
145.02861	2.6
145.04962	61.2
163.06018	33.6
164.06429	0.4
177.04024	0.5
177.05476	6.0
181.07048	0.5
195.06564	1.7
237.70801	0.3
241.07005	0.5
247.08011	0.4
253.07100	0.6
271.08069	2.1
289.09177	4.4
307.10312	0.4
325.11304	24.4
339.10587	0.4
565.10559	0.4
628.54047	0.3
728.29333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	6.9
69.03432	13.5
69.41465	0.9
69.41885	0.7
71.01382	0.3
71.05000	2.0
73.02918	3.3
80.42494	0.2
81.03426	5.6
83.01313	0.5
83.04945	0.3
85.02910	100.0
86.03231	0.7
87.04472	1.7
89.03931	0.7
91.03962	5.7
97.02898	24.8
97.38677	0.2
99.04452	3.9
101.02422	0.4
103.03948	1.0
107.71367	0.2
109.02885	8.4
115.03964	0.9
116.68210	0.2
117.03403	1.5
127.03921	28.2
128.04260	0.3
138.33299	0.2
145.02869	3.5
145.04967	59.5
146.05269	0.7
149.06023	0.6
149.53850	0.2
163.06026	33.4
164.06250	0.2
177.05476	7.7
181.07071	0.4
195.06569	1.5
241.07005	0.5
247.08244	0.2
253.07025	0.5
271.08130	1.8
289.09201	4.6
313.05338	0.2
325.11310	20.3
326.11682	0.4
651.76117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39501	0.2
65.03940	1.0
68.99799	0.6
69.03438	2.0
69.59212	0.5
69.59614	0.5
70.06601	0.8
71.04993	0.2
72.08162	0.2
81.03414	1.6
84.04527	0.3
84.08157	0.4
85.02915	1.0
85.51183	0.1
86.09715	0.3
87.00817	0.2
91.03999	0.2
91.05486	6.9
95.04972	0.3
97.02901	4.2
98.20599	0.2
99.04456	0.3
105.03416	0.3
107.04971	0.2
109.02882	0.7
111.00797	0.6
119.04947	18.3
120.05218	0.2
120.08117	0.2
121.02872	2.6
127.03944	0.9
129.10243	0.2
133.02875	0.5
137.02328	0.9
147.04416	76.2
148.04756	0.9
153.01842	3.6
157.06482	0.3
161.99664	0.2
165.01837	1.6
165.05487	3.4
169.06520	0.2
171.04442	0.2
183.02948	0.8
185.05962	0.5
213.05562	1.1
229.05106	0.2
231.06546	0.5
241.04994	0.8
258.05234	1.1
259.05945	0.3
269.04562	0.2
287.05505	100.0
288.05853	2.3
291.08673	1.7
299.05634	0.2
365.06329	0.3
395.09842	2.0
762.72803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55277	1.3
74.84454	1.4
75.97910	1.2
106.99763	1.1
108.28097	1.2
112.83821	1.3
112.84602	1.4
113.06496	1.2
126.12569	1.5
127.69991	1.2
130.55765	1.2
278.78726	1.3
781.11804	1.5
845.48114	100.0
846.48566	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	846.287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02637	0.6
61.02929	7.9
69.03435	14.6
71.01352	0.6
71.05005	1.8
71.46812	0.4
73.02921	2.7
81.03421	6.8
83.01347	0.8
85.02907	100.0
86.03225	0.8
87.04456	1.9
91.03961	6.4
96.88663	0.3
97.02896	25.7
99.04449	3.6
101.02400	0.3
103.03937	0.9
109.02883	8.5
111.04512	0.4
115.03938	1.1
117.03388	0.4
127.03923	30.4
135.04422	0.7
145.04964	61.4
146.05324	0.5
163.03993	3.9
163.06015	27.6
166.07350	0.3
181.04964	1.6
181.07118	0.3
187.06006	0.3
241.07037	0.4
252.00423	0.3
253.07097	0.9
271.08148	2.3
289.09174	4.5
307.10303	0.6
325.11331	24.9
326.11499	0.6
348.84952	0.3
393.62320	0.3
411.33606	0.3
441.78406	0.4
456.01627	0.3
677.12244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	3.2
61.02935	14.2
65.03947	2.0
67.05510	100.0
69.03416	2.8
69.07081	7.0
70.68149	1.0
71.04989	3.0
71.55637	1.5
73.02911	4.6
78.68649	1.0
79.05498	23.1
80.37313	1.1
81.03409	1.7
81.07063	42.9
82.70316	1.1
83.04993	1.4
83.08635	9.6
85.02912	15.1
85.06526	3.5
91.03973	7.6
91.05490	14.6
93.06473	1.9
93.07050	28.6
95.04984	2.8
95.08046	2.0
95.08614	25.0
97.02888	6.1
97.10178	2.1
105.04417	1.1
105.07038	8.7
107.08609	16.5
109.06528	1.2
109.10165	74.1
111.08081	3.7
117.07022	3.9
119.08595	11.8
121.06541	1.2
121.10168	13.8
123.11676	3.4
127.03915	3.6
131.08568	5.3
133.10132	6.8
135.11691	8.9
135.19788	1.2
137.09560	2.6
145.04965	3.2
145.10184	3.6
146.60342	1.2
147.11691	3.9
149.13309	6.4
155.10667	5.4
157.10088	1.3
159.11707	4.0
161.13246	3.7
163.06026	3.4
163.14879	2.2
164.22580	1.2
173.11792	19.8
173.13286	4.1
177.16457	1.3
187.14833	2.3
227.12875	5.5
227.54268	1.2
229.14372	86.8
230.14694	2.7
243.21120	4.8
261.22174	22.1
317.24722	3.9
335.25824	72.2
336.26230	2.9
376.73032	1.3
397.31070	1.7
415.31931	1.2
471.34467	1.4
473.24902	1.4
489.35779	71.1
490.35791	3.7
507.36710	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	843.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37014	0.2
63.28717	0.2
65.03939	1.1
68.99794	0.6
69.03436	1.5
70.04150	0.8
70.06573	0.4
72.08157	0.3
81.03424	1.1
82.97710	0.2
85.02902	0.7
86.09731	0.2
91.05486	7.8
95.04983	0.2
97.02895	2.8
98.20706	0.2
99.04459	0.4
105.03387	0.2
107.04962	0.4
109.02878	0.3
111.00781	0.8
119.04949	17.5
119.11724	0.2
121.02865	2.7
121.71065	0.1
123.04445	0.2
127.03913	0.7
131.04973	0.2
133.02872	0.3
137.02359	0.6
145.06514	0.3
147.04417	69.0
148.04759	0.8
151.32611	0.2
153.01836	3.1
153.02997	0.3
157.06522	0.2
161.06007	0.2
165.01849	1.6
165.05479	3.0
171.04471	0.3
177.05402	0.2
183.02928	1.0
185.05988	0.4
189.05411	0.2
213.05463	1.5
231.06577	0.5
241.04958	0.7
245.04498	0.2
258.05273	1.0
259.06046	0.4
266.41589	0.2
269.04382	0.3
287.05508	100.0
288.05823	2.1
289.26733	0.2
291.08600	1.0
299.05524	0.4
365.06650	0.2
395.09680	0.7
413.93417	0.2
417.93719	0.2
856.63275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.4
67.05510	100.0
69.03419	4.3
69.06750	2.8
69.07073	19.1
69.85805	3.0
71.05003	3.4
71.56497	3.7
73.29057	3.5
79.05497	54.1
81.03411	4.6
81.07063	80.4
83.04953	6.6
83.08614	13.9
83.94218	3.1
85.06512	4.4
91.05481	35.3
93.07050	53.8
95.04974	6.2
95.08616	40.4
97.06533	6.7
97.10181	7.3
99.08143	3.4
105.07042	23.3
107.04934	3.3
107.08598	33.6
109.06543	5.2
109.10160	49.7
111.08105	7.2
117.07050	11.5
119.08604	23.8
121.06574	5.7
121.10126	21.8
123.11722	8.6
125.09647	7.7
131.08580	13.5
131.57779	2.8
133.10150	20.1
135.08099	3.9
135.11703	11.0
140.01187	3.0
145.10112	14.2
147.11685	14.4
149.09607	5.1
149.13211	7.4
157.10197	3.7
159.11694	11.1
161.13252	6.4
172.68623	2.8
173.11794	6.6
173.13229	7.0
185.13275	2.9
227.12801	7.3
229.14420	36.9
238.82260	3.2
261.22186	9.0
269.17337	14.9
275.20114	21.3
293.21017	3.9
335.25812	78.9
349.23679	18.8
367.24796	15.1
489.35800	18.1
502.47131	3.7
529.38788	24.7
569.41833	7.6
609.45081	23.6
627.46124	13.7
842.48572	4.1
843.48505	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	830.293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04531	0.4
61.02930	7.8
64.18692	0.2
69.03432	14.4
70.06592	0.4
71.01363	0.3
71.04993	1.7
73.02920	3.3
81.03422	5.7
83.01331	0.4
85.02910	100.0
86.03246	0.7
87.04475	2.1
91.03960	5.5
91.05475	0.5
97.02899	25.1
99.04460	4.2
101.02402	0.5
103.03974	0.6
109.02887	8.3
115.03925	1.1
117.05497	0.4
119.04951	1.5
125.02382	0.4
127.03925	28.2
128.04318	0.4
129.10265	0.3
137.49818	0.3
145.04968	58.1
146.05299	0.8
147.04417	6.1
155.81224	0.2
163.06026	26.4
164.06372	0.4
165.05533	1.7
169.55049	0.3
181.07068	0.4
204.08578	0.3
241.07216	0.4
247.08055	0.3
253.07109	0.6
271.08133	1.2
289.09152	4.0
325.11316	22.5
326.11578	0.6
340.25281	0.3
395.76971	0.3
457.64459	0.3
547.88251	0.3
556.29602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	63.2
59.06124	8.6
59.65224	3.2
67.05514	22.9
69.07070	5.5
70.06609	4.9
79.05496	24.2
81.03442	3.8
81.07064	21.2
82.06599	7.3
84.08158	9.7
85.02910	5.4
91.05484	17.4
93.07042	17.6
94.06583	12.7
95.08617	15.1
97.02907	5.2
98.21501	11.6
100.81030	3.2
105.07064	6.5
107.08603	16.3
109.10166	5.4
112.07603	4.8
118.98778	3.4
119.08620	10.1
121.10158	5.9
131.08586	5.7
133.10127	5.7
135.11736	4.6
137.05957	3.7
145.10150	4.9
171.31715	3.4
213.73180	3.7
220.16937	4.0
318.24319	7.8
335.25894	10.8
481.17700	3.8
589.87933	4.4
601.44659	3.9
652.49103	5.3
670.50452	100.0
671.50684	8.3
832.55054	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	41.9
67.05511	73.6
69.03412	8.8
69.07061	19.3
70.06594	49.9
71.55393	6.1
72.08163	7.0
73.02922	22.9
79.05505	47.9
81.03432	7.7
81.07057	80.9
83.04983	9.4
83.08615	10.3
85.02913	53.7
86.09721	11.9
88.67167	5.9
89.93689	5.0
90.70598	5.7
91.03971	42.2
91.05486	19.7
93.07059	56.6
95.04947	6.8
95.08609	68.6
97.02892	30.9
105.07012	26.7
107.08593	44.6
109.10159	48.2
117.07008	9.6
119.08566	11.5
121.10162	39.3
123.11694	22.9
127.03903	16.1
131.08568	24.8
133.10130	24.8
135.11679	28.2
136.40956	6.2
137.13237	9.6
145.04977	20.2
145.10144	15.3
146.08104	6.7
147.11673	11.4
149.13275	22.5
151.14807	7.9
159.11673	16.0
161.13252	13.5
163.06052	40.7
163.14799	10.2
173.13275	19.3
178.73167	5.1
181.09625	9.8
187.14767	12.3
243.21022	30.3
245.33484	6.1
261.22180	100.0
266.30145	6.3
315.92212	5.4
316.81332	6.1
324.45694	6.6
335.25766	43.2
353.26898	54.9
497.30823	8.0
497.73828	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	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50647	0.9
61.02925	4.3
64.38136	0.8
67.05518	4.2
69.03435	2.4
69.07071	1.5
70.56884	0.9
70.96266	1.2
70.96604	1.9
71.04984	0.9
73.02925	1.9
79.05518	5.1
81.07089	4.2
85.02921	3.4
91.03974	2.0
91.05463	5.1
93.07051	5.7
95.04940	0.9
95.08631	3.0
97.02910	3.4
97.06567	1.0
101.02393	1.8
105.07069	3.7
107.08640	2.9
119.08638	2.6
121.60877	1.0
131.08607	1.2
133.10170	3.1
134.11859	0.9
135.11734	1.1
145.10196	1.7
147.11783	1.4
173.13283	1.0
185.04266	1.6
185.36647	1.0
198.74370	1.0
243.08553	3.4
301.09030	1.6
465.21204	1.5
525.23279	1.4
535.28876	14.0
607.31073	1.3
829.50720	100.0
830.51196	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	830.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.6
69.03432	14.6
70.06588	0.2
71.01363	0.3
71.04995	2.1
71.54887	0.2
73.02914	2.9
81.02976	0.4
81.03419	5.4
83.01340	0.5
85.02906	100.0
86.03240	0.9
87.04478	2.2
91.03954	5.6
91.05476	0.5
97.02894	26.7
99.04459	3.4
101.02392	0.7
103.03936	0.7
108.24134	0.2
109.02882	8.2
115.03931	1.2
119.04203	0.2
119.04935	1.3
123.04431	0.4
127.03919	29.1
145.04961	63.4
146.05316	0.8
147.04413	7.7
155.64465	0.2
163.06018	28.3
164.06390	0.4
165.05476	1.4
181.07115	0.5
204.08693	0.5
218.19398	0.2
231.72905	0.3
241.06960	0.3
253.07024	0.3
271.08121	1.7
289.09186	4.5
307.10382	0.5
309.09555	0.5
325.11292	21.5
326.11548	0.7
458.14841	0.3
863.80066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05023	0.3
61.02931	7.1
69.03437	15.0
70.06557	0.2
71.01350	0.3
71.04997	2.2
71.46325	0.3
73.02918	3.3
81.03427	5.6
83.01334	0.7
85.02913	100.0
86.03259	0.6
87.04475	2.1
91.03967	5.9
97.02901	25.2
99.04467	3.8
101.02396	0.3
103.03946	0.9
109.02886	7.6
110.03236	0.2
115.03959	1.0
117.05512	0.2
119.04954	0.7
127.03928	28.6
128.04219	0.3
142.55307	0.2
142.79948	0.2
145.04971	56.8
146.05313	0.7
147.04431	3.0
163.06030	24.4
164.06448	0.2
165.05461	0.7
181.07072	0.3
193.63087	0.2
204.08667	0.5
253.07072	0.4
271.08072	1.6
287.05655	0.3
289.09225	3.8
302.14124	0.2
309.09705	0.2
325.11322	17.7
326.11539	0.3
339.16998	0.2
483.28561	0.2
569.20465	0.2
582.33563	0.2
668.19415	0.2
790.00549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.7
61.47997	0.7
67.05504	7.3
69.03431	4.1
69.07061	2.4
71.01360	0.7
73.02924	3.5
79.05496	5.3
81.03422	2.2
81.07063	6.7
83.04985	1.8
83.08627	1.1
85.02909	4.5
91.03957	3.1
91.05495	4.1
93.07062	5.8
95.04965	1.2
95.08614	5.1
97.02894	6.1
97.06548	0.7
98.20841	3.1
98.21520	1.1
101.02386	1.8
105.07053	3.5
107.08615	2.9
109.10184	2.8
109.97066	0.6
117.07075	1.0
118.10634	0.7
119.08620	1.0
121.10162	2.0
127.03993	1.4
132.95949	0.8
133.10185	1.7
135.08090	0.8
135.11731	1.6
145.10075	0.7
147.11656	0.8
159.11707	0.9
185.04144	0.8
195.54533	0.7
200.93741	0.6
225.80435	0.7
243.08485	1.9
317.11340	0.7
331.18893	2.8
335.25858	1.3
466.45026	0.7
519.29291	5.8
526.53925	0.7
530.39203	1.7
549.26617	3.4
648.17725	0.7
662.91156	0.7
827.49176	100.0
828.49207	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	829.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80471	1.4
66.95200	1.6
71.55820	1.9
78.31754	1.5
79.05515	1.7
81.07050	2.0
91.05508	1.7
93.07030	1.8
95.08616	1.7
121.42950	1.7
289.44235	1.6
309.47733	1.6
519.29053	1.9
748.58276	1.9
829.48883	100.0
830.49329	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02644	0.5
61.02932	6.2
62.73872	0.4
65.03974	0.4
67.05511	6.0
69.03439	3.8
69.07069	1.4
69.25476	3.4
71.01357	0.6
71.04995	0.8
73.02921	4.4
79.05495	4.6
81.03417	2.7
81.07065	5.9
83.04999	0.6
83.08638	0.5
85.02913	6.2
87.04536	0.4
91.03963	3.0
91.05481	3.3
93.07054	4.5
95.04980	0.9
95.08617	3.7
97.02892	5.3
97.06561	0.6
99.04491	1.1
101.02399	1.4
105.07026	2.3
107.08618	2.0
109.02895	1.0
109.06552	0.7
109.10153	1.7
115.03957	0.4
117.07008	0.7
119.08587	2.0
121.10152	2.0
127.03929	1.4
129.06961	0.5
131.08607	0.7
133.10150	1.0
135.08086	0.3
135.11720	1.1
143.92738	0.4
145.10191	0.7
159.05022	0.4
160.24048	0.4
173.13313	0.5
185.04352	0.5
203.05368	0.4
203.14233	0.4
243.08574	2.4
311.72549	0.4
333.20343	2.9
335.25775	0.6
389.22986	0.6
453.21085	0.4
519.29364	6.3
519.36182	0.6
520.30072	0.5
523.44244	0.4
551.28271	4.0
731.43683	0.5
829.50720	100.0
830.51044	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	827.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35254	0.4
61.02936	4.8
67.05514	6.5
69.03429	3.9
69.03696	0.3
69.07081	2.2
69.71959	2.3
71.01379	0.4
71.05017	0.7
73.02928	4.2
79.05502	4.3
81.03436	1.5
81.07071	6.0
83.08645	0.9
85.02914	5.4
87.04481	0.5
91.03968	2.7
91.05490	2.5
93.07061	3.4
95.05008	1.3
95.08630	3.6
97.02901	5.3
97.10199	0.7
98.20773	0.6
99.04467	1.0
101.02386	2.1
105.07060	1.3
107.08609	2.4
109.02901	0.8
109.10174	1.5
115.03950	0.5
117.07104	0.6
119.08630	1.3
121.10186	1.2
123.11700	0.6
125.09657	0.5
127.03944	1.3
131.08618	0.7
133.10193	0.6
135.11768	0.6
145.10118	0.4
147.11819	0.4
149.13383	0.4
159.11688	0.5
185.04346	0.8
205.55777	0.4
208.12817	0.4
223.13414	0.6
243.08394	2.3
255.65851	0.5
264.12946	0.5
269.95712	0.5
291.19568	0.8
331.18842	2.3
343.06113	0.4
519.29279	8.1
549.26825	2.0
601.71570	0.5
827.49207	100.0
828.49084	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.3
65.03945	6.8
65.53662	1.3
67.05510	97.4
67.69191	1.4
69.03419	8.7
69.07073	30.3
69.34681	12.7
71.01357	2.2
71.04987	4.9
73.02914	1.5
76.70286	1.2
79.05499	85.0
81.03439	11.4
81.07061	97.5
83.04992	11.2
83.08626	15.9
85.02922	7.7
85.06527	5.2
91.03994	2.0
91.05489	62.1
92.05822	1.6
93.07050	83.5
95.04963	12.8
95.08613	65.9
97.02895	4.1
97.06528	12.7
97.10177	5.6
99.08106	4.7
103.05448	2.3
105.07037	44.9
107.04968	5.8
107.07870	2.5
107.08601	45.4
109.02930	1.7
109.06519	7.8
109.10160	28.8
109.10907	1.4
111.04485	1.4
111.08104	4.7
113.09714	2.1
115.05425	1.9
117.07017	21.2
119.08588	31.3
121.06516	3.2
121.10150	34.5
123.08060	5.0
123.11734	7.5
125.09642	3.0
125.12644	1.6
127.03925	2.0
128.06267	3.0
129.05536	1.5
129.07005	7.5
130.07741	1.9
131.08583	30.9
133.06476	2.8
133.10136	27.7
135.08057	3.3
135.11694	22.9
137.09619	3.7
139.11177	1.6
141.06998	2.9
143.08554	6.5
145.06471	1.6
145.10152	21.3
147.11708	14.4
149.09621	9.8
149.13268	13.9
151.11194	2.2
155.08560	3.9
157.10143	8.4
159.11710	19.0
161.13257	7.6
163.11180	4.9
163.14883	2.3
164.16794	1.3
165.12785	1.5
167.08630	2.2
169.10121	3.7
171.11635	6.4
173.04475	2.3
173.11908	1.7
173.13239	8.3
175.11031	1.2
175.14891	1.9
177.12772	5.1
181.12221	1.6
183.11729	2.4
185.13309	4.9
187.14825	3.2
195.13806	6.0
197.13275	2.7
199.14883	4.6
201.16307	2.4
217.15938	1.8
219.17505	1.8
227.12730	2.1
229.14453	2.1
229.19563	1.4
235.16959	2.4
239.18005	3.3
243.21117	4.0
255.15834	10.2
257.18991	7.6
259.20636	3.8
261.22195	14.4
267.15869	2.7
269.17480	28.6
275.20090	24.9
291.19681	2.8
293.21216	1.9
309.20529	7.3
317.24625	2.3
333.24445	2.8
335.25812	100.0
336.26395	3.3
349.23749	24.3
367.25040	4.0
371.17896	1.9
413.21594	1.6
437.34128	2.2
515.37262	12.9
529.38885	58.4
530.39063	2.9
569.42072	22.5
609.45142	25.4
610.45416	2.2
627.46185	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.7
65.03934	8.2
65.81230	1.6
67.05508	97.2
67.78008	1.7
68.05833	1.7
69.03417	6.2
69.06727	2.0
69.07070	32.9
71.04980	5.7
77.03900	2.1
79.05497	78.1
81.03420	10.3
81.07060	100.0
83.04984	8.8
83.08627	18.3
85.02891	6.5
85.06518	5.2
91.03952	2.0
91.05480	63.8
93.07047	82.7
95.04981	15.1
95.08611	56.8
97.02892	6.6
97.06537	12.6
97.10170	12.0
99.04467	2.4
99.08095	4.4
105.07037	57.8
107.04953	5.8
107.08593	49.3
109.02893	3.5
109.06508	10.0
109.10160	23.8
111.08045	5.7
113.06021	2.3
116.06256	2.3
117.07037	22.8
119.08591	43.9
121.06485	4.4
121.10148	34.2
123.08053	5.9
123.11694	7.9
125.09646	8.4
127.03928	3.5
128.06218	4.5
129.07025	11.0
130.07809	2.2
131.08575	31.5
133.09225	3.2
133.10144	31.7
135.08070	5.2
135.11708	22.9
137.09618	3.1
137.13292	2.3
141.07018	2.8
143.08546	10.0
145.06493	2.1
145.10130	28.3
147.11691	19.6
149.09636	9.8
149.13275	10.7
151.11201	1.9
153.09113	2.2
155.08554	4.5
157.10162	9.0
159.11700	22.3
161.09772	1.8
161.13249	7.9
163.11166	8.1
163.14861	2.1
163.28262	2.3
165.12735	2.3
169.10150	4.5
171.11694	8.4
173.11852	2.4
173.13237	9.0
174.63853	1.7
175.14825	3.6
177.12683	5.1
178.87206	1.8
179.14342	2.1
181.12181	3.2
183.11734	4.5
185.13254	10.9
187.14828	4.0
189.11151	3.3
191.14323	3.2
195.13821	2.8
197.13261	3.3
199.14857	3.1
201.16362	3.2
219.17409	5.3
227.12750	10.6
229.14384	5.1
229.19362	3.0
233.15279	2.5
239.17973	6.5
243.20976	2.2
255.15877	4.4
257.19037	15.5
259.20560	4.7
261.22165	11.8
267.15787	4.3
269.17493	14.7
270.29974	1.9
275.17270	3.5
275.20087	52.2
293.21042	2.7
303.15802	2.5
309.20648	5.3
331.22736	3.5
335.25797	70.5
336.26160	4.4
349.23740	50.3
367.24786	3.5
367.30045	2.1
406.05539	2.0
419.23993	2.4
489.35770	4.3
505.34836	3.0
529.38800	6.7
555.39636	2.2
569.41711	5.6
609.45160	46.6
610.45422	2.6
627.46014	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	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.8
57.07063	4.4
59.65258	2.0
65.03947	6.8
67.05508	100.0
69.03449	5.5
69.07068	24.9
70.05688	10.3
71.04996	6.5
79.05499	72.6
81.03410	8.5
81.07061	94.0
83.04987	31.2
83.08638	10.9
85.02898	2.5
85.06528	5.3
85.27393	2.1
89.06042	3.1
91.05486	68.1
93.06468	4.7
93.07052	76.6
95.04971	15.6
95.08053	4.3
95.08614	60.2
97.02876	2.4
97.06541	7.1
97.10162	4.1
98.20802	2.9
101.06023	2.5
103.05400	2.5
105.04526	3.5
105.07040	56.9
107.04942	8.9
107.08598	54.6
109.06517	10.9
109.09457	3.9
109.10163	59.6
111.04434	3.3
111.08084	6.5
117.07032	18.4
119.08579	28.6
119.44080	1.8
121.06516	8.1
121.10164	25.7
123.08059	9.6
123.11697	11.6
125.09631	5.0
127.58353	2.2
128.06174	2.4
129.06995	8.3
131.08583	21.9
133.06499	6.7
133.10136	78.2
135.08069	11.8
135.11710	15.4
137.09578	4.1
141.07054	2.2
143.08574	8.5
145.10136	16.2
147.08049	6.7
147.11722	11.1
149.09637	6.8
149.13284	5.5
151.11188	32.0
157.10114	6.3
159.08009	3.6
159.11650	11.0
161.09630	8.4
161.13268	6.7
163.11169	4.4
169.10011	3.1
169.12218	6.1
171.11713	6.7
173.13261	5.1
175.11191	4.8
175.14854	4.2
177.09113	4.1
179.10669	2.9
185.13307	2.3
187.14825	2.3
189.12810	3.0
215.12791	5.2
227.17885	5.3
243.21065	2.7
245.18979	6.8
251.12912	4.7
253.14366	74.3
254.14586	2.2
255.17540	3.5
259.20526	3.1
261.22183	13.3
263.20117	4.2
273.18481	39.8
291.19562	34.6
309.20532	5.0
335.25812	93.2
347.22083	12.7
365.23230	55.8
480.67746	2.2
513.35754	5.1
529.35187	3.0
531.36774	11.1
543.40167	2.6
607.43591	8.9
625.44672	85.5
626.44995	4.3
822.43268	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	823.339
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66443	2.7
65.03947	3.8
67.05508	4.8
69.07058	4.5
70.06599	24.0
71.00353	7.6
72.08157	8.3
79.13113	2.6
81.03415	8.5
84.04520	6.3
84.08159	7.1
85.02879	6.1
86.09695	15.9
89.58437	3.0
91.05480	6.9
93.05782	3.6
93.07056	4.6
94.06573	14.1
96.08136	11.1
97.02898	4.5
108.08108	22.9
109.02905	6.0
110.06100	3.5
110.09653	14.3
120.08104	27.8
121.06547	3.2
122.06020	8.8
122.09654	9.2
136.07584	51.7
138.09143	100.0
141.66827	3.0
150.09116	6.3
152.10721	7.0
164.07068	11.8
197.10703	5.7
209.08170	5.6
210.11617	3.6
211.08711	6.3
211.12363	4.5
212.09415	4.5
213.10216	5.5
220.64041	3.4
224.09502	3.6
225.10135	15.6
227.11853	6.6
239.11847	15.1
241.09854	4.1
241.13341	5.5
253.09756	9.7
253.13339	4.8
255.11250	9.4
256.12125	4.4
267.11334	19.1
269.09857	3.0
269.12750	15.7
270.13669	7.7
271.14380	9.2
273.16092	7.4
279.55557	3.2
281.09418	4.1
283.10773	5.4
283.14340	8.9
287.13718	4.7
295.10776	12.0
297.12296	5.6
301.11996	5.6
301.15463	68.9
313.11761	15.9
323.10330	3.7
341.11224	8.2
343.13208	3.6
355.12903	7.2
373.13989	10.6
385.13620	3.8
439.14966	7.1
457.16165	9.5
467.14371	3.7
485.15497	8.6
487.17096	4.0
499.17105	4.2
506.51810	3.5
517.17871	17.8
540.23328	3.4
579.62244	3.2
680.55548	3.6
755.28314	6.2
773.30267	37.4
787.30969	12.0
805.32794	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	11.5
57.07071	3.7
59.83388	2.5
61.02929	4.5
65.03935	4.0
67.05511	93.0
67.05872	4.5
69.03421	5.0
69.07075	28.2
69.28388	9.4
69.28813	18.0
71.04991	4.9
78.97137	2.7
79.05499	61.0
81.03429	8.1
81.07060	95.1
82.54005	2.9
83.04997	22.7
83.08617	11.3
85.06529	5.8
91.04966	5.1
91.05486	67.7
93.07050	74.5
95.04984	14.0
95.08614	47.3
96.55410	2.5
97.06557	6.5
105.07033	61.6
107.04951	5.1
107.08601	53.7
109.06516	10.9
109.10161	68.0
117.07030	13.7
119.08599	25.3
121.06517	8.0
121.10155	23.7
123.08118	3.2
123.11706	14.0
127.07497	3.2
127.43428	2.7
129.07021	4.7
131.08540	18.9
133.06502	6.0
133.10136	65.4
133.11084	4.8
135.08070	5.9
135.11711	13.5
137.09599	3.7
141.07101	3.4
143.08571	4.2
145.10167	16.0
147.11722	12.4
149.09616	6.3
149.13292	4.2
151.11186	27.4
157.10136	6.7
159.11674	9.4
161.09628	7.0
161.13272	6.6
169.12299	6.0
171.11794	4.2
173.13290	3.3
179.10593	2.7
185.13364	3.6
189.12816	3.5
215.12756	3.5
241.19385	2.9
243.21046	4.0
245.19040	5.2
253.14381	90.7
259.20599	8.3
261.22208	8.9
263.20200	4.0
271.15314	3.0
273.18506	21.7
275.20416	3.3
291.19565	22.8
333.24274	5.6
335.25818	100.0
347.22003	9.1
365.23160	32.9
513.35187	4.9
531.36902	30.4
607.43524	8.1
611.46655	4.5
625.44672	62.9
783.47803	3.2
851.41980	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	822.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	9.3
57.07063	1.6
58.07172	0.8
59.05020	1.4
61.02937	1.2
65.03924	3.2
67.05508	58.6
69.03433	7.5
69.07072	30.4
70.21170	2.3
71.04985	1.5
77.03877	1.1
79.05496	43.0
81.03423	5.0
81.07061	50.8
83.04978	4.9
83.08625	12.7
84.43274	0.9
85.02912	1.5
85.06547	2.7
91.05487	26.8
93.07049	39.9
95.04974	8.8
95.08611	36.3
97.02914	10.5
97.06540	4.5
97.10167	12.7
103.05560	0.8
105.04524	0.9
105.07036	20.0
107.04324	1.2
107.04951	6.9
107.08598	24.2
109.02959	1.3
109.06516	3.8
109.10152	16.2
111.08092	1.9
115.05449	0.9
117.07029	10.5
119.04989	1.1
119.08595	17.5
121.06499	3.0
121.10154	16.1
123.08076	3.4
123.11687	3.3
123.15372	1.0
125.09636	8.9
128.06216	1.3
129.06999	3.9
131.07678	1.6
131.08566	12.5
133.06479	3.4
133.10126	8.0
135.08052	3.2
135.11700	8.5
137.09604	2.2
141.06956	1.4
143.08560	3.7
145.10135	10.2
147.08060	4.9
147.11684	5.3
149.09566	2.7
149.13280	5.0
155.81158	1.1
157.10107	2.7
159.08096	1.4
159.11682	5.7
161.09645	2.8
161.13264	3.6
161.23988	0.8
163.11172	2.5
163.14790	1.4
165.09084	1.5
171.11690	1.4
173.13261	3.4
175.11150	2.5
175.14914	1.4
177.12674	1.6
183.41490	0.9
185.13304	1.1
187.14911	1.1
189.11229	2.7
189.12794	1.1
193.12134	1.4
195.13855	1.5
198.71762	1.4
199.11206	1.2
205.12254	1.9
223.13310	18.5
227.12779	4.3
227.17865	1.2
243.21014	2.0
245.18980	1.1
249.14891	2.8
261.22183	7.9
267.15900	1.0
273.18552	11.9
291.19553	100.0
292.19855	2.3
309.21078	1.0
317.24683	2.5
335.25806	93.2
336.26184	2.7
347.22174	1.8
365.23227	42.5
366.23331	1.7
511.59790	1.0
545.38123	3.8
557.39056	1.2
607.43695	2.5
625.44635	81.2
626.45227	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	822.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	15.3
57.07072	3.4
58.20673	1.9
59.44788	2.1
59.54690	2.1
65.03926	2.6
66.83829	2.1
67.05512	62.9
67.98916	2.0
69.03458	3.7
69.07076	13.4
69.76877	7.8
69.77296	3.9
71.05010	4.0
71.41333	2.0
79.05499	46.9
81.03426	99.4
81.07063	66.2
83.04976	5.8
83.08618	26.7
91.05488	38.9
93.07057	45.1
95.04974	31.5
95.08047	3.9
95.08614	45.8
97.02905	2.3
97.06540	7.7
97.10153	7.3
105.07041	27.7
107.04953	9.6
107.08613	25.5
109.06532	6.5
109.10181	22.2
111.08089	8.2
117.07029	9.7
119.08581	25.8
121.06481	5.1
121.10165	24.1
123.08047	3.1
123.11731	6.6
125.09634	7.5
129.07034	12.7
131.08562	22.1
133.06499	4.6
133.10149	17.2
135.11674	12.6
138.71339	2.3
142.07816	2.2
143.08594	4.7
145.10155	10.6
147.08051	4.6
147.11682	14.6
149.09636	5.0
149.13281	8.1
157.10170	13.6
159.11725	9.0
161.13298	4.2
163.11174	2.5
163.14815	3.0
165.12784	2.9
171.11855	2.9
173.13301	7.7
175.11131	11.1
175.14830	2.5
177.12747	2.2
183.11789	2.5
185.13248	2.4
187.14891	3.5
189.11252	4.8
193.12242	32.2
211.13393	7.9
225.23718	2.1
227.12817	10.0
234.66437	2.7
243.21120	2.7
259.20572	3.2
261.22171	21.5
267.15942	100.0
268.16116	3.2
285.16965	4.2
290.80615	2.1
301.25269	5.2
317.24969	3.4
334.20236	2.4
335.25870	62.5
336.26254	2.2
347.15289	17.8
349.17014	4.0
384.86337	2.2
417.26324	2.7
421.26035	5.3
435.27463	3.7
435.32794	8.6
453.33862	13.0
471.34756	5.5
509.35654	3.0
527.37402	62.5
528.37543	3.4
545.30432	4.6
545.38422	75.3
545.50677	2.9
546.38696	4.6
607.36554	9.2
625.37720	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	821.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
63.28088	0.9
67.05497	2.4
67.23576	0.9
69.03432	2.8
70.06590	4.9
70.32381	3.9
72.08133	1.0
81.03426	1.6
85.02901	4.1
86.09721	2.6
91.05462	3.4
93.07056	5.1
94.06592	5.5
95.07339	3.5
96.08124	7.6
97.02932	2.0
97.06511	1.3
103.05416	1.1
108.04449	3.6
108.08117	13.2
110.09692	17.3
120.04530	1.4
120.08115	10.2
122.06053	8.6
122.09650	2.2
124.07591	2.0
134.06006	2.5
136.07602	8.4
138.09152	21.7
148.07570	5.4
150.09155	4.1
157.09958	1.2
160.03929	9.7
160.07576	1.3
161.20270	0.9
164.07054	1.0
165.79929	1.0
166.08659	31.2
167.08939	1.2
172.03922	2.6
180.10193	5.2
182.11775	4.4
190.04993	3.4
204.06564	4.1
209.10674	1.8
211.08757	2.3
211.12340	2.9
212.09471	1.7
213.10197	3.8
223.08658	4.2
223.12228	2.4
224.09462	2.3
225.10240	23.9
225.13750	1.8
226.10945	8.9
227.11798	8.9
232.09775	1.3
235.08635	2.0
235.12346	1.6
236.09438	1.8
237.06590	1.9
237.10234	17.5
237.13977	2.7
238.11087	7.1
239.08138	4.9
239.11794	24.2
240.12549	4.5
241.09787	1.6
248.09499	1.3
249.10214	4.5
250.10860	4.9
251.08110	7.3
251.11807	22.1
252.09061	1.3
252.12589	3.9
253.09761	11.8
253.13281	5.0
254.10472	6.2
254.13179	1.0
255.11276	2.1
263.11826	11.8
264.08978	1.5
264.12473	2.8
265.09732	24.9
265.13351	16.5
266.10468	9.5
266.14059	5.1
267.11325	7.6
268.09668	1.9
269.12885	1.6
271.10779	2.1
272.12329	1.1
273.12274	1.8
275.11710	2.0
277.09625	3.2
277.13116	1.2
278.10486	3.6
279.11319	19.2
281.12811	8.8
282.13492	1.2
283.10828	12.1
285.09415	2.1
285.12341	19.7
286.13202	2.4
287.13922	1.2
291.11337	3.6
292.11993	2.2
293.12930	9.1
295.10809	2.1
295.14279	1.6
296.11346	1.3
297.12332	6.7
297.15338	1.0
298.13132	7.8
299.13879	32.7
307.10626	2.6
309.12405	5.9
310.13116	4.7
311.13925	16.6
312.14511	2.3
313.15472	26.9
319.10745	1.4
321.12323	2.0
323.13943	12.8
324.14594	3.5
325.11862	3.4
325.15433	32.1
326.15845	1.6
327.13266	1.1
329.15094	1.1
337.11816	2.5
339.13446	6.3
340.14243	6.8
341.14990	61.9
342.15466	2.4
344.13861	1.4
351.13306	4.9
352.14108	7.4
353.14966	14.3
357.14429	2.6
358.15323	2.3
358.48138	1.2
359.16403	1.4
370.15198	1.3
371.16092	2.4
372.16953	3.4
373.17523	10.1
383.16071	18.1
384.16812	3.2
385.12878	2.1
385.17575	22.9
386.18469	2.7
390.18222	1.5
400.16138	1.5
414.18533	1.5
418.17569	3.1
446.20822	6.2
451.21149	1.9
462.20291	9.5
464.22177	2.2
474.20245	9.8
476.21600	3.2
478.23010	1.5
479.23877	2.9
492.21588	1.2
494.22876	55.7
495.22986	2.2
504.21191	4.7
505.22098	13.3
506.22888	100.0
507.23148	4.7
523.23114	3.6
526.19263	1.3
536.23895	2.0
537.24731	32.9
538.25513	21.0
581.24493	1.1
609.26306	1.6
627.28058	16.5
641.29138	2.1
659.30731	19.7
660.30634	1.7
667.27399	25.7
668.27496	6.5
699.29834	12.7
700.30511	1.4
821.31744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	3.4
69.03427	2.9
70.06599	13.7
71.55721	2.5
78.15359	2.2
81.07060	2.2
84.08148	4.7
85.02919	6.6
86.09718	7.4
91.05438	2.1
93.07057	4.4
94.06559	4.3
96.08149	9.4
97.02875	2.9
103.05441	3.3
105.66074	2.3
107.07309	2.5
108.08134	15.9
110.09689	13.6
120.08083	15.2
122.06072	4.4
122.09649	3.2
124.07591	5.2
129.10252	3.3
136.07588	11.0
138.09128	23.1
144.08406	2.6
145.04904	2.2
148.07626	4.4
150.09158	4.6
160.03946	4.4
166.08664	29.2
172.04012	3.3
180.10187	3.0
182.11778	4.2
185.80003	2.8
190.05020	4.2
204.06567	5.3
211.12315	4.4
212.09387	2.8
213.10292	6.7
223.08701	4.9
223.12354	2.4
224.09425	2.5
225.10252	28.9
226.10921	7.1
227.11786	9.4
237.10295	21.7
238.11008	9.2
239.08096	3.7
239.11855	24.3
240.12523	10.6
241.13129	6.5
242.13612	3.2
249.10252	3.9
250.11014	2.6
251.08090	8.4
251.11871	20.6
253.09747	16.0
253.13243	5.2
254.10507	3.2
263.11853	4.9
264.12698	3.0
265.09756	34.5
265.13403	12.2
266.10452	8.7
266.14093	7.4
267.11359	10.4
271.10770	6.0
278.10480	2.6
279.11301	20.1
281.12915	5.0
283.10834	12.9
284.11951	2.5
285.12378	49.9
286.13080	3.7
287.14047	2.7
293.12845	7.2
296.11536	2.4
297.12326	11.7
298.13303	11.1
299.13913	29.9
309.12354	2.6
310.13107	5.8
311.13913	18.4
312.05319	3.0
313.15454	19.6
324.14783	2.9
325.11987	3.4
325.15466	16.9
337.11707	2.9
339.13449	10.0
340.14130	5.8
341.14966	30.6
351.13156	3.7
352.14334	6.2
353.15216	11.1
357.14352	2.8
371.16208	6.9
372.16818	2.9
373.17554	10.9
385.17606	3.9
390.17941	2.5
418.17444	4.0
432.18436	2.6
446.20499	2.6
450.20319	6.1
451.21030	4.2
455.03745	2.5
462.20340	4.3
464.21835	2.8
474.20734	2.7
494.23212	3.6
504.21191	4.0
505.21927	11.4
506.22925	58.4
523.22943	5.7
536.23846	6.2
537.24774	100.0
538.25488	59.9
609.22357	5.2
627.28571	25.3
641.71942	2.6
659.30627	26.3
667.27655	13.3
668.27551	3.0
699.29974	23.5
842.68658	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	817.2186
Annotation	Kaempferol 3-(6''-sinapylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.03436	0.4
58.32571	0.3
63.57414	0.2
64.71481	0.2
65.03943	0.6
65.92746	0.3
66.63183	0.2
68.99798	0.4
69.03435	1.8
69.23058	1.0
69.23481	1.3
70.06590	2.8
71.01363	0.2
72.08157	0.7
77.03915	0.3
79.05475	0.4
81.03410	0.9
84.04498	0.5
84.08139	0.7
85.02903	1.6
86.09712	1.4
91.05481	6.5
95.04942	0.2
97.02904	2.8
99.04437	0.3
101.07092	0.2
105.03378	0.4
105.07104	0.3
107.05000	0.3
109.02824	0.4
110.07157	0.3
111.00781	0.6
115.08674	0.3
119.04946	11.3
120.08134	0.3
121.02865	3.2
123.64880	0.3
127.03895	0.9
129.10237	0.4
133.02859	0.4
135.04430	0.4
137.02325	0.7
147.04414	9.6
149.02368	0.3
153.01834	3.9
157.03978	0.9
157.06500	0.5
159.09204	0.3
159.11800	0.3
161.06021	0.4
164.04643	0.4
165.01863	1.9
174.03241	0.3
175.03914	18.2
179.07016	1.2
183.02887	0.9
185.06007	0.4
189.05307	0.2
192.04176	0.7
207.06534	40.7
208.06927	0.7
213.05444	1.5
213.99252	0.2
225.07625	0.7
231.06444	0.6
236.39951	0.2
241.04979	0.7
258.05365	1.3
259.06006	0.5
287.05499	100.0
288.05725	2.3
299.05472	0.5
329.06543	0.7
351.11057	0.4
369.11761	6.9
479.29572	0.3
633.87067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	8.5
57.07080	3.1
61.47860	2.0
65.03928	2.5
67.05508	47.0
69.07063	10.0
79.05500	31.7
81.07063	52.4
83.08619	6.4
91.05470	22.0
93.07049	41.5
95.04977	3.7
95.08607	37.0
97.06556	2.8
97.10189	3.2
105.07037	12.4
107.08593	21.6
109.10168	17.9
111.60902	2.4
117.07012	6.6
119.08589	13.3
121.10140	18.6
123.11722	6.2
131.08592	11.2
133.10123	10.2
135.11694	16.8
139.11194	2.5
145.10118	11.0
147.11674	6.6
149.13269	9.4
159.11696	7.6
161.13248	7.0
163.14787	4.3
173.13280	8.1
175.14842	2.6
176.54543	1.9
187.01430	2.2
194.99622	1.8
201.16412	2.2
229.22910	2.5
241.19522	2.7
243.21098	4.8
259.20551	4.9
261.22137	19.6
312.36353	2.1
317.24695	3.9
333.24146	7.0
335.25815	100.0
337.27286	10.7
521.43219	2.7
595.47449	16.2
613.47833	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	820.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	27.9
69.07069	8.6
71.07066	5.8
75.77126	6.0
76.17307	6.6
79.05483	14.5
79.05902	6.0
81.07065	29.8
91.05489	12.8
93.07060	21.1
95.08633	21.5
105.07058	8.2
106.10696	6.5
109.10195	14.2
110.33023	6.0
121.10171	11.1
133.10120	14.5
135.11728	8.2
145.10103	10.4
153.85390	6.0
159.11732	11.0
161.13174	7.5
229.19267	7.5
259.20529	7.9
261.22183	8.2
306.49091	6.3
335.25842	100.0
388.93280	6.7
453.25739	6.3
465.56277	6.6
595.46802	9.7
613.48230	11.0
722.00031	8.0
737.14880	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	817.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
60.04077	0.1
61.02932	1.1
65.03925	0.2
68.99786	0.2
69.03432	2.6
69.62479	0.7
69.62862	0.2
70.06518	0.2
71.01344	0.1
71.04952	0.4
73.02876	0.5
81.03422	1.2
83.01302	0.1
85.02911	9.9
87.04449	0.2
91.03920	0.4
92.02642	0.6
93.03402	0.8
97.02902	3.4
99.04421	0.4
109.02887	0.9
111.00809	0.2
121.02888	0.8
123.93719	0.1
126.03115	0.2
127.03929	1.9
134.35524	0.1
137.02316	0.4
139.03905	0.9
145.04977	2.0
151.03928	0.9
153.01831	6.1
163.03886	0.2
163.06017	0.2
165.01860	0.7
177.05455	0.3
183.04410	0.1
201.05446	0.6
203.03342	0.3
204.04179	0.1
217.04918	0.4
218.05775	0.4
218.77061	0.1
219.02892	0.2
228.04233	0.8
229.04980	2.9
231.02817	0.3
243.06587	0.2
245.04475	0.7
246.05247	1.6
256.03677	0.2
257.04477	2.6
260.03238	0.3
261.07523	0.3
271.06046	0.3
273.03943	1.3
274.04727	4.3
275.05145	0.1
284.03162	0.5
285.03961	4.5
286.04382	0.2
287.01822	0.2
288.06171	0.1
302.04242	13.5
303.04453	0.3
317.06570	100.0
318.06909	2.7
359.07523	0.7
493.09805	28.2
494.10126	1.1
548.32208	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	816.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44302	0.7
62.42557	0.7
68.07852	0.8
70.06598	81.8
71.06921	0.8
71.54195	0.9
74.06100	2.7
84.04522	4.3
84.08154	21.9
85.02898	2.3
97.02931	1.0
101.07123	1.1
102.05559	1.1
112.00906	0.9
112.07613	100.0
113.07922	1.3
125.62663	0.9
129.10251	28.5
130.04955	1.0
139.08635	0.8
140.07077	70.7
141.40039	0.7
144.34567	0.8
155.11917	0.9
155.66676	0.7
157.09747	19.1
168.06561	1.1
185.09300	1.3
201.12373	1.4
203.10349	2.3
212.13992	0.9
213.08751	1.5
218.15068	3.2
230.15121	3.1
231.09753	1.4
240.13460	4.1
245.05762	0.8
268.12918	13.1
317.06653	2.1
319.19720	4.8
323.17227	1.5
325.15210	1.0
332.14655	1.5
334.14197	1.5
341.18347	1.5
351.16663	8.9
369.17786	2.8
448.24124	1.3
480.21030	8.1
498.21887	3.6
549.29016	1.5
581.25714	0.9
599.26978	5.3
641.22070	1.0
709.36121	1.1
798.39001	1.6
816.40973	48.5
817.41486	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	817.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
61.02935	1.5
64.68713	0.2
65.03954	0.4
68.53543	0.3
69.03430	3.6
70.55807	0.7
71.04994	0.6
73.02914	0.4
73.24548	0.2
81.03426	1.8
84.37445	0.2
85.02911	17.4
88.93901	0.2
91.03950	0.5
92.02651	0.4
93.03398	0.5
97.02907	3.6
99.04450	0.7
107.98586	0.2
109.02853	1.7
111.00781	0.3
121.02866	0.9
127.03936	3.6
137.02364	0.3
139.03894	0.8
145.04970	3.6
151.03940	0.9
153.00685	0.5
153.01834	4.9
162.38707	0.3
163.06023	0.6
165.01884	0.5
177.05409	0.3
201.05463	0.5
205.02122	0.3
217.04977	0.5
218.05684	0.5
228.04189	1.1
229.05051	1.9
231.02768	0.3
245.04553	0.7
246.05278	1.0
257.04507	2.2
273.03787	1.2
274.04785	3.7
285.03964	4.0
302.04227	12.2
317.06573	100.0
318.06796	2.6
365.71112	0.3
432.32584	0.3
443.19174	0.3
493.09793	30.5
494.10098	1.1
616.52588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.2
58.24876	0.8
61.02932	17.4
67.40224	0.7
69.03436	12.6
70.06588	0.8
71.04996	1.2
71.54945	0.7
72.08161	1.0
73.02924	7.2
81.03428	5.5
85.02910	100.0
86.03275	0.8
87.04479	2.4
91.03960	17.6
97.02900	26.0
99.04448	4.1
103.03944	1.1
109.02880	6.9
115.03947	2.0
117.04511	0.6
120.08183	0.6
127.03925	31.5
130.47562	0.6
145.04970	68.7
163.06021	43.9
164.06451	0.9
204.08649	1.4
221.37047	0.7
241.07077	0.7
253.07144	0.8
271.08093	1.5
289.09311	2.6
325.11307	19.4
468.06058	0.7
811.42914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
61.02935	5.1
67.05515	6.0
69.03436	2.9
69.07081	1.5
71.33812	1.3
73.02943	4.4
79.05499	5.0
81.03424	1.4
81.07059	5.7
83.08609	0.7
85.02913	5.1
91.03994	3.2
91.05494	3.6
93.07053	4.9
95.08614	4.1
95.42692	0.6
97.02902	5.6
99.04466	0.6
101.02420	1.2
105.07052	2.9
107.07974	0.6
107.08627	2.5
109.02921	1.3
109.10191	1.1
119.08615	1.7
121.10173	1.8
127.03936	1.7
129.06985	0.6
131.08652	0.9
133.10176	2.4
135.11707	0.7
145.10262	0.7
184.07426	0.8
185.04292	1.1
225.73778	0.6
243.08557	2.5
326.23199	0.7
329.42126	0.7
519.29279	7.3
535.28967	4.5
620.39899	0.7
633.41003	0.7
813.51270	100.0
814.51807	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	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	13.2
58.42025	3.3
61.58801	4.0
65.03931	6.5
67.05169	6.4
67.05511	89.8
68.49197	3.5
69.03432	7.3
69.07078	26.5
71.05000	4.4
71.16951	7.6
73.90932	3.3
78.49612	3.4
79.05505	92.6
81.07063	94.9
83.08618	11.0
85.06628	3.1
91.05489	88.1
93.07053	100.0
95.04958	11.9
95.08616	77.7
97.06541	5.4
103.05541	4.4
104.08517	3.4
105.07038	81.6
107.08611	44.9
109.06519	5.3
109.10159	24.8
111.08121	3.3
113.09700	3.8
117.07033	26.3
119.08598	61.3
121.10174	41.1
123.11708	10.7
129.07028	14.4
131.08586	35.9
133.10138	58.3
135.11700	31.1
141.07016	3.8
142.07794	3.9
143.08563	11.6
145.10126	32.1
147.11696	44.3
149.13290	9.7
157.10159	12.6
159.11682	33.8
161.13266	26.9
163.14861	5.6
171.11714	13.7
173.13251	17.3
175.14825	12.5
183.11632	3.6
185.13310	7.9
187.14752	5.0
189.16481	4.3
199.14830	8.3
213.16316	5.2
229.19511	4.2
231.21124	7.8
241.19556	25.6
257.19055	8.3
259.20584	70.9
261.22153	10.1
299.23386	3.3
315.23154	4.8
333.24277	63.4
335.22009	6.7
335.25821	84.9
337.27136	3.7
392.67014	4.2
432.98309	3.4
500.42419	3.8
519.42145	6.6
537.42615	4.8
593.45715	11.2
611.46716	56.8
655.27649	3.5
828.72345	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	811.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
60.98531	0.4
61.02929	8.8
65.08139	0.5
69.03075	1.0
69.03431	14.3
70.06594	0.6
71.04998	2.1
71.54861	0.9
73.02919	3.8
81.03427	6.5
84.04514	0.9
84.08144	1.1
85.02912	100.0
86.03238	0.9
87.04485	2.3
91.03968	6.5
97.02903	25.9
99.04481	3.6
101.02371	0.5
103.03952	1.4
105.95779	0.4
109.02896	7.0
115.03941	0.9
127.03931	28.0
129.10258	0.6
145.04973	62.6
147.74953	0.5
157.39552	0.6
157.48967	0.4
158.61272	0.4
163.06027	27.3
170.08241	0.6
210.51981	0.6
211.06107	0.6
215.59572	0.5
253.06897	0.6
271.08295	1.4
289.09195	3.1
325.11313	20.9
326.11771	0.7
450.63318	0.5
452.43600	0.5
455.94620	0.6
718.01569	0.7
741.94336	0.6
836.47919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03184	1.8
57.03443	26.0
57.07068	2.6
58.09829	1.0
60.37826	1.0
61.02922	4.9
61.49962	1.2
64.74351	1.1
65.03931	5.7
67.05508	90.3
69.03430	3.0
69.07069	25.9
71.04991	3.2
71.29572	2.0
77.03928	1.5
79.05495	71.7
81.03428	2.9
81.07060	90.5
83.04973	4.5
83.08627	9.6
85.02915	4.7
85.06546	4.3
87.96560	1.1
91.05485	55.4
93.07046	80.8
95.04980	6.4
95.08611	68.7
95.09241	1.6
97.02902	4.3
97.06533	6.0
97.10165	4.5
99.08107	3.6
103.05520	1.5
105.04527	1.2
105.07034	50.4
107.08600	46.1
109.06524	4.6
109.10153	29.7
111.08092	3.3
113.09646	1.1
114.23764	1.2
115.05476	1.6
117.07021	19.1
119.08580	39.0
121.10143	36.6
123.08093	2.8
123.11691	7.6
125.09633	1.7
127.03912	2.2
129.06975	7.5
131.08575	27.5
133.09122	1.6
133.10135	30.7
134.70262	1.4
135.08022	1.8
135.11703	25.6
135.33286	1.0
137.09625	2.9
137.13232	1.9
143.08562	7.4
145.10121	21.8
147.11696	20.8
149.13261	11.2
151.11182	2.6
151.22089	1.1
157.10123	5.8
159.11700	16.5
161.13275	13.5
163.11134	2.0
163.14828	4.2
169.10222	1.3
171.11691	6.1
173.13266	9.3
175.14801	6.2
177.12750	1.3
183.11717	2.2
185.13199	5.8
187.14847	7.8
197.13309	1.4
199.14882	2.4
201.16348	2.4
203.14233	1.3
205.15941	3.6
213.16461	1.8
219.17412	1.9
221.18874	1.4
231.21001	1.8
232.90573	1.1
241.19571	9.0
243.21088	2.8
257.18817	1.9
259.20590	22.3
261.22012	7.0
263.23538	1.2
275.20184	1.2
277.21646	14.7
293.21149	2.5
295.22900	1.4
301.21509	1.4
306.27783	1.9
315.23291	2.0
317.24710	2.0
333.24228	13.3
335.25800	100.0
336.26062	2.5
337.27405	1.6
351.25278	30.5
353.03989	1.1
386.31180	1.2
477.43994	1.3
525.39899	1.3
529.39069	2.4
539.06580	1.0
553.42682	1.8
593.45898	2.6
611.46735	35.0
612.46747	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	807.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.5
56.25007	0.9
61.02943	1.1
67.05510	4.7
67.79118	0.8
69.03440	2.3
70.06246	1.4
70.06595	17.0
71.55098	0.9
71.55509	1.0
72.08179	1.3
73.02969	1.1
79.05496	1.4
80.05009	1.1
82.06601	1.1
84.08141	1.9
85.02902	3.2
86.06079	2.2
86.09717	8.7
91.05479	2.8
93.07040	3.8
94.06551	9.5
95.04982	1.6
95.07359	4.4
96.08142	8.2
97.02870	1.0
103.05480	1.6
107.07322	1.6
108.04498	1.6
108.08124	8.3
109.08864	1.2
110.09692	15.6
115.08720	1.2
118.06531	0.9
120.08120	13.6
121.06490	0.9
122.06046	11.4
122.09660	2.1
124.07600	1.7
129.10262	1.0
132.04430	1.1
134.06021	2.8
136.07591	8.3
137.08372	1.1
138.09145	22.1
148.07587	4.2
148.71753	0.9
150.09154	4.9
152.07071	3.9
155.08264	0.9
160.03967	7.1
164.07069	5.1
164.17593	0.8
166.08649	32.4
167.09056	1.1
171.11223	1.0
172.03925	2.2
174.29149	0.8
178.05130	1.5
178.82559	0.9
179.99113	0.9
190.05017	1.4
199.08714	2.0
203.10284	2.1
204.06670	2.3
210.11395	1.1
211.08670	3.2
211.12279	1.2
213.10301	3.3
221.10750	1.4
222.11520	1.3
223.08638	4.3
223.12279	1.9
224.09412	1.0
224.13229	1.5
225.10237	16.8
226.10957	6.1
227.11792	3.8
231.94527	0.9
235.08720	3.6
235.12318	1.1
236.09511	2.1
236.12996	1.0
237.10219	7.9
237.13924	1.9
238.10927	5.9
239.08194	7.1
239.11769	15.1
240.12593	3.6
241.09840	1.2
241.13380	1.5
247.12364	1.3
248.09341	1.0
249.10197	7.4
250.11005	8.1
251.08211	4.3
251.11810	22.9
252.09041	1.7
252.12497	2.7
253.09818	5.9
253.13354	11.1
254.10533	11.7
254.14116	1.9
255.11176	2.2
261.10223	1.0
263.11801	13.2
264.08957	1.5
264.12601	10.3
265.09799	6.6
265.13388	24.6
266.10544	4.5
266.14026	2.5
267.11279	5.0
267.14896	2.1
269.12878	1.5
271.10812	1.3
276.10098	1.1
277.09726	2.0
278.10458	2.8
279.11282	9.2
280.12070	1.7
281.12866	13.1
282.13715	2.4
283.10788	7.9
283.14413	4.6
284.11725	1.7
285.12314	13.3
286.12961	2.2
291.11203	3.2
292.11945	1.7
293.12823	9.9
294.03574	1.0
294.13544	3.7
295.10809	2.5
295.14297	2.2
296.11606	4.9
297.12332	9.6
298.13162	1.3
299.13849	14.8
307.10809	1.2
308.11615	1.3
309.12341	61.5
310.13141	5.9
311.13907	28.7
312.14328	1.2
313.11969	1.1
319.10721	2.4
321.12332	5.6
324.11310	1.1
325.11859	4.1
327.13403	97.2
328.13812	4.2
337.11823	15.4
338.12543	7.9
339.13391	19.3
340.14325	1.6
341.15012	2.3
344.13815	1.8
357.14288	4.6
358.15390	2.6
359.16043	7.5
369.14465	31.1
370.15173	2.9
371.16061	38.7
372.16663	2.9
386.18756	2.0
404.19672	3.4
414.17966	1.8
416.19769	15.1
430.17703	3.2
432.19373	8.1
433.19519	1.0
442.17673	2.2
448.18542	19.8
460.18686	71.4
461.18829	2.1
462.20514	1.3
474.20169	6.0
478.19797	1.7
480.21332	51.6
481.21390	2.7
490.19385	1.5
492.21323	100.0
493.21652	5.1
522.22266	2.5
523.23193	2.9
524.23694	2.5
595.25244	5.0
613.26550	37.3
614.26648	2.9
631.35535	1.7
645.29059	6.6
654.26434	3.0
775.31049	1.1
807.94440	4.3
808.19659	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	807.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	2.6
67.05505	5.1
67.47475	1.5
68.05056	2.0
69.03442	4.1
69.07067	2.9
70.03686	2.9
70.04093	5.6
70.06596	36.0
72.08157	5.4
74.06088	4.7
79.05506	2.8
81.03438	3.7
83.45799	1.5
84.04507	3.4
84.08144	6.7
85.02907	4.7
86.06078	6.0
86.09708	39.4
87.05595	2.5
91.05476	4.0
93.07069	3.9
94.06576	7.8
95.04973	2.6
95.07354	4.9
95.08595	2.5
96.08128	13.1
97.02906	2.0
98.06044	1.8
98.21385	3.0
103.05473	2.9
103.26157	1.8
106.06577	3.0
108.04457	2.4
108.08132	14.3
110.09695	22.3
115.08680	2.1
120.08121	29.7
121.06493	1.8
122.06033	11.2
122.09625	2.7
124.07599	4.1
129.10265	3.8
134.05988	2.1
136.07593	16.4
137.05954	1.8
138.09137	31.3
141.10143	2.2
142.12312	1.9
146.29596	1.6
148.07565	6.9
150.05508	1.8
150.09181	6.4
152.07059	4.3
153.20273	1.5
160.03983	6.7
162.05684	1.6
164.07085	4.2
166.08661	42.7
167.07059	2.5
172.04004	3.1
178.04994	1.8
186.12373	2.1
190.04919	2.0
193.66805	1.9
203.10292	2.1
204.06609	4.0
204.39258	1.4
210.08937	1.6
210.11618	2.2
211.08707	3.4
211.12323	2.3
213.10278	3.1
221.10767	1.7
222.11528	2.4
223.08455	8.4
223.12292	2.8
225.10258	21.5
225.13901	3.4
226.10945	10.0
227.08119	1.8
227.11819	5.0
229.13440	2.0
235.08772	2.0
236.09227	1.7
237.10262	12.9
237.13753	4.3
238.11079	7.2
239.08212	7.1
239.11810	19.6
239.13882	3.6
240.12535	8.6
241.13239	4.3
249.10274	6.1
250.11017	6.5
251.08438	8.2
251.11789	22.1
252.12697	5.3
253.09767	8.4
253.13342	9.8
254.10428	13.3
255.11320	3.2
257.14984	1.8
262.11758	1.7
263.11792	10.4
264.12610	6.4
265.09778	18.0
265.13367	23.1
266.10526	8.5
266.14053	3.6
267.11328	6.7
267.15063	3.1
269.12909	2.8
271.10712	3.3
273.12164	1.9
277.09897	3.5
277.13556	1.5
278.10455	1.8
279.11227	17.3
280.12012	2.8
281.12766	14.1
282.09988	2.0
282.13208	2.7
283.10831	12.5
283.14471	4.4
284.11578	4.7
285.12357	21.9
287.14157	2.4
291.11218	2.7
293.12924	11.0
294.13388	3.9
295.10922	3.4
295.14380	4.6
296.11600	3.6
297.12372	13.0
298.13089	3.8
299.13931	17.1
300.15329	1.7
301.15521	2.1
307.10724	3.0
309.12335	43.8
310.13083	5.1
311.13873	28.5
311.17261	2.4
319.10742	3.2
320.11478	2.0
321.12335	6.1
325.11868	12.6
326.12460	5.1
327.13391	79.4
328.13898	4.9
337.11859	14.0
338.12537	9.8
339.13354	17.8
341.14975	2.1
355.12796	1.9
357.14661	7.2
358.15253	2.5
359.16147	10.1
369.14484	17.2
370.15393	2.7
371.16037	28.4
386.18658	2.5
404.20557	2.7
416.19714	7.7
418.17377	4.3
420.19302	2.0
430.17581	5.3
432.19308	8.5
442.17340	1.8
446.20728	1.8
448.18454	13.0
450.20398	3.1
460.18689	37.2
466.23355	2.4
474.20245	5.8
480.21335	39.0
481.21262	2.1
490.19702	6.6
491.20264	7.8
492.21329	100.0
493.21228	5.0
509.21399	3.4
522.22302	4.8
523.23218	21.6
524.23901	13.0
575.28033	3.2
595.25360	4.7
613.26526	32.8
624.84052	1.9
627.27179	2.4
645.29340	13.8
646.29541	3.1
653.25745	22.4
654.25958	6.7
685.28571	12.6
775.30237	2.7
807.94293	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	807.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.1
69.03427	3.8
69.28114	6.6
69.28525	1.9
70.06600	4.7
72.08131	0.9
79.05501	1.5
81.03426	1.8
81.07061	1.1
82.06580	1.2
85.02918	4.9
86.09707	2.5
91.05487	1.3
93.05810	1.5
93.07050	2.4
93.80388	0.9
94.06563	6.4
95.07355	2.5
96.08149	7.6
97.02898	1.6
98.19021	0.9
106.06554	3.4
107.07336	1.7
108.08125	15.3
110.09687	9.6
116.04966	2.1
119.59421	0.9
120.04477	3.1
120.08118	10.4
121.06470	1.3
121.08874	1.1
122.06046	10.2
122.09683	4.0
124.07588	6.5
132.08109	1.2
134.06044	1.5
136.07584	25.1
137.08414	1.2
138.05507	1.1
138.09146	19.9
144.04478	4.3
144.08078	1.0
146.06012	7.7
146.09570	1.3
148.07576	16.6
149.08305	0.9
150.09161	11.7
152.07095	22.6
160.07600	1.4
162.05533	2.6
162.09090	0.9
164.07053	5.7
166.08649	48.0
172.03947	20.1
174.05507	1.8
174.09204	1.9
176.07100	2.8
178.05096	0.9
188.07047	1.0
189.85835	0.9
190.04996	16.8
194.08173	1.9
197.10829	1.6
198.11548	2.1
199.12219	1.3
204.06575	29.1
209.10780	1.7
210.09676	1.1
210.11426	5.1
211.12280	5.2
212.09402	1.7
212.12881	1.1
213.10313	1.4
218.08086	1.9
221.10764	1.3
223.12234	4.5
224.09361	0.9
225.10246	8.0
225.13817	2.0
226.10991	4.7
227.11826	4.6
229.09689	1.3
229.13342	1.7
235.08682	1.7
235.12447	2.6
236.09454	1.9
236.12991	1.1
237.10216	8.1
237.13936	2.2
238.10956	8.2
239.11835	10.2
240.12668	1.7
241.09741	1.1
241.13322	1.9
246.07669	2.9
248.09407	1.0
249.10248	7.9
250.10902	4.8
251.08147	1.5
251.09081	1.5
251.11806	16.7
252.08890	1.1
252.12637	3.3
253.09787	2.8
253.13383	6.7
254.10435	1.2
255.11388	4.4
256.12048	1.3
257.12808	2.0
259.14462	1.3
262.10965	2.8
263.11835	17.5
264.08929	2.5
264.12604	4.1
265.09772	8.8
265.13367	11.2
266.10504	5.4
266.13797	1.1
267.11292	20.1
268.11942	2.0
269.12848	4.0
271.11044	2.3
271.14444	6.5
273.12384	3.8
275.11868	1.5
276.08838	1.6
277.09750	3.7
277.13098	1.4
278.10553	3.4
279.11292	33.1
279.14371	1.7
280.12021	4.6
281.12827	11.7
282.09943	1.6
282.13419	1.6
283.10724	5.2
284.11560	10.2
285.12354	38.2
286.12885	1.1
287.13956	2.1
289.15567	2.3
290.10785	1.0
291.11319	17.6
292.12073	4.7
293.09613	1.5
293.12848	15.1
294.13397	1.8
295.10864	3.7
295.14240	1.4
296.11490	5.4
297.12350	43.6
298.13043	3.2
299.13940	9.3
305.09198	1.0
307.10803	4.2
309.12329	20.9
310.13196	3.2
311.10223	5.1
311.13916	4.7
313.11746	2.5
316.14386	1.2
319.10776	11.6
321.12323	11.6
322.12903	1.0
323.10342	11.2
323.13821	1.5
324.10828	1.3
325.11865	21.7
325.15494	1.9
326.12454	2.1
327.13376	10.2
328.14178	2.6
330.15955	1.6
332.17654	1.5
337.11832	56.3
338.12543	3.8
339.13400	7.0
342.12411	1.3
343.12894	4.3
344.13977	1.0
351.13675	1.5
355.13013	2.3
356.13843	1.7
357.14484	11.3
358.15289	1.8
359.15915	1.6
369.14606	3.5
370.15436	1.5
371.16168	2.5
372.16968	2.1
373.13879	1.8
374.18869	1.7
376.16238	1.1
376.20486	1.3
385.14075	1.3
388.16519	1.3
390.17975	1.3
392.19598	2.3
399.15695	1.3
400.16464	2.5
402.18134	2.5
403.18842	1.0
404.20111	4.6
406.17535	1.4
412.16702	3.0
414.18094	1.6
416.20013	1.5
418.17441	1.6
420.18948	1.9
421.19958	1.7
422.20731	1.6
428.19818	1.1
430.17438	8.9
431.18369	1.5
432.18982	6.0
433.19846	1.0
436.18460	1.4
442.17358	1.7
444.19119	2.8
446.20749	4.9
448.18704	24.4
448.28424	1.0
449.19510	14.4
450.20398	10.2
451.21741	1.0
460.18726	18.9
461.19250	2.4
462.20270	4.7
463.20789	1.4
472.18604	3.2
473.17886	1.0
474.20343	4.4
476.18289	5.7
477.18872	8.5
478.19705	5.5
480.21207	3.5
487.17050	5.4
490.19800	42.7
491.20349	2.5
492.21268	10.0
507.23926	1.1
522.22498	11.7
523.22772	3.1
567.25201	1.1
585.27368	1.3
594.24109	1.8
595.25610	11.1
608.25995	1.9
611.24524	3.0
612.25275	7.0
613.26569	100.0
614.26825	7.0
634.23761	1.7
636.25409	1.6
645.29218	10.3
652.24945	23.6
653.25836	11.8
654.26678	5.8
684.27698	6.9
685.28943	4.4
685.39032	1.4
757.30518	1.4
775.31903	21.5
776.31635	2.4
793.98492	1.0
807.34113	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	807.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64914	0.6
61.02906	0.6
67.05509	5.2
69.03400	2.1
70.06585	3.8
70.60200	1.2
70.60574	1.1
72.08133	1.4
72.36960	0.6
77.74982	0.6
79.05481	1.6
80.04986	0.9
81.03391	1.4
82.06578	1.3
84.04517	1.3
84.08134	1.7
85.02901	3.9
86.09682	1.8
91.05452	2.1
93.07052	3.2
94.06574	7.4
95.07348	4.3
95.08609	1.1
96.07552	0.8
96.08131	10.5
97.02827	1.1
97.06495	1.3
98.01609	0.5
99.86546	0.5
102.05507	0.6
103.05435	1.4
105.05724	0.6
106.06535	0.8
107.07330	1.4
108.04453	2.5
108.08118	11.9
110.05994	0.6
110.07133	0.6
110.09686	17.6
110.53573	0.5
118.06493	0.6
120.08107	14.2
122.06036	13.0
122.09650	1.9
124.07563	2.3
127.03909	0.8
129.10191	1.1
134.05991	2.8
136.07588	9.7
137.08330	0.7
138.09143	25.5
139.09514	0.6
146.05988	1.2
148.07567	5.1
150.09149	6.1
152.07072	3.5
160.03941	7.6
160.07550	0.8
164.07047	4.0
166.08640	39.7
168.10182	1.4
172.03958	2.9
177.78654	0.6
178.04959	2.6
190.04970	1.7
192.06519	0.8
197.10757	1.0
199.08678	2.1
199.12396	0.6
204.06587	3.5
209.10741	1.1
210.11571	1.1
211.08615	4.2
211.12259	2.4
212.09393	1.7
212.13098	0.6
213.10283	4.0
213.13808	1.1
221.10857	1.4
222.11447	1.2
223.08679	7.6
223.12271	2.5
224.09425	1.7
224.13069	1.6
225.10228	24.0
225.13762	1.4
226.10944	8.8
227.11794	6.5
229.12971	0.5
235.08710	2.3
235.12334	2.3
236.09402	1.8
236.13144	0.7
237.10246	11.7
237.13814	2.7
238.10994	8.8
238.14629	0.7
239.08170	6.7
239.11789	18.8
240.12534	5.5
241.09663	0.9
241.13318	2.2
243.15053	0.6
247.12312	1.1
248.09354	1.4
249.10190	7.0
250.11023	8.8
251.08168	9.3
251.11797	23.5
252.08923	1.7
252.12610	5.2
253.09735	8.1
253.13350	12.9
254.10510	13.3
254.13489	0.9
255.11227	2.0
255.14883	1.4
262.11081	1.0
263.08841	0.9
263.11810	11.1
264.09030	1.6
264.12573	8.1
265.09744	14.1
265.13348	24.0
266.10455	4.9
266.14063	3.1
267.11255	7.2
267.14886	2.9
268.12076	1.5
269.12897	1.8
271.10782	3.0
271.14178	1.1
273.12277	0.7
275.11826	1.4
277.09674	2.0
278.10544	2.7
279.11295	14.4
280.09399	0.8
280.12137	1.1
281.12845	14.7
282.10324	1.2
282.13577	3.1
283.10782	11.1
283.14395	5.8
284.11530	2.8
285.12326	23.5
286.13077	3.3
287.14075	0.8
291.11264	4.2
292.12073	1.8
293.09592	0.8
293.12796	9.8
294.13809	2.9
295.10730	3.6
295.14377	3.6
296.11575	4.5
297.12341	11.0
298.13058	5.3
299.13870	19.5
300.14383	1.0
307.10822	1.9
308.11667	1.2
309.12338	54.7
310.13016	5.2
311.10257	1.5
311.13885	29.7
312.14532	1.7
313.11877	1.3
313.15527	1.3
314.12851	0.6
319.10916	3.5
320.11667	1.6
321.12283	6.3
322.13162	0.7
323.10437	1.4
324.11087	2.0
325.11856	7.5
325.15457	1.1
326.12378	3.8
327.13397	92.5
328.13812	2.7
330.16031	0.8
337.11853	11.5
338.12564	10.1
339.13373	18.5
340.13629	0.8
341.15109	2.2
344.13828	1.3
351.13715	0.8
355.12872	0.8
356.13712	1.1
357.14490	7.8
358.15149	3.2
359.16058	9.5
360.16736	1.0
369.14444	25.0
370.15335	3.3
371.16019	34.6
372.16675	2.6
386.18674	1.7
387.15723	0.7
400.16336	1.0
401.17047	0.9
404.19849	3.3
414.18033	3.0
416.19727	12.8
418.17618	2.3
430.17471	4.1
432.19196	6.5
433.19699	0.7
442.17584	2.2
444.19058	0.7
446.20969	1.8
447.21533	0.9
448.18521	18.7
449.19238	0.7
450.20404	2.2
451.21317	0.8
460.18668	62.2
461.19211	3.8
462.20151	1.1
464.21786	1.4
474.20038	5.2
478.19827	1.4
480.21313	44.6
481.21725	1.8
490.19772	3.5
491.20212	3.6
492.21292	100.0
493.21594	5.4
509.21854	1.1
522.22345	4.1
523.23145	31.2
524.23865	19.9
569.27966	1.1
595.25745	4.1
613.26569	40.9
614.26959	2.4
627.27765	1.9
645.29108	15.3
646.29016	1.3
653.26147	3.1
654.26123	2.4
685.28345	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	807.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.9
57.03421	2.2
61.02919	1.7
67.05505	5.4
67.48316	1.5
69.03414	2.2
69.07064	3.3
70.06595	37.4
71.55565	2.4
72.08154	6.0
74.06075	3.0
79.05505	2.6
81.03416	2.0
81.07063	2.0
82.06581	1.6
84.04490	3.3
84.08161	7.8
85.02903	5.5
86.06059	4.7
86.09713	31.4
87.05567	2.6
91.05474	5.5
93.07050	6.5
94.06574	11.1
94.17686	1.5
95.07336	6.5
96.08128	13.5
97.02906	2.5
97.06533	2.1
98.06052	1.6
103.05464	1.5
104.05338	2.7
106.06564	1.9
108.04514	3.8
108.08115	13.9
110.09687	23.8
115.08674	2.4
120.04514	2.2
120.08116	28.5
121.06548	2.5
122.06010	12.4
122.09649	2.7
124.07610	3.7
129.10226	4.6
132.04440	1.6
134.06015	2.4
136.07564	13.6
137.08357	2.3
138.09149	27.6
141.10226	2.1
144.04616	1.8
145.02827	3.2
146.06000	1.9
148.07608	7.4
150.09142	5.9
152.07121	3.8
158.47864	1.7
160.03951	5.6
160.07518	1.7
164.07065	2.4
166.08650	44.6
168.10178	2.6
172.03935	3.1
172.07426	1.8
174.09288	2.4
178.04971	2.5
190.05090	2.4
199.08714	2.6
204.06601	5.1
207.99759	1.4
211.12401	3.6
212.09354	1.8
213.10265	4.2
223.08632	8.8
223.12375	2.6
225.10249	22.9
225.13759	2.9
226.11012	7.0
227.11772	7.0
235.12350	2.2
236.12981	2.6
237.10234	12.9
237.13873	3.8
238.11031	9.8
239.08287	7.5
239.11768	20.3
239.13875	2.6
240.12570	7.1
241.13379	3.8
245.34489	1.6
249.10188	9.0
250.11075	6.9
251.08084	9.8
251.11786	21.9
252.12540	6.1
253.09671	11.0
253.13379	14.2
254.10574	11.9
255.11276	2.9
255.14929	3.0
262.11185	2.0
263.11823	12.1
264.08984	2.4
264.12589	6.5
265.09769	19.0
265.13364	25.0
266.10535	11.8
266.13873	3.3
267.11319	11.3
267.14856	2.2
269.12759	3.8
271.10864	4.0
273.12222	2.4
275.11920	1.9
276.12711	1.7
277.09714	2.0
279.11325	16.2
280.11951	3.2
281.12814	17.5
282.10114	2.1
283.10742	14.6
283.14279	5.0
284.11606	3.6
285.12393	27.6
291.11304	5.1
292.12015	2.4
293.12686	9.7
294.10464	2.0
294.13602	2.0
295.11069	2.5
295.14429	5.1
296.11389	2.5
297.12408	15.7
298.13068	4.3
299.13882	15.5
300.15469	1.9
301.15396	3.4
307.10684	5.9
309.12357	32.4
310.13043	6.2
311.13879	22.8
313.15231	3.6
316.14163	1.8
321.12286	5.9
325.11948	9.9
326.12677	5.0
327.13373	77.9
328.13815	4.7
337.11856	13.4
338.12775	10.2
339.13339	17.0
341.14990	5.4
355.12976	2.4
357.14337	8.4
358.15140	2.3
359.16000	12.3
369.14444	18.0
370.15198	3.2
371.16052	26.1
372.16724	2.8
383.15833	2.0
404.20334	2.5
414.18399	2.2
416.19638	7.3
418.17343	3.1
430.17450	3.4
432.19174	7.0
442.17490	3.8
444.19308	1.9
448.18442	14.9
450.20224	3.3
460.18597	31.2
462.20340	2.3
464.21780	3.4
465.22751	4.0
474.19980	5.8
480.21310	35.3
490.19720	9.0
491.20636	10.5
492.21298	100.0
493.21313	4.6
509.21521	4.1
522.22272	6.3
523.23010	23.0
524.23645	19.4
585.27496	1.9
595.25305	6.2
613.26526	38.5
614.26941	2.4
645.29382	18.3
653.25800	27.9
654.26312	9.5
685.28613	15.4
705.20184	1.7
807.94421	4.2
808.19556	6.8
808.44232	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	807.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71395	1.5
61.02925	1.9
62.43633	1.5
62.51830	1.5
67.05514	2.6
68.82027	1.6
69.03424	5.0
69.95541	7.3
70.06603	7.8
72.08167	3.3
79.05486	2.4
82.06603	2.5
82.99722	1.5
84.04499	1.9
84.08141	3.3
85.02905	7.6
86.09695	3.0
91.05482	4.3
93.07027	7.1
94.06580	12.7
95.04970	3.2
95.07330	7.5
95.07928	1.5
95.08601	2.2
96.08135	15.9
97.02874	3.2
97.06509	2.2
102.38145	2.1
108.04514	1.8
108.08130	25.9
110.09695	28.7
120.04510	3.7
120.08121	20.2
122.06044	10.6
122.09619	4.3
124.07603	4.8
129.10271	1.6
136.07578	18.5
137.08391	2.4
138.09149	38.6
146.05977	2.5
148.07587	9.4
150.09169	11.8
152.07042	4.9
160.03923	2.4
164.07193	1.5
166.08653	70.7
168.10178	4.7
172.03940	5.7
190.05028	4.4
199.08754	3.9
204.06572	8.8
210.11496	1.8
211.08650	3.7
211.12355	5.4
212.13071	2.2
213.10284	8.0
223.08688	12.8
223.12241	4.2
224.09435	2.2
225.10252	43.6
225.13690	2.1
226.08963	2.1
226.11008	10.1
227.11784	16.6
235.08673	2.7
236.09366	2.3
237.06534	2.4
237.10249	27.9
237.13850	3.1
238.11026	18.1
239.08092	5.7
239.11792	33.7
240.12605	7.0
241.13370	5.3
249.10289	6.6
250.11092	5.3
251.08194	14.8
251.11797	26.6
252.10309	2.6
252.12607	5.9
253.09727	19.2
253.13316	14.2
254.10448	10.0
255.11212	3.4
255.15009	2.4
257.12851	2.4
263.11911	8.4
264.08926	3.4
264.12552	6.0
265.07126	3.6
265.09738	50.3
265.13327	22.3
266.10516	26.6
266.13718	3.6
267.11227	13.1
267.14871	4.9
268.12076	2.6
269.12851	4.5
271.10791	4.8
273.12418	3.5
275.11710	2.2
277.09845	4.5
277.13345	3.6
278.10577	2.1
279.11279	34.7
280.12119	2.7
281.12881	22.6
282.10162	2.5
283.10782	23.5
283.14377	12.1
284.11545	6.2
285.12366	45.9
286.13107	4.6
287.13910	2.1
291.11328	4.5
293.12830	13.8
294.13474	4.0
295.11127	3.6
295.14432	9.1
296.11646	4.1
297.12341	24.8
298.13211	8.1
299.13989	22.6
300.14841	2.4
301.15552	5.2
307.10855	9.1
309.12405	20.0
310.13043	4.0
311.13895	24.6
313.15497	4.2
319.10773	3.2
321.12354	9.0
323.10025	2.0
325.11920	24.5
325.15570	3.3
326.12778	10.7
327.13416	71.8
328.14038	3.2
337.11963	11.1
338.12555	17.4
339.13409	29.8
340.14090	2.6
343.12946	2.2
357.14578	14.4
358.15298	5.6
359.16199	10.9
369.14343	3.3
370.15363	2.6
371.16055	5.9
390.18106	3.1
404.19760	2.0
414.17911	3.0
416.19992	2.4
418.17319	10.9
422.20917	4.1
430.17477	3.4
432.19208	7.0
434.20898	2.4
442.17313	2.3
444.18576	2.6
446.20917	2.6
448.18588	5.6
450.20209	7.4
451.20273	2.7
460.18903	8.2
462.20111	4.0
464.21814	4.7
465.22522	7.2
466.23285	5.6
474.20361	10.0
478.19812	4.1
480.21176	7.1
490.19791	17.4
491.20468	29.1
492.21353	100.0
493.21417	5.4
509.21509	8.8
522.22351	9.1
523.23157	79.6
524.23981	45.8
569.27850	2.9
587.28406	4.7
595.25079	5.7
613.26532	57.7
614.26385	4.9
636.25220	2.7
645.29218	32.5
646.28925	2.2
652.24786	4.3
653.25793	83.0
654.26489	22.3
673.97235	2.4
685.28424	44.6
686.28656	5.6
717.45367	2.7
739.29614	2.5
775.31390	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	806.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.8
58.00846	1.6
58.65737	1.8
61.02916	2.9
67.05518	36.0
69.07067	9.1
69.33389	1.9
69.86745	9.5
79.05505	20.1
81.07070	32.8
83.08648	2.8
85.02917	2.5
91.03982	2.6
91.05511	10.8
93.07048	23.6
95.08624	24.2
97.02893	2.6
98.63088	2.1
100.86983	1.9
105.07038	10.1
107.08614	14.7
109.10188	8.4
117.07042	2.2
119.08597	3.7
121.10152	13.9
123.11721	4.5
131.08571	4.3
133.10167	9.0
135.11716	7.3
145.10126	2.8
147.11690	6.0
149.13210	4.9
159.11705	4.8
161.13286	5.7
173.13231	4.9
201.49966	2.0
243.21223	3.8
259.20572	5.6
261.22211	13.2
304.26270	5.4
317.24936	2.7
335.25836	100.0
336.26434	2.4
337.27451	4.2
373.32602	2.3
383.00076	2.0
595.47412	14.5
613.47687	5.2
619.08954	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	803.2237
Annotation	Isorhamnetin 3-gentiotrioside
Peak:m/z	Relative Intensity
57.03442	0.9
57.51640	0.1
61.02930	1.2
68.99805	0.2
69.03076	0.2
69.03428	3.5
69.46565	0.3
69.46975	0.7
70.06580	0.5
71.04995	0.4
73.02908	0.4
81.03415	1.5
85.02908	15.0
86.09695	0.5
87.04470	0.3
91.03960	0.3
92.02625	0.4
93.03392	0.5
97.02895	4.2
98.20744	0.2
99.04456	0.6
103.47370	0.1
109.02882	1.3
111.00818	0.2
115.03919	0.1
121.02866	0.7
126.03084	0.2
127.03922	2.8
135.04366	0.1
136.07533	0.1
137.02332	0.3
139.03926	0.7
145.04956	3.2
150.05612	0.1
151.03908	0.7
153.01833	5.1
163.06030	0.5
165.01840	0.7
173.05945	0.2
177.05458	0.3
183.02930	0.2
201.05473	0.4
203.03391	0.3
217.04996	0.3
218.05801	0.3
228.04222	0.8
229.04965	2.2
229.07060	0.2
245.04485	0.6
246.05269	1.2
256.03622	0.3
257.04428	2.1
260.03317	0.2
261.07410	0.2
271.06128	0.2
273.03915	1.2
274.04739	3.2
275.05234	0.1
284.03214	0.2
285.03955	4.2
287.02078	0.2
287.05557	0.3
288.05975	0.2
302.04218	11.9
303.04901	1.2
314.57599	0.2
317.06558	100.0
318.06915	2.1
329.06781	0.2
359.07684	0.2
419.54886	0.1
479.11899	13.5
480.12100	0.3
665.86450	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	805.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07600	0.4
57.03419	0.6
67.05457	0.6
69.03435	2.2
70.06609	3.0
70.20929	1.0
70.21333	1.0
72.08150	0.8
73.02901	0.6
76.57491	0.5
79.05501	0.8
80.05024	1.0
81.03441	1.2
84.08147	0.6
85.02905	2.5
86.09707	1.9
88.24078	0.5
91.05495	1.1
93.07043	1.8
94.06561	1.8
95.04993	0.7
95.07353	1.6
96.08142	3.3
97.02892	1.4
108.08121	5.8
110.06073	0.6
110.09686	7.4
113.36610	0.5
120.08122	5.3
122.06031	4.4
122.09706	0.6
124.07636	1.3
127.03911	0.8
129.10309	0.5
136.07579	7.3
138.09137	11.1
146.09647	1.0
148.07588	2.6
150.09174	2.1
152.07114	0.6
166.08646	16.5
211.08704	0.8
211.12413	0.7
221.10861	0.7
223.08714	0.9
223.12305	0.5
225.10170	0.7
235.08646	3.6
235.12299	0.6
236.09398	1.2
237.10265	6.3
238.10980	3.4
239.11784	3.8
247.08702	2.7
248.09474	3.5
249.10243	12.1
249.12610	1.0
250.11040	12.0
251.11786	10.4
252.12477	1.6
253.09766	1.7
253.13419	1.0
254.27515	0.6
261.10214	4.6
262.11069	4.3
263.08881	1.1
263.11798	28.3
264.09109	1.6
264.12402	3.0
265.09833	3.7
265.13257	4.7
266.10660	0.8
266.14108	0.7
267.11356	1.8
269.12796	0.8
275.11899	0.7
277.09729	4.5
278.10495	2.9
279.11295	24.1
280.11917	1.2
281.09546	0.9
281.12897	4.3
282.09930	3.0
283.10867	1.5
283.14066	0.6
285.12610	0.7
286.20630	0.5
289.09753	1.6
291.11307	14.1
291.14465	1.0
292.12045	2.9
293.09555	1.1
293.12790	5.4
294.09872	0.7
295.10889	4.4
295.14087	1.0
296.11661	1.9
297.12408	3.5
307.10773	9.4
308.11456	0.8
309.12347	13.4
310.12836	0.8
311.13931	2.3
317.09283	1.0
319.10797	6.0
321.12494	1.5
323.10284	1.9
323.13986	4.3
324.11166	0.6
325.11859	4.1
327.13574	1.0
328.14523	1.1
335.10214	5.5
336.11020	2.9
337.11844	33.7
338.12384	1.2
339.13553	1.6
340.14682	0.9
341.15219	0.8
342.16122	2.0
344.17603	0.6
349.11768	0.6
354.12067	0.9
354.16037	1.1
355.12872	11.5
356.13779	2.6
356.17694	1.1
357.14459	22.9
358.15100	1.2
367.12936	12.9
368.13831	3.5
369.14429	16.9
370.15231	3.3
371.16159	1.3
372.17068	1.1
375.19525	0.6
382.15594	1.4
384.17068	0.9
386.18890	0.8
398.18936	0.7
399.16452	0.7
402.18246	1.5
403.18976	4.8
414.18475	0.9
430.17548	0.9
432.19174	1.3
442.17722	1.3
444.19421	1.6
446.16669	1.0
447.18103	1.0
458.17288	0.9
460.18945	2.0
462.20233	0.7
470.17075	0.7
474.20581	0.7
476.22385	1.1
478.19891	3.0
488.18277	3.0
489.18869	1.0
490.19754	11.0
492.21466	1.8
494.22748	1.0
502.19965	1.8
503.20502	0.8
504.21255	2.1
520.20813	42.4
521.21405	8.6
522.22369	100.0
523.22668	5.0
583.14581	0.6
593.23401	1.1
611.24786	2.0
625.26593	2.6
643.27539	5.2
644.27679	0.6
650.23584	1.1
652.24908	2.2
682.25818	5.1
683.26404	3.3
684.27557	14.1
685.28180	0.7
745.89374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
61.02924	1.0
65.03929	0.2
68.99777	0.5
69.03434	2.7
69.16961	0.1
69.89801	0.3
69.90211	0.6
71.04950	0.4
73.02872	0.5
81.03416	1.4
85.02906	10.8
86.03197	0.2
87.04416	0.2
91.03924	0.3
93.03388	0.1
95.05010	0.2
97.02302	0.2
97.02893	3.3
99.04424	0.4
109.02870	1.1
111.00803	0.9
121.02892	0.7
122.02736	0.9
123.04390	0.3
125.05978	0.2
127.03917	2.2
137.01366	0.2
137.02345	2.9
137.03343	0.2
138.85594	0.2
145.04973	2.0
149.02335	0.3
153.01836	3.1
153.05482	0.6
154.05736	0.3
163.03870	0.5
163.06007	0.3
165.01825	1.8
166.02646	0.3
173.05957	0.3
183.02910	0.8
187.03896	0.3
195.02899	0.3
195.06520	0.7
196.06853	0.3
201.05481	1.5
205.04848	0.3
213.05533	0.2
219.06561	0.3
229.04961	3.8
239.03375	0.2
247.06073	0.7
257.04465	3.0
274.04727	0.6
275.05453	0.2
284.07932	0.2
285.03925	1.3
303.04980	100.0
304.05331	2.4
317.06555	0.2
336.15854	0.1
345.05878	0.4
447.96872	0.2
465.10217	0.2
479.08209	27.9
480.08344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.1
57.03436	0.9
57.82037	0.2
61.02691	0.1
61.02925	1.1
65.03918	0.2
66.73609	0.1
69.03432	3.2
70.06576	0.4
71.05006	0.3
71.55162	0.2
72.08134	0.2
73.02908	0.4
75.47264	0.1
78.69828	0.1
79.43783	0.1
81.03418	1.5
83.01353	0.2
84.04479	0.2
84.08123	0.2
85.02908	14.8
86.09676	0.3
87.04487	0.2
91.03956	0.4
92.02634	0.3
93.03408	0.4
97.02898	4.3
99.04453	0.4
109.02872	1.4
115.03905	0.1
117.05491	0.1
120.08099	0.2
121.02863	0.6
126.03127	0.2
127.03925	2.8
136.07556	0.1
137.02313	0.2
137.05986	0.1
139.03899	0.7
145.04968	2.9
151.03870	0.7
153.01828	4.6
163.03857	0.2
163.06013	0.3
165.01849	0.5
177.05463	0.4
197.47527	0.2
201.05533	0.4
203.03358	0.3
209.44600	0.2
217.05019	0.3
218.05756	0.3
219.02815	0.2
228.04144	0.9
229.04950	2.3
245.04517	0.6
246.05252	1.1
257.04425	1.9
260.03232	0.3
261.07535	0.2
273.03989	1.3
274.04709	3.7
277.27524	0.1
284.03271	0.3
285.03937	3.5
286.04636	0.2
287.05551	0.4
288.06055	0.2
300.06342	0.2
302.04227	10.9
303.04901	1.6
317.06555	100.0
318.06940	2.0
359.07642	0.4
479.11911	12.7
480.12155	0.6
634.07379	0.2
774.09943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.1879
Annotation	Quercetin 3-sophoroside-7-glucuronide
Peak:m/z	Relative Intensity
57.03443	1.4
57.63610	0.1
58.43431	0.1
59.04996	0.3
61.02931	1.8
65.03933	0.2
68.99805	0.4
69.03436	5.3
69.03815	0.3
71.01373	0.2
71.04996	0.4
73.02917	0.8
81.03424	2.2
83.01353	0.1
85.02911	15.4
87.04466	0.9
87.20929	0.1
89.10653	0.1
89.14407	0.1
91.03973	0.6
93.03413	0.2
95.04963	0.1
97.02901	4.6
98.21507	0.3
99.04465	0.7
101.02377	0.1
102.77802	0.1
103.03968	0.3
109.02214	0.2
109.02896	1.7
111.00800	0.8
115.03925	0.2
121.02872	1.0
123.04442	0.1
127.03931	3.6
135.04419	0.2
137.02351	2.7
137.03369	0.1
145.04959	2.2
149.02342	0.4
152.65941	0.1
153.01831	3.5
158.07721	0.1
161.06012	0.2
163.03946	0.5
163.06007	0.2
165.01849	1.9
166.02562	0.2
173.06068	0.3
183.02901	0.8
183.04385	0.2
187.03909	0.3
191.03430	0.2
191.07137	0.1
195.03009	0.1
201.05476	1.3
205.05016	0.2
207.02803	0.1
217.05005	0.2
219.06523	0.2
228.04272	0.2
229.04964	3.5
230.05447	0.1
245.04515	0.2
246.05383	0.1
247.05969	0.8
257.04477	2.9
273.03973	0.2
274.04688	0.9
275.05612	0.3
279.09222	0.1
285.03928	1.3
286.04651	0.2
287.05554	0.2
301.03250	0.2
302.04178	0.9
303.05005	100.0
304.05371	2.0
313.03397	0.1
317.06647	0.7
327.04993	0.5
345.06061	1.4
386.37827	0.1
465.10345	5.9
466.10562	0.3
479.08237	19.0
480.08627	0.7
641.13531	9.4
642.13531	0.4
672.69629	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	803.1883
Annotation	Quercetin 3-sophoroside-7-glucuronide
Peak:m/z	Relative Intensity
57.03424	0.6
61.02913	0.6
66.68095	0.1
68.99820	0.3
69.03123	0.2
69.03435	1.7
70.80386	0.4
71.04977	0.2
71.99435	0.1
73.02944	0.3
81.03433	0.9
85.02913	6.0
85.03437	0.3
87.04465	0.2
91.03938	0.3
91.26305	0.1
93.03402	0.2
96.06485	0.1
97.02907	1.9
99.04481	0.1
109.02871	0.8
111.00800	0.7
113.15704	0.1
121.02872	0.9
127.03938	1.5
136.14575	0.1
137.02347	2.6
137.03400	0.2
137.05965	0.2
145.04976	1.2
149.02367	0.3
153.01839	2.7
163.03900	0.6
163.05995	0.2
165.01859	1.6
166.02623	0.3
173.06026	0.2
177.52951	0.1
183.02957	0.7
183.04358	0.2
187.03912	0.3
191.03386	0.2
195.02859	0.2
201.05492	1.2
211.03828	0.2
213.05467	0.3
219.02991	0.2
219.06483	0.2
229.04977	3.6
247.06049	0.6
257.04492	2.5
271.60526	0.1
274.04794	0.5
275.05423	0.3
285.04025	1.3
302.04062	0.1
303.05005	100.0
304.05350	2.4
306.27557	0.1
317.06595	0.4
345.05765	0.3
465.10315	8.0
466.10568	0.3
479.08218	16.5
480.08481	0.7
489.97693	0.1
641.13531	8.6
642.14148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
61.02934	1.6
65.03943	0.2
65.19041	0.2
68.99773	0.5
69.03437	3.7
71.04957	0.3
72.46354	0.1
73.02891	0.7
73.84763	0.2
79.69080	0.1
81.03431	1.7
82.90271	0.1
85.02911	15.4
86.03214	0.1
87.04456	0.2
91.03938	0.5
93.03357	0.2
93.93047	0.1
97.02907	4.5
98.21441	0.4
99.04454	0.7
103.91498	0.1
109.02875	1.7
111.00796	1.1
121.02884	0.8
123.04451	0.2
125.18936	0.1
127.03929	3.4
137.02335	2.8
145.04990	3.3
149.02342	0.4
153.00735	0.2
153.01848	3.2
163.03876	0.7
163.06021	0.6
165.01843	1.7
166.02617	0.3
173.05936	0.3
179.03365	0.2
183.02928	0.8
201.05479	1.1
205.04964	0.2
215.03432	0.2
219.06555	0.2
229.04948	3.2
229.07011	0.3
247.06024	0.7
257.04465	2.9
267.45084	0.2
274.04645	0.8
275.05573	0.2
285.04010	1.5
303.05002	100.0
304.05316	2.4
306.96506	0.2
317.06656	0.7
396.39203	0.2
445.57150	0.2
479.08231	25.8
480.08572	0.9
489.71979	0.2
556.18512	0.2
634.58173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82521	0.9
57.03452	2.0
61.02930	6.6
67.05510	5.7
69.03436	3.4
69.07079	2.2
71.04977	0.9
71.08434	1.7
73.02926	4.4
79.05504	2.7
81.03438	1.7
81.07073	6.3
83.08649	1.7
85.02912	6.6
91.03989	3.1
91.05510	1.3
93.07050	3.2
95.08629	4.9
95.73593	0.9
95.92553	0.9
97.02930	5.7
99.04532	1.1
101.02411	1.3
105.07053	1.2
107.08640	2.0
109.02888	1.4
109.10175	2.0
121.10209	1.8
127.03936	1.2
147.11841	1.0
166.64908	0.9
184.07397	0.9
227.80435	1.0
243.08554	1.4
494.61343	1.2
519.29352	4.7
521.30933	6.5
799.53363	100.0
800.53894	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.22895	0.4
61.02935	6.9
67.05516	6.4
69.03437	4.6
69.07088	1.7
71.01364	0.6
71.04986	0.4
71.52412	0.7
73.02927	4.5
75.04526	0.5
79.05489	4.2
81.03419	2.3
81.07069	5.6
83.08649	0.6
85.02910	6.0
87.04482	0.6
91.03963	4.2
91.05504	2.6
93.07050	4.4
95.04977	0.4
95.08611	4.7
97.02901	5.6
97.06530	0.4
99.04479	1.2
99.17176	0.4
101.02406	1.4
105.07055	1.5
107.08603	2.4
109.02869	0.5
109.10188	1.5
117.07082	0.5
119.08618	1.5
121.10159	2.3
123.11724	0.5
127.03977	1.2
131.08623	0.9
133.10146	0.6
135.11687	1.2
140.65672	0.4
145.10197	0.5
147.11694	0.5
179.87463	0.4
185.04379	0.5
243.08456	1.8
260.70581	0.4
335.26050	0.7
519.29315	14.0
519.37012	0.8
642.62720	0.6
797.51788	100.0
798.52179	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	794.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87934	1.1
57.03445	15.5
57.07081	6.9
61.02921	3.2
65.03938	4.7
67.05511	96.1
69.03424	2.0
69.07076	33.8
71.04991	2.9
71.08636	3.1
71.17265	1.0
71.18507	1.0
71.26541	2.9
71.26906	1.6
79.05501	46.6
79.05962	2.5
81.07064	100.0
83.04975	1.2
83.08626	17.6
85.02899	3.1
85.06545	2.7
87.04474	3.2
91.05484	28.4
93.07053	52.5
95.04971	5.2
95.08614	65.9
96.08959	1.2
97.02884	1.4
97.06534	4.3
97.10175	8.2
99.08099	3.3
105.07038	20.0
107.08611	26.0
109.06550	1.4
109.10165	30.1
111.08084	3.4
111.11687	1.3
117.07012	6.0
119.08604	19.7
121.10160	25.5
123.11696	13.0
125.09628	2.3
128.75069	1.2
131.08565	8.6
133.10123	16.0
135.08099	1.3
135.11711	15.4
137.09703	1.3
137.13240	4.2
139.11200	1.5
145.10133	9.4
147.11693	10.4
149.13284	9.5
151.14818	2.3
157.10168	3.2
159.11671	8.0
161.13283	8.7
163.14799	6.5
165.16367	1.2
168.45667	1.3
171.11717	2.6
173.13275	6.0
175.14841	4.0
177.16425	2.8
187.14819	4.6
189.16403	1.8
201.16399	1.4
241.19710	1.9
243.21100	6.5
245.22688	2.7
259.20645	4.7
261.22150	17.9
263.23798	5.5
317.24695	4.5
317.27994	1.6
333.24237	4.2
335.25833	66.7
336.26111	2.8
337.27399	73.2
338.27802	2.9
339.28928	5.2
523.44861	3.3
541.45911	1.5
597.48816	25.4
615.49817	19.0
673.57959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.4
57.07066	5.6
67.05510	97.5
68.86124	5.5
69.03432	15.4
69.07073	21.1
71.05006	6.9
71.46407	7.1
71.46740	8.5
79.05490	86.1
80.97238	5.6
81.03426	14.3
81.07062	100.0
83.08620	11.9
91.05475	49.1
93.07057	88.4
95.04966	9.1
95.08610	67.7
97.02921	7.5
105.07042	48.1
107.04951	7.9
107.08614	41.3
109.10176	44.8
109.54313	5.4
117.07038	26.1
119.08604	43.1
121.10155	48.6
123.11757	14.0
130.66078	5.6
131.08578	35.9
133.10184	28.2
135.11720	37.8
137.13268	7.7
141.06969	6.2
143.08536	10.8
145.10127	20.9
147.11732	16.1
149.01488	5.8
149.13312	26.5
157.10023	7.9
159.11694	23.0
161.13269	21.6
163.14836	17.2
165.12758	6.4
173.13261	20.1
175.14850	6.5
187.14978	12.1
233.22614	6.0
243.21175	23.2
259.20905	7.1
261.22171	72.7
274.75134	6.6
335.25769	11.5
353.26801	21.8
369.24362	7.8
387.25409	8.7
423.27664	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	792.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
55.05521	19.2
57.03434	6.4
57.07072	6.2
61.79152	1.5
65.03936	4.3
66.27019	1.6
67.05513	82.0
69.03439	10.3
69.07081	21.4
71.04990	3.5
79.05501	64.7
79.05967	3.1
81.03437	9.0
81.07063	100.0
83.04977	5.1
83.08626	6.5
84.08146	2.0
85.02914	8.1
85.06554	2.3
91.04967	3.6
91.05489	41.3
93.07052	76.9
95.04979	7.5
95.08617	76.6
97.02915	6.7
97.06528	3.3
97.10179	5.2
99.04446	3.4
99.08101	1.8
102.02288	1.6
103.03967	2.1
105.07046	30.0
107.04977	3.7
107.08600	43.2
109.02863	2.7
109.06519	3.3
109.10180	36.2
111.04439	4.2
111.08085	4.7
113.09622	1.8
114.05827	1.5
117.07035	16.1
119.08602	30.2
121.06528	2.3
121.10157	42.0
123.08094	3.2
123.11730	12.8
125.09624	2.6
127.03927	4.3
128.06252	2.1
129.07001	4.8
130.07750	2.0
130.08664	2.6
130.15947	1.9
131.08583	32.2
133.10146	21.4
134.31165	1.5
135.11702	32.8
137.09613	2.9
137.13319	3.7
143.08580	6.5
145.10115	23.4
147.11737	13.2
147.12726	2.6
149.09656	2.1
149.13280	21.0
155.08517	2.1
157.10168	5.1
159.08115	1.6
159.11714	19.1
161.09619	1.7
161.13268	16.3
163.14833	10.1
165.12822	1.9
169.10196	3.5
171.11661	5.9
173.13264	17.9
175.14821	4.5
177.12680	1.9
177.16371	3.1
183.11708	2.0
185.13347	3.5
187.14813	8.3
189.16368	1.7
191.14294	2.2
201.16408	3.2
205.15887	2.8
219.17459	2.2
241.19402	2.4
243.21066	22.6
259.20609	3.3
261.22165	76.3
271.17337	1.7
275.13217	2.4
275.16306	2.0
277.21567	4.1
279.23187	2.9
289.21579	1.9
291.23172	3.6
303.23175	4.5
315.23083	2.7
317.24890	2.0
327.23111	3.4
335.25949	19.4
341.24783	2.0
345.24182	2.1
351.23236	3.4
353.26932	16.9
369.24255	7.7
387.25345	6.0
405.26312	7.7
423.27252	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	789.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.6
55.05512	16.0
55.07458	2.2
57.03434	13.9
59.05003	3.1
65.03967	2.7
67.05505	54.9
68.67735	2.4
69.07064	17.9
69.71732	2.6
71.04997	3.2
71.55025	3.4
79.05495	49.2
81.03442	4.8
81.07056	58.9
83.04984	4.8
83.08609	5.5
85.06569	2.9
91.05482	48.3
91.06016	3.9
93.07045	51.8
95.01321	2.9
95.04967	7.5
95.08604	41.8
97.06526	8.1
97.10143	2.9
105.07029	49.9
107.04948	9.4
107.08587	24.4
109.06529	6.6
109.10153	13.8
117.07044	14.5
117.07722	2.6
119.08580	31.4
120.12221	2.3
121.06547	3.8
121.10143	21.9
123.08110	3.9
123.11710	3.3
127.60951	2.4
129.06992	4.2
131.08563	22.0
133.10130	25.0
135.07997	5.3
135.11696	10.6
137.09639	3.7
145.10126	14.0
147.11697	10.0
149.09633	5.7
149.13342	2.6
157.10172	3.9
158.89899	2.4
159.11720	10.1
161.13174	3.2
173.13239	5.1
179.14328	2.5
214.20930	2.4
219.17441	71.4
222.86508	2.3
248.16112	2.5
267.61478	2.4
275.20078	48.2
293.21307	3.4
309.20502	2.2
335.25790	91.2
336.26215	3.4
349.23798	24.6
609.45087	100.0
610.45319	4.8
684.23016	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05516	16.7
57.03441	10.8
57.07070	2.0
61.02918	2.9
65.03925	2.8
67.05509	58.6
69.03416	1.0
69.06718	1.3
69.07070	14.0
69.87969	4.2
71.04995	1.5
77.03925	0.8
79.05499	37.6
81.03362	1.1
81.07063	57.2
81.09532	0.7
82.07378	0.8
83.04965	1.1
83.08611	7.3
85.02904	3.0
85.06556	2.1
91.03954	1.4
91.05487	23.1
92.54369	0.9
93.07051	42.6
95.04993	4.7
95.08613	46.2
97.02905	0.8
97.06534	1.6
97.10161	2.8
98.20988	2.1
98.21569	1.4
99.08079	1.1
99.33401	0.7
105.04523	0.9
105.06394	1.2
105.07042	18.0
107.08601	21.3
109.09465	1.4
109.10162	21.1
111.08071	1.4
117.07019	7.3
119.08587	16.0
121.09303	1.6
121.10151	18.1
123.08079	0.8
123.11717	7.8
129.07004	1.3
131.08575	12.5
133.10143	12.7
135.08107	0.8
135.11700	12.3
137.13239	2.7
139.11153	1.2
143.08522	1.7
145.10127	8.7
147.11703	8.3
149.13310	7.0
157.10155	1.6
159.11714	9.1
161.13264	8.1
163.14818	4.4
171.11676	1.8
173.13260	6.4
175.14838	4.0
177.16449	2.3
179.14226	1.1
185.13278	1.9
187.14886	4.0
197.13286	0.8
199.14882	1.8
201.16359	2.0
205.19295	0.8
215.18033	1.0
231.21162	1.2
233.22490	0.9
241.19484	2.3
243.21117	4.9
259.20587	7.1
261.22153	15.9
277.21463	1.2
317.24692	3.2
333.24344	4.2
335.25806	100.0
336.26175	2.9
337.27417	9.2
341.28537	0.9
449.32523	0.9
503.42899	1.0
521.43591	2.2
527.74799	0.9
539.44257	1.3
595.47278	12.9
613.12634	0.8
613.48096	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	789.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
56.49770	0.7
59.87435	0.6
65.03929	0.6
67.05502	2.8
69.03426	1.8
69.07061	0.7
69.44000	1.9
69.44428	3.1
70.06604	6.2
72.08142	0.7
73.02934	0.7
79.05507	1.8
80.05016	1.0
81.03426	2.9
81.07072	1.0
82.06585	0.8
84.04528	0.7
84.08157	1.2
85.02901	1.9
85.90125	0.6
86.09716	2.3
91.05478	1.7
93.05781	1.4
93.07037	1.6
94.06564	5.5
95.04967	0.8
95.07363	1.5
96.08144	5.3
97.02897	1.4
97.06554	0.9
98.21603	0.7
103.05481	0.7
106.06536	1.1
107.07346	1.4
108.04495	1.1
108.08126	17.9
109.02884	1.9
110.09695	7.6
118.06528	0.7
120.04471	0.6
120.08115	9.2
121.06473	0.6
121.08830	0.7
122.06034	5.8
122.09679	5.2
124.07598	2.1
127.03945	1.9
129.10274	0.7
132.08151	1.2
134.06026	1.5
136.07581	15.0
138.09140	13.3
146.06055	1.9
148.07588	6.8
150.09140	8.0
152.07111	1.5
158.09808	0.7
160.03992	1.8
160.07610	1.8
164.07155	1.3
166.08644	14.1
168.10199	1.2
172.03960	1.5
172.07594	0.8
174.05534	0.9
174.09227	0.9
186.09114	0.7
190.05019	1.4
195.23528	0.7
197.10823	0.8
199.08736	1.5
202.08629	1.4
204.06624	1.4
209.10791	1.4
210.11496	0.9
211.08733	1.4
211.12350	2.2
212.09502	1.9
213.10307	5.0
213.13895	0.7
222.11435	1.1
223.08705	5.2
223.12267	3.9
224.09230	1.0
224.13019	1.0
225.10257	15.6
225.13844	2.0
226.10983	2.7
227.11829	7.3
232.09799	0.7
235.08727	1.2
235.12437	0.9
236.09500	1.9
236.13036	0.7
237.10229	11.5
237.13951	2.4
238.10928	7.2
239.08189	1.7
239.11809	18.2
239.14122	1.0
240.12558	5.2
241.09698	0.8
241.13461	2.1
249.10251	4.2
249.13940	0.8
250.10986	4.7
251.08192	4.4
251.11853	18.4
252.08775	0.8
252.12416	3.7
253.09811	8.6
253.13454	10.5
254.10468	1.5
254.14116	0.9
255.11371	2.0
255.14838	0.8
262.11191	0.8
263.08441	0.8
263.11865	5.1
264.08829	0.9
264.12747	2.0
265.09830	12.3
265.13443	12.0
265.15994	1.3
266.10583	5.6
266.13989	3.2
267.11310	8.1
267.14304	1.1
267.14893	1.0
268.12097	0.7
269.09744	1.0
269.12976	2.7
271.10880	2.1
274.11041	0.7
275.11942	0.9
277.09863	2.4
277.13504	1.9
278.10339	3.6
279.11304	13.1
280.12146	1.9
281.12869	8.6
283.10864	5.8
283.14447	1.7
284.11670	2.0
285.12338	23.9
286.13086	1.9
287.14032	1.5
291.11368	2.3
292.12198	1.1
293.12863	9.3
294.13580	1.8
295.10760	2.0
295.14487	2.5
296.11929	0.9
297.12357	8.6
298.13220	7.1
299.13943	8.2
300.14978	0.8
303.05005	1.2
307.10898	1.8
308.11313	1.1
309.12308	4.2
310.12811	1.3
311.13864	8.3
312.14691	1.3
313.15536	2.8
315.13492	0.7
315.17151	0.8
316.14651	1.7
319.10809	0.9
321.12473	2.5
325.11926	2.8
325.15485	1.4
327.13397	6.4
328.14417	1.2
330.16113	2.0
339.13336	3.8
340.14481	1.7
341.15088	3.5
342.16037	1.1
344.14163	1.5
344.17844	1.2
353.15158	1.4
355.17053	0.8
357.14645	3.1
358.15579	2.1
359.16110	2.6
360.17007	1.1
367.16858	0.7
369.14807	1.5
370.15289	1.1
371.16296	2.0
372.17032	1.9
374.18811	1.6
376.16605	0.9
383.16296	1.4
384.17087	0.9
386.18970	0.9
388.16568	0.8
390.18100	2.6
395.16119	0.8
399.15305	0.9
401.17191	0.8
404.20468	0.8
409.17743	1.0
411.15497	1.4
412.16794	0.8
413.17239	1.4
414.18185	1.0
416.15659	0.9
418.17651	2.4
422.20959	1.5
423.15497	1.1
425.17010	1.9
427.18787	7.3
428.20038	1.0
429.16531	1.6
430.17694	1.0
432.19202	1.8
437.17053	1.5
441.16544	1.0
443.18231	1.8
444.19025	0.9
446.21011	1.7
450.20068	3.9
451.20898	0.9
453.16849	2.0
455.18344	1.9
462.20471	1.1
464.22516	1.3
465.16867	1.6
469.16116	1.9
471.17511	3.9
472.18900	0.8
473.19028	0.8
474.20401	1.2
483.17459	1.7
501.19202	1.1
503.20596	1.1
505.22345	0.8
506.22739	0.9
522.22467	0.8
524.24292	0.8
556.22107	0.7
574.24268	1.0
576.23865	0.9
590.24213	1.9
592.26843	4.1
594.24854	1.3
600.23315	1.3
606.24402	2.2
607.25244	0.8
608.25824	3.5
618.24377	2.1
634.23785	2.3
635.24701	15.1
636.25513	49.1
637.25940	2.8
650.26965	1.1
653.25635	6.8
654.25757	0.8
666.26733	1.9
667.27399	100.0
668.28094	36.2
668.39844	1.2
669.28833	2.4
695.30280	1.0
729.31201	1.0
739.29553	1.5
757.30695	7.1
789.33466	1.7
790.16772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
55.05494	1.1
59.12974	1.0
67.05493	2.3
69.03419	2.2
69.93896	1.6
69.94289	3.2
70.06605	13.8
72.08150	1.6
73.02924	1.7
79.05505	3.1
80.05046	1.0
81.03429	5.1
81.07047	1.5
82.06589	1.2
84.04494	3.4
84.08149	2.7
85.02898	4.6
86.09702	4.0
91.05481	2.7
93.05788	3.5
93.07033	5.3
94.06569	10.4
95.04976	2.8
95.07349	3.5
96.08139	11.2
97.02878	2.8
98.20780	1.1
103.05498	1.1
106.06568	2.7
107.07361	3.4
108.04491	3.3
108.08126	33.0
109.02904	3.0
109.06491	0.9
110.09679	17.3
116.05315	1.8
120.04465	2.1
120.08109	21.7
121.06451	1.3
122.06053	8.8
122.09680	8.3
124.07594	3.0
127.03914	2.2
128.70461	0.9
129.10268	1.1
132.06552	1.0
132.08084	2.3
134.05995	2.3
134.09711	1.9
136.07587	25.7
138.09149	22.1
138.10201	1.2
144.08105	2.1
146.06013	2.4
146.09578	1.2
148.07596	11.1
150.09140	13.9
151.40582	0.9
152.07079	3.9
158.09503	1.1
160.03952	2.4
160.07584	4.2
162.09207	1.1
164.07069	2.4
164.84007	0.9
166.08655	24.5
168.10248	1.4
170.08136	1.6
172.04092	1.7
172.07578	1.2
174.05534	1.4
177.05402	1.3
178.08615	1.1
188.07057	1.6
190.05008	2.7
196.09796	1.1
197.10762	3.1
199.08672	4.0
200.06998	1.8
200.09383	1.1
204.06615	2.5
206.11588	1.2
209.10774	1.6
210.11482	2.2
211.08745	2.5
211.12265	5.7
212.09355	1.7
213.10294	5.3
214.10785	1.2
219.07869	1.2
221.10872	1.1
222.11494	2.3
223.08664	6.4
223.12247	6.4
224.09383	1.8
224.12881	1.0
225.10237	21.7
225.13947	3.4
226.10942	6.6
227.11816	10.6
228.12408	1.3
229.13521	1.5
234.11331	2.2
235.08658	2.5
235.12369	2.2
236.09428	3.2
237.10231	17.2
237.13853	3.0
238.10962	11.8
239.08095	2.3
239.11815	26.0
240.12526	6.9
241.09618	1.2
241.13423	3.5
249.10262	9.0
249.13976	1.8
250.10963	6.4
251.08235	8.0
251.11826	34.6
252.12505	7.5
253.09770	12.7
253.13376	15.6
254.10541	1.6
254.14261	1.8
255.11346	2.2
262.10983	1.3
263.08105	1.3
263.09100	1.3
263.11832	10.7
264.08929	4.8
264.12350	5.5
265.09744	19.8
265.13373	20.3
266.10513	9.5
266.14124	5.6
267.11288	13.5
267.14630	2.0
268.12051	3.2
269.12796	3.0
271.10782	3.9
271.14374	1.0
273.12241	2.0
275.11816	2.6
277.09845	4.7
277.13354	4.2
278.10522	6.3
279.11307	27.4
279.14432	1.5
280.12009	3.6
281.09680	1.6
281.12823	13.7
282.13580	1.8
283.10822	7.2
283.14169	2.0
284.11835	2.2
285.12326	24.4
286.13013	2.8
287.13922	2.9
291.11374	7.3
292.11917	2.2
293.12845	18.9
294.13522	3.0
295.11066	1.9
295.14517	3.7
296.11353	1.5
297.12332	12.6
298.13184	7.0
299.13895	11.1
300.14960	1.1
303.04962	1.1
305.12747	1.4
307.10803	4.5
307.14142	2.1
309.12213	6.1
310.13162	1.4
311.13870	13.6
312.14493	2.6
313.15509	3.4
316.14630	2.3
318.16391	1.2
319.10892	2.3
321.12341	7.3
323.14008	1.4
325.12030	4.7
325.15341	1.8
327.13422	10.1
328.14349	2.1
329.15283	2.3
330.16058	3.3
332.17722	1.5
337.11893	2.4
337.15503	1.3
338.12561	1.7
339.13409	8.0
340.14200	1.4
341.14984	4.0
342.12082	1.2
342.15997	2.2
344.17615	2.5
348.12106	1.2
351.13348	2.0
353.14893	3.5
355.13058	1.4
356.13953	3.5
356.17795	1.7
357.14688	3.3
358.15472	4.8
359.15945	3.0
360.17072	1.7
363.13376	1.2
368.13718	1.7
369.14743	2.8
370.15698	2.8
371.16089	3.1
372.17035	3.4
374.18823	1.6
376.16498	1.6
381.14343	3.3
383.16000	2.1
384.17181	1.8
386.18671	3.3
388.20471	1.2
390.17932	2.0
395.16177	1.4
400.16251	1.7
402.18161	2.2
404.19839	2.0
411.15656	3.1
412.16095	2.0
413.17154	2.1
414.17996	2.6
415.18579	1.3
418.17380	2.6
423.15402	1.6
425.17001	4.5
426.17853	1.1
427.18729	11.8
428.19989	1.6
429.16714	2.4
430.17126	1.3
431.18237	1.8
432.18787	1.7
435.15182	1.2
437.17230	1.4
441.16599	2.5
443.18179	3.8
444.19318	1.4
446.20914	3.1
448.23035	1.2
450.20261	4.0
451.21143	1.3
453.16537	4.2
455.18246	5.8
464.22012	2.3
465.16638	2.5
469.15796	2.4
471.17728	9.6
474.20187	3.7
481.16013	1.3
482.16928	1.5
483.17480	3.7
484.18250	2.3
485.19107	1.6
486.19955	1.4
504.20642	1.5
517.73743	1.1
548.23871	2.0
560.23425	1.2
564.23639	1.4
574.25116	2.8
588.23029	1.9
590.24548	2.3
591.25299	1.8
592.26746	9.0
593.23798	3.6
594.24872	4.6
600.23035	1.8
604.22424	1.9
606.24341	5.7
607.24591	2.0
608.26093	7.9
617.23828	1.4
618.24841	9.1
620.22351	2.4
624.25696	1.6
632.26050	1.3
634.24091	7.2
635.24780	55.0
636.25531	100.0
637.25726	6.8
650.26123	1.8
653.25842	32.0
654.25763	2.7
666.26398	2.7
667.27417	89.4
668.28076	34.2
669.28101	1.6
695.30353	1.8
705.73242	1.1
721.28473	2.2
729.31049	1.7
739.29187	3.8
757.30591	16.5
758.30902	1.8
789.32861	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	789.2093
Annotation	Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01841	0.5
57.03407	0.6
61.02936	1.2
65.03934	0.2
68.99765	0.3
69.03438	3.3
69.48718	0.3
69.49136	1.0
70.06555	0.5
71.05004	0.4
72.08142	0.3
73.02869	0.4
81.03426	1.2
83.01311	0.2
84.08122	0.2
85.02913	13.2
86.09691	0.2
87.04440	0.3
91.03934	0.5
93.03397	0.3
95.04945	0.2
97.02901	3.9
99.04411	0.5
103.03893	0.2
109.02883	1.5
111.00762	0.6
115.03909	0.2
121.02908	0.9
123.04420	0.2
127.03932	3.4
131.04837	0.2
136.42677	0.1
137.01355	0.2
137.02342	2.4
137.03313	0.3
145.03902	0.2
145.04967	3.6
149.02339	0.3
153.01828	3.0
155.04926	0.2
161.06088	0.2
163.03873	0.5
163.06049	0.8
163.07182	0.2
165.01865	1.8
166.02585	0.2
167.56438	0.2
173.05934	0.2
183.02867	0.6
183.04268	0.2
187.03911	0.3
195.02969	0.2
201.05553	1.3
207.00212	0.2
219.03018	0.2
228.04008	0.2
229.04973	3.4
230.70702	0.2
247.06137	0.8
257.04471	2.6
274.04742	0.6
275.05359	0.2
285.03973	1.1
287.05496	0.6
288.05997	0.5
289.06070	0.4
303.05011	100.0
304.05307	2.6
313.07056	0.6
314.07455	0.7
315.05328	0.2
327.05356	0.2
345.06046	1.0
369.06119	0.2
423.74576	0.2
429.08005	0.1
447.08945	0.2
465.10333	20.4
466.10852	0.8
507.11526	0.3
748.29852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
57.03408	0.7
57.52354	0.1
61.02934	0.7
68.99768	0.4
69.03437	2.2
70.72837	0.4
71.04959	0.3
73.02887	0.4
81.03426	1.0
85.02914	7.7
87.04443	0.2
91.03963	0.2
94.09644	0.2
97.02904	2.4
99.04414	0.4
101.02361	0.2
105.03374	0.2
106.40712	0.1
107.04897	0.2
109.02895	0.9
111.00805	0.7
121.02876	2.3
127.03925	1.5
133.02838	0.4
135.04402	0.2
137.02325	0.7
145.04997	1.4
147.04405	0.4
153.01842	2.7
163.06105	0.2
165.01848	1.4
172.59091	0.1
183.02866	0.7
185.05988	0.2
197.06015	0.2
202.20401	0.1
213.05537	1.1
231.06549	0.6
241.04892	0.9
243.06587	0.2
258.05331	1.0
259.06046	0.5
263.99643	0.2
287.05518	100.0
288.05841	2.6
311.05737	0.2
329.06689	0.4
374.51657	0.2
431.40692	0.2
449.10468	0.3
463.08752	20.4
464.09445	0.8
625.13696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2087
Annotation	Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01864	0.2
57.03441	0.7
58.55050	0.1
61.02926	0.7
68.99789	0.2
69.03433	1.8
70.06560	0.2
71.04976	0.2
73.02885	0.1
73.30380	0.1
81.03427	0.9
85.02908	6.5
86.03204	0.1
87.04466	0.3
91.03936	0.3
93.03363	0.2
95.04949	0.1
97.02901	1.9
97.43181	0.1
99.04456	0.2
107.04823	0.1
107.21291	0.1
109.02888	0.8
111.00797	0.9
121.02883	0.8
123.04417	0.1
127.03934	1.5
137.02345	2.6
137.03362	0.2
145.03935	0.1
145.04967	1.3
149.02382	0.5
153.01831	2.7
161.05974	0.3
163.03925	0.6
163.05998	0.3
165.01840	1.8
166.02548	0.3
173.05975	0.2
177.05460	0.1
183.02895	0.7
183.04378	0.2
187.03880	0.1
191.03471	0.2
195.02908	0.1
201.05498	1.1
205.04903	0.2
207.02757	0.1
213.05473	0.1
219.02846	0.2
219.06606	0.2
229.04956	2.7
234.98999	0.2
247.05988	0.7
256.68155	0.1
257.04474	2.7
267.11386	0.2
267.69171	0.1
274.04791	0.7
275.05414	0.2
276.99802	0.1
285.03961	1.2
286.04645	0.1
287.05542	0.8
288.05865	0.5
289.06061	0.4
302.04263	0.1
303.04993	100.0
304.05341	2.4
315.04892	0.1
345.05994	0.4
447.09714	0.1
465.10303	25.3
466.10538	0.8
507.10773	0.1
627.15564	5.0
628.16327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
57.03407	0.7
58.85762	0.1
61.02939	1.2
61.88528	0.2
68.99780	0.5
69.03435	2.7
70.10065	0.3
70.10456	0.3
71.01328	0.2
71.04977	0.3
73.02889	0.4
81.03059	0.1
81.03422	1.1
81.54205	0.2
85.02909	12.2
90.61602	0.2
91.03949	0.4
97.02898	3.0
98.20868	0.2
99.04424	0.6
103.56346	0.1
105.03374	0.3
107.04925	0.3
109.02241	0.2
109.02869	1.2
111.00777	0.6
121.02877	1.9
127.03925	2.5
133.02834	0.4
137.02304	0.4
145.04964	2.8
147.04372	0.5
150.11435	0.1
153.01828	2.5
163.05991	0.4
165.01871	1.6
183.02901	0.9
185.05933	0.3
189.05466	0.2
208.07614	0.2
213.05469	1.1
231.06554	0.5
241.05022	0.6
258.05176	0.9
259.06024	0.4
282.36984	0.2
286.04623	0.2
287.05508	100.0
288.05872	2.4
333.54935	0.1
460.68839	0.2
463.08731	22.7
464.09222	0.8
801.49896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21417	0.8
69.32751	4.8
69.33168	3.2
86.09722	3.2
95.59747	0.9
99.59280	0.8
125.00014	2.1
150.75653	1.0
184.07341	7.8
262.37479	0.9
519.38678	1.0
556.89282	1.1
589.16046	1.1
715.96246	1.2
779.43408	100.0
780.43439	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	787.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.4
57.03442	1.0
61.02929	1.4
67.01849	0.1
68.99785	0.4
69.03434	3.4
70.06590	0.2
71.05004	0.2
73.02928	0.5
79.05463	0.2
81.03430	1.7
83.01315	0.2
84.08153	0.2
85.02912	13.6
87.04441	0.2
89.73449	0.1
91.03971	0.5
97.02906	4.3
99.04444	0.6
105.03374	0.3
107.04939	0.2
109.02897	1.4
111.00799	0.5
117.35323	0.1
117.36233	0.1
121.02884	2.1
121.03825	0.1
122.55675	0.1
127.03927	2.8
127.36286	0.1
131.15829	0.1
133.02817	0.4
137.02316	0.6
145.03906	0.2
145.04977	2.8
145.06245	0.2
145.06544	0.2
147.04385	0.4
153.01837	2.7
157.06477	0.3
161.02179	0.1
161.05968	0.2
163.05989	0.4
165.01843	1.4
183.02887	0.9
185.06030	0.4
191.03493	0.1
197.06010	0.2
199.29741	0.1
203.03302	0.1
203.07063	0.1
213.05467	1.3
229.05147	0.2
231.06509	0.8
241.05005	0.8
258.05246	0.8
259.06061	0.5
286.04581	0.1
287.05515	100.0
288.05850	2.2
288.10785	0.1
329.06525	0.3
463.08740	23.2
464.08994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.0
56.05024	3.0
57.03444	6.2
57.07071	2.0
60.08171	5.7
61.02942	1.6
61.41338	0.9
65.03931	1.8
67.05514	31.6
69.07075	7.5
71.05006	1.2
71.07358	3.0
71.13850	1.6
79.05497	22.9
81.07066	33.8
83.05001	1.4
83.08614	3.8
86.09713	34.0
91.05485	12.6
93.06468	1.6
93.07050	24.7
95.04966	2.2
95.08617	25.9
95.10661	0.8
95.56492	0.8
97.02877	1.0
97.06548	1.6
97.10183	1.8
98.98460	2.2
100.71135	0.9
104.10727	2.0
105.04453	0.8
105.07046	11.8
106.95130	0.8
107.08604	15.4
109.10167	11.2
116.07085	1.2
117.07040	3.4
119.08586	6.8
119.46941	0.9
121.10165	11.9
123.08015	1.1
123.11712	3.8
124.99103	1.1
125.00018	21.6
131.08595	6.4
133.10138	7.9
135.11728	9.2
137.13257	1.0
139.11263	0.9
143.08582	1.2
145.09126	1.0
145.10150	4.8
147.11708	5.7
149.13269	4.1
157.10141	1.2
159.11746	5.1
161.13254	2.9
163.14784	1.4
173.13260	3.9
175.14822	1.4
184.07361	100.0
185.13261	1.0
187.14896	1.4
199.14755	1.1
227.18195	1.1
229.19513	2.1
241.19772	1.2
243.21082	2.8
247.20601	4.1
259.20618	1.5
261.22275	4.8
303.23074	1.3
317.24722	0.9
317.97769	0.8
319.22595	1.5
321.24246	26.9
323.25833	2.6
333.24142	1.5
335.25812	27.6
335.29868	1.5
336.26389	1.0
337.27066	2.4
337.78287	0.9
507.42044	1.4
581.45801	8.0
599.46820	5.0
635.48663	0.9
679.89227	1.0
778.53192	2.0
799.65790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	27.9
57.03446	20.0
57.07071	6.9
61.02925	12.1
65.03925	6.9
65.04835	3.2
67.05172	6.3
67.05509	93.0
69.03431	10.8
69.07067	33.5
70.04366	17.6
71.05030	6.6
71.08631	4.1
73.02934	7.4
79.05054	6.8
79.05499	81.3
81.03422	6.0
81.07060	100.0
83.04960	5.2
83.08622	16.5
85.02898	15.7
91.03973	6.6
91.05497	70.5
93.07053	93.5
95.04966	12.6
95.08611	83.5
97.02886	9.2
97.06502	6.2
97.10175	6.3
98.21386	6.7
105.06389	5.2
105.07040	69.9
107.08601	45.7
109.06490	6.3
109.10152	26.3
117.07003	30.9
119.08583	59.6
121.10167	36.6
123.08098	6.5
123.11717	11.8
126.62973	3.5
129.05531	4.8
129.07011	15.9
131.08580	34.0
133.10155	42.3
135.08064	4.1
135.11700	32.6
141.06911	4.0
142.07776	6.5
143.08589	19.8
145.10147	39.6
147.11697	41.6
149.13257	13.9
155.08556	5.3
157.10146	15.1
159.07990	4.3
159.11684	35.5
161.13275	30.9
166.09953	3.8
169.10103	9.2
171.11711	22.7
173.13286	15.7
175.14865	15.2
181.10143	7.2
183.11729	8.0
185.13245	15.9
187.14876	8.3
195.11830	4.3
197.13342	4.6
199.14839	14.8
209.13370	5.6
213.16302	4.3
231.21182	7.4
241.19615	23.8
257.19012	9.5
259.20602	49.9
261.22131	8.1
333.24194	35.2
335.25797	87.9
336.25937	4.4
519.41663	5.9
593.45398	10.5
609.44073	4.5
611.46625	85.7
701.47955	4.9
737.49548	8.7
773.51093	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	774.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.3
55.05519	17.6
57.03451	16.5
67.05511	67.2
69.07078	13.5
71.56171	3.3
79.05501	41.8
81.03426	84.0
81.07069	56.5
83.05014	4.3
83.08630	23.6
85.06519	3.5
91.05501	28.3
93.07040	46.0
95.04985	27.7
95.08620	45.7
97.06545	6.9
97.10187	10.1
105.07040	27.9
107.04991	7.7
107.08639	26.8
109.06503	6.7
109.10155	20.9
111.08093	9.3
115.05518	4.2
117.07039	10.5
119.08624	21.6
119.69634	3.4
121.06557	4.4
121.10173	17.2
123.08045	5.6
123.11707	6.4
123.79218	3.4
125.09622	4.2
129.07034	8.1
131.08582	22.6
133.06514	6.0
133.10127	19.0
135.11673	19.5
137.13222	3.7
142.17776	3.5
143.08559	3.7
145.10121	11.7
147.11713	12.7
149.09653	5.9
149.13319	7.2
157.10167	12.7
159.11684	8.0
161.13269	5.8
173.13231	8.6
175.11214	10.5
189.11253	3.7
193.12270	21.3
227.12827	7.2
243.21098	7.4
249.14980	5.2
261.22226	17.3
267.15933	100.0
301.25323	7.4
335.25827	97.0
453.33411	10.3
471.34842	6.4
527.37305	62.4
545.38373	54.8
569.38110	5.5
635.38531	5.2
766.87494	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.8
55.05514	34.1
57.03445	15.2
61.02927	14.1
65.03918	7.5
67.05510	99.3
69.03416	12.4
69.06779	2.5
69.07076	28.5
71.04997	5.3
71.32648	4.6
73.02914	6.8
79.05074	4.5
79.05500	83.6
81.03418	6.2
81.07064	100.0
83.04960	3.4
83.08617	18.8
85.02911	15.7
85.06535	4.5
91.03944	4.8
91.05485	76.7
93.07054	86.6
95.04971	11.1
95.08612	76.1
97.02865	12.0
97.06534	6.2
97.10162	7.2
99.04467	3.1
103.05463	2.6
105.07036	72.6
107.04906	2.4
107.08607	41.9
109.06515	6.6
109.10162	26.7
110.73442	3.0
111.04462	2.7
115.05453	7.1
115.13792	2.3
117.07034	30.0
119.08586	61.6
119.22575	2.3
121.10157	40.1
123.08060	3.8
123.11693	8.6
125.09650	2.5
128.06223	6.9
129.07019	18.8
130.07814	2.6
131.08574	45.5
133.10139	41.8
135.11710	27.3
141.06923	4.7
142.07796	4.3
143.08568	19.5
145.06375	3.8
145.10133	38.4
147.08009	3.0
147.11708	39.8
149.09647	5.4
149.13255	13.4
155.08548	9.7
157.10161	16.8
159.11722	38.5
161.13261	31.6
163.11209	3.3
163.14876	4.2
167.08572	4.0
168.09317	2.7
169.10115	10.3
171.11664	17.8
173.05608	2.4
173.13272	22.8
175.11214	2.6
175.14780	13.1
181.10144	4.7
183.11699	10.7
185.13277	18.9
187.11124	2.7
187.14801	10.1
197.13264	6.2
199.14857	15.7
201.16454	4.5
207.11766	2.9
209.13313	3.9
213.16321	4.5
215.17982	4.0
223.14951	3.8
225.16386	2.8
231.21078	5.6
241.19554	20.2
257.19019	7.3
259.20605	46.7
261.22189	7.7
271.35080	2.4
301.21570	6.0
315.23157	5.9
333.24231	32.1
335.25830	75.1
337.27405	3.6
367.22501	4.9
519.41949	6.5
593.45679	5.9
609.44818	4.4
611.46686	79.3
612.46240	5.5
623.46167	2.9
661.00641	3.3
701.47327	5.4
719.48621	3.4
737.50165	5.1
755.50317	5.7
773.50610	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	773.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01677	0.6
55.01917	2.3
55.05560	3.0
57.03487	6.0
61.02928	5.3
65.03973	0.7
67.05509	7.6
69.03432	21.0
69.07070	28.4
70.03823	0.7
70.06602	3.8
71.01396	0.8
71.05022	2.7
72.08196	1.4
73.02972	2.2
73.06554	4.1
79.05492	7.7
81.03426	10.2
81.07065	15.0
83.01382	0.6
83.05041	1.8
83.08671	1.4
84.04520	0.7
84.08212	1.6
85.02910	51.2
85.06612	0.9
86.09765	2.2
87.04478	3.4
91.04013	2.4
91.05483	11.0
93.07045	15.8
95.04979	3.2
95.08614	18.1
97.02895	19.5
97.06532	9.0
97.10201	0.9
98.21506	1.5
99.04457	3.6
99.08076	1.5
103.05559	1.0
105.07034	21.9
107.04989	2.7
107.08601	15.4
109.02892	5.6
109.06528	19.4
109.10160	8.6
111.08134	1.1
115.03948	0.6
115.07581	16.8
115.08352	1.1
117.03410	0.9
117.07024	4.5
119.05021	2.2
119.08591	14.1
120.08130	1.0
121.06535	3.5
121.10149	11.0
123.08071	3.2
123.11784	2.3
124.04045	1.4
125.06038	1.0
125.09673	1.2
127.03922	10.8
127.04770	0.6
127.11195	4.0
128.06296	2.3
129.07008	3.7
129.10304	1.2
130.07851	0.7
131.08572	11.3
133.06551	0.8
133.10138	10.2
133.11037	0.9
134.68701	0.7
135.08130	2.2
135.11697	5.2
137.05975	3.0
137.09654	1.5
139.07591	0.9
141.07037	2.2
142.07739	1.1
143.08559	15.3
145.02931	1.6
145.04962	6.4
145.10127	24.8
147.04407	13.2
147.05460	0.8
147.08105	1.2
147.11691	31.3
149.09692	1.8
149.13258	3.9
151.07584	1.4
151.11266	1.5
153.01961	0.8
153.07085	0.7
155.08539	7.6
156.09312	0.6
157.10146	12.0
159.08142	1.7
159.11697	14.5
161.09691	2.2
161.13255	8.9
163.04005	0.8
163.11240	2.1
163.14903	2.0
165.09164	0.8
167.08626	2.1
167.10680	12.6
168.09399	0.7
169.10143	9.4
169.12244	0.6
171.11694	8.0
173.09642	2.9
173.13251	7.2
175.11240	2.9
175.14900	2.3
177.05481	3.1
177.12790	0.8
179.08618	0.8
180.09380	0.9
181.10138	4.4
181.12296	1.2
182.10925	0.8
183.11678	7.2
183.12914	0.6
185.13268	9.5
185.14806	0.6
186.14015	1.0
187.11212	1.4
187.14842	3.2
189.12813	1.2
195.11719	8.8
197.13248	4.2
198.13905	0.7
199.14830	9.1
201.12642	1.0
201.16402	13.8
203.17975	1.3
207.11708	0.7
209.11606	0.5
209.13304	8.0
211.14824	6.5
212.15698	0.6
213.12810	0.8
213.16380	5.7
215.17963	2.0
222.14027	0.8
223.14861	3.4
225.16402	8.4
227.14272	0.7
227.17943	6.6
229.15915	0.8
236.15598	1.0
239.17953	1.2
241.15797	0.9
241.19492	9.8
243.17555	0.9
245.18964	3.1
251.17958	28.7
252.18361	0.8
253.19580	1.7
259.20648	2.2
267.17523	1.4
268.08084	1.0
269.14279	1.5
269.19012	54.7
270.19397	1.9
271.20633	4.5
271.23605	0.8
281.22623	5.6
287.05518	2.2
287.20071	84.6
288.20425	2.4
289.21631	2.7
299.23688	10.2
303.04999	16.1
304.05374	1.3
305.21112	100.0
306.21417	2.4
317.24747	4.7
377.28360	2.0
395.29568	4.2
413.30548	10.0
431.31555	7.6
438.47757	0.6
449.25586	1.1
449.32339	4.8
467.26398	11.9
611.37885	50.6
612.37775	2.3
656.46906	0.5
737.40155	1.3
773.43317	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	773.2135
Annotation	Kaempferol 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01880	0.5
57.03445	1.0
60.04541	0.1
61.02637	0.1
61.02930	1.2
61.45394	0.1
67.05496	0.1
67.40693	0.1
68.99813	0.4
69.03436	3.2
70.06586	0.2
71.01370	0.1
71.05004	0.3
71.54362	0.1
72.08163	0.1
73.02913	0.5
81.03417	1.6
83.01334	0.1
84.08165	0.2
85.02910	13.6
86.03233	0.1
86.09696	0.1
87.04465	0.3
91.03964	0.6
95.04933	0.1
97.02901	4.0
99.04476	0.6
103.03903	0.1
105.03368	0.2
107.04961	0.2
109.02885	1.5
111.00822	0.5
115.03915	0.1
121.02871	2.4
127.03921	3.0
129.06970	0.1
129.10329	0.1
133.02843	0.5
135.04424	0.2
137.02357	0.6
141.06891	0.1
145.04967	2.9
147.04411	0.6
148.04745	0.1
153.01834	2.4
157.06485	0.3
163.06023	0.5
165.01848	1.4
171.04472	0.2
183.02930	0.8
185.06003	0.3
189.05528	0.2
197.06049	0.1
213.05490	1.1
220.23743	0.1
229.04961	0.1
231.06488	0.6
241.04933	0.9
258.05292	1.0
259.06024	0.4
269.04459	0.2
287.05505	100.0
288.05847	2.5
299.05560	0.1
314.79510	0.1
329.06473	0.3
353.06729	0.1
431.09637	0.1
449.10815	10.7
450.11209	0.5
477.00040	0.1
503.60226	0.1
711.29816	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2137
Annotation	Kaempferol 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01844	0.4
56.46192	0.1
57.03450	0.6
61.02929	0.9
61.49870	0.1
65.03934	0.1
68.99780	0.3
69.03434	2.1
70.10825	0.6
71.04977	0.2
73.02873	0.3
81.03415	1.0
83.01324	0.1
85.02911	8.0
87.04458	0.2
91.03916	0.3
97.02293	0.1
97.02893	2.8
99.04430	0.4
107.04951	0.3
109.02271	0.1
109.02872	1.0
111.00780	0.4
116.99242	0.1
121.02876	1.6
127.03084	0.1
127.03927	1.7
129.07025	0.2
133.02817	0.3
135.04411	0.1
137.02292	0.5
145.03941	0.1
145.04976	1.7
145.06493	0.2
147.04366	0.4
152.43246	0.1
153.00711	0.2
153.01851	2.1
157.06451	0.2
161.05873	0.2
163.06015	0.2
165.01848	1.0
169.03430	0.1
171.04385	0.2
183.02864	0.5
185.05963	0.2
203.07010	0.1
213.05476	0.9
231.06554	0.4
241.04903	0.7
258.05313	0.9
259.05923	0.3
264.45422	0.1
287.05505	100.0
288.05844	2.7
299.05618	0.2
329.06506	0.4
353.06558	0.2
449.10828	18.0
450.11023	0.6
611.16010	1.9
767.83789	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2136
Annotation	Kaempferol 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01873	0.4
57.03444	1.1
61.02936	1.3
68.99806	0.3
69.03438	3.3
70.06599	0.5
70.11417	0.9
71.04992	0.4
73.02907	0.5
81.03421	1.5
83.01353	0.3
84.47240	0.2
85.02913	15.2
86.03273	0.2
86.09706	0.6
87.04433	0.3
91.03963	0.5
97.02903	4.2
98.21446	0.3
99.04460	0.5
109.02866	1.2
111.00886	0.5
120.82206	0.2
121.02898	1.9
127.03929	2.8
133.02892	0.3
137.02341	0.4
145.04973	4.7
147.04424	0.4
153.01840	2.2
163.06046	0.8
165.01796	1.4
170.38921	0.2
171.04410	0.3
183.02934	0.8
185.05984	0.5
213.05527	1.0
231.06557	0.6
241.04958	0.8
258.05276	0.9
259.05981	0.3
287.05518	100.0
288.05844	2.7
329.06619	0.8
382.46939	0.2
449.10849	21.3
450.10904	0.8
530.29224	0.3
611.16486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2138
Annotation	LMPK12111744
Peak:m/z	Relative Intensity
55.01857	0.3
56.33175	0.1
57.03428	0.6
61.02936	1.1
66.47640	0.1
68.99800	0.3
69.03076	0.2
69.03435	2.8
69.47475	1.2
70.06597	0.2
71.05004	0.2
73.02940	0.3
81.03433	1.3
84.04443	0.1
85.02913	12.7
86.09707	0.6
91.03962	0.3
97.02897	3.1
97.92694	0.1
99.04454	0.5
101.70228	0.1
105.03378	0.3
107.04947	0.3
109.02870	1.3
111.00809	0.5
121.02881	2.1
127.03930	2.5
133.02872	0.3
137.02333	0.5
145.04968	2.8
147.04402	0.5
153.01843	2.4
156.09138	0.1
157.06421	0.2
163.06044	0.5
165.01854	1.0
171.04381	0.2
183.02954	0.5
185.05936	0.5
189.05423	0.2
197.06001	0.2
213.05463	1.0
231.06505	0.6
241.04990	0.7
258.05313	0.8
259.06097	0.3
260.83371	0.2
269.04294	0.2
287.05518	100.0
288.05841	2.5
307.91376	0.2
329.06653	0.4
353.06644	0.2
449.10843	12.4
450.11148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.8
57.03434	5.7
57.07070	3.0
61.02936	14.6
67.05508	26.6
69.03427	8.3
69.07083	11.9
70.75050	5.4
71.04997	2.3
73.02906	7.0
75.94217	1.5
79.05492	14.1
81.03411	4.9
81.07059	21.1
83.04992	1.8
83.08641	4.9
85.02910	13.4
91.03966	6.4
91.05479	18.0
93.07043	15.4
95.04984	4.3
95.08614	18.0
97.02907	12.7
97.06516	2.5
97.10175	3.4
98.19586	1.9
105.04527	1.7
105.07045	17.8
107.04956	2.2
107.08608	12.0
109.06531	1.7
109.10145	6.9
117.07037	8.7
119.08585	15.2
121.10160	5.8
123.08152	3.4
123.09021	2.0
127.03896	3.0
128.06190	1.8
129.07010	12.0
131.08574	15.1
133.10129	7.8
135.11678	3.9
141.07011	6.2
143.08545	10.5
145.04878	1.7
145.10135	14.0
147.11673	5.6
149.02403	4.2
153.07158	1.9
155.08565	10.1
157.10150	11.4
159.11713	9.7
167.08542	5.5
169.10152	10.2
171.11696	11.2
173.13312	5.3
179.08653	3.4
181.10129	8.2
183.11716	12.7
185.13281	6.2
187.14835	3.9
193.04941	3.4
193.10262	3.6
195.11670	9.4
197.13216	9.7
199.14818	5.4
201.16472	2.2
207.11710	3.8
209.13284	5.5
211.14864	5.4
213.16544	3.3
221.13281	3.6
223.14786	3.2
225.16440	3.3
235.14832	2.7
237.16383	3.5
239.17950	3.0
249.16417	2.2
251.17897	2.0
265.19766	2.0
279.21005	2.3
297.22131	2.1
351.26758	2.6
482.31049	1.8
515.38092	2.4
517.40338	5.4
535.41467	4.9
591.43878	7.0
607.43256	2.2
609.45197	100.0
610.45325	5.5
753.48987	2.4
771.50586	21.2
772.51935	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	771.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
55.05509	0.2
57.03445	1.4
61.02895	0.4
68.99777	0.2
69.03437	1.0
71.01345	0.2
71.04996	8.5
71.54796	0.2
72.08150	0.2
73.02905	0.3
73.58119	0.1
75.04449	0.5
77.66724	0.1
81.03385	0.4
81.50748	0.1
83.04935	0.5
84.04465	0.2
85.02908	12.6
86.03198	0.2
86.09689	0.2
87.04446	0.3
91.03919	0.1
92.12677	0.1
95.04915	0.1
97.02901	1.5
99.04426	0.2
104.36974	0.1
107.04928	0.3
109.02850	0.3
111.00813	0.7
111.04411	0.4
118.66965	0.1
121.02876	1.9
125.37722	0.1
127.03914	0.9
129.04616	0.2
129.05492	2.3
129.06989	0.2
133.02837	0.2
137.02303	0.5
145.04953	0.7
145.06308	0.2
147.04416	0.6
147.06480	0.6
153.00705	0.2
153.01840	2.5
156.26274	0.1
157.06448	0.3
165.01840	1.3
171.04350	0.2
172.23473	0.1
183.02864	0.6
185.05896	0.3
213.05484	1.1
231.06551	0.6
241.04898	0.7
258.05301	0.6
259.06128	0.3
269.04449	0.2
287.05502	100.0
288.05847	2.2
289.06171	0.2
299.05502	0.3
329.06522	0.3
358.15271	0.2
463.08728	33.5
464.09109	1.5
471.55432	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	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
55.05517	13.0
57.03437	4.4
57.07075	1.6
61.02930	15.0
65.03944	1.3
67.05511	21.4
69.03442	7.0
69.07079	8.4
69.22815	7.9
71.04997	1.9
73.02925	7.9
77.68402	0.7
79.05496	14.4
81.03422	4.3
81.07063	23.2
83.04994	1.6
83.08632	5.1
85.02913	11.4
85.06528	1.2
91.03967	7.2
91.05488	14.0
93.07059	15.1
95.04987	2.3
95.08613	16.6
97.02897	9.8
97.06548	1.9
97.10192	3.1
98.21507	1.8
99.04465	2.2
101.02414	1.3
105.07032	13.1
105.07669	0.9
107.08608	10.8
109.06541	1.4
109.10175	7.0
111.08096	1.4
114.49612	0.8
115.05471	1.4
117.07047	7.4
119.08590	10.6
121.10161	6.2
123.08087	1.5
123.11707	1.8
125.09634	1.2
127.03907	1.7
128.06239	2.4
129.06999	9.0
130.07822	1.2
131.08559	9.9
133.10152	7.9
135.11725	4.5
141.07033	5.1
142.07811	3.2
143.08566	10.3
144.09364	1.0
145.10135	12.3
145.34547	0.7
147.11693	5.9
149.09625	1.3
149.13278	2.2
153.06952	1.3
154.07817	1.6
155.08568	11.0
156.09343	1.3
157.10146	11.0
159.11716	7.9
160.12219	0.8
161.13332	3.1
163.11215	0.9
167.08574	4.4
168.09412	1.2
169.10149	12.5
171.11694	10.1
173.13277	4.5
175.14819	1.6
179.08624	2.4
180.09430	0.9
181.10156	7.1
182.10976	1.0
183.11729	11.6
185.13268	7.5
187.14862	3.4
193.10170	3.0
195.11728	6.7
197.13263	7.6
199.13116	1.4
199.14786	4.6
201.16356	2.0
207.11758	3.0
209.13235	5.2
211.14864	5.4
213.16443	3.6
219.11647	1.1
221.13347	3.0
223.14861	4.6
225.16437	3.9
227.18036	1.3
233.13249	1.4
235.14857	1.9
237.16489	3.0
239.18002	2.1
241.17752	1.0
249.16396	1.1
251.17943	1.5
253.19534	1.3
259.20697	0.9
263.18063	1.1
265.19547	0.9
283.20670	1.4
309.21890	1.2
321.21960	1.4
338.17090	1.0
351.26825	1.3
363.26712	1.3
365.28674	1.3
366.24915	1.0
495.33893	1.6
515.37421	1.1
517.40369	6.7
527.37427	0.9
535.41364	3.0
539.37537	1.7
581.44092	0.8
591.44238	7.4
592.44714	1.1
607.43481	1.6
609.45172	100.0
610.45447	7.1
753.48541	1.6
771.50330	19.9
772.50555	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01878	0.5
55.05508	1.3
55.60203	0.3
57.03445	1.8
57.07080	0.4
61.02929	5.6
67.05508	5.4
69.03437	3.4
69.07078	1.0
69.91351	1.8
71.01353	0.3
71.05002	2.5
73.02921	4.2
79.05503	3.5
81.03430	1.2
81.07059	5.6
83.08638	0.7
85.02905	5.4
85.06556	0.5
87.04490	0.5
91.03960	3.1
91.05492	3.3
93.07052	4.4
95.08614	2.6
97.02905	5.3
97.06552	0.6
98.20838	0.4
99.04489	1.0
101.02387	2.2
103.03981	0.6
105.07047	1.6
107.08598	1.7
109.02885	0.7
109.10188	1.4
111.08138	0.4
115.03899	0.6
117.07013	0.7
119.08592	0.7
121.10149	1.1
123.11672	0.7
127.03929	1.3
131.08559	0.8
133.10114	2.0
135.11737	0.5
138.54388	0.3
145.10158	0.4
147.11713	0.5
149.13251	0.6
151.11247	0.9
159.11710	0.6
185.04230	0.5
187.13368	0.6
192.75211	0.4
193.65901	0.4
203.05386	0.5
220.14505	0.3
243.08344	1.8
244.73831	0.3
267.15805	1.3
335.25919	0.8
377.96634	0.4
446.62634	0.4
453.21289	0.4
485.23657	4.7
519.29211	5.9
685.97766	0.4
763.46033	100.0
764.46143	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	766.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.0
57.03436	8.3
57.07087	2.4
64.74863	1.6
67.05510	45.0
69.07073	15.3
69.69586	4.8
69.70000	5.0
71.04992	2.2
71.29107	1.7
79.05499	26.7
81.03394	2.1
81.07061	50.9
83.08611	5.4
85.06581	1.5
89.77375	1.5
91.05477	23.6
93.07047	40.7
95.04958	2.4
95.08613	41.8
97.06527	4.1
97.10166	3.2
98.21452	3.0
98.84792	1.4
99.08109	1.4
105.07030	18.0
107.04954	3.6
107.08599	24.9
109.06519	2.8
109.10163	20.4
111.04321	1.6
111.08080	2.3
111.62049	1.4
117.07012	4.5
119.08591	17.0
121.06509	1.4
121.10149	14.8
123.08077	3.4
123.11681	3.9
129.07004	2.3
131.08578	7.5
133.10115	16.5
135.08080	2.0
135.11708	7.9
137.09624	3.7
141.10829	1.6
145.10132	4.2
147.11693	7.0
149.09669	2.5
149.13310	3.0
153.82896	1.5
157.10129	3.4
159.11693	3.7
161.13243	3.0
173.13220	2.1
175.14684	2.0
189.16397	6.7
195.00285	5.8
199.14857	3.3
213.19357	1.8
235.16919	23.2
253.17963	4.6
261.22116	3.6
309.20584	30.3
323.43958	1.9
335.25806	100.0
336.26010	3.1
569.42053	79.0
570.42157	3.3
799.20239	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	14.5
55.05496	1.3
56.05047	5.2
58.06339	1.6
58.06606	18.0
58.99591	11.9
59.96726	1.1
61.01160	5.5
65.03943	2.3
67.05492	3.0
68.05029	3.7
69.03429	1.3
69.07063	1.8
70.06597	12.1
70.61345	0.9
70.63078	3.0
72.08186	1.6
73.01146	16.4
74.00671	20.4
74.02454	4.6
76.01831	1.3
76.02236	21.8
76.03999	4.4
81.07063	2.1
81.80351	0.9
82.06576	4.1
83.06113	4.8
83.07366	2.1
83.55362	0.9
84.04510	97.8
84.08141	7.7
85.02890	1.1
85.04025	7.7
85.92891	1.0
86.09723	0.9
86.99057	3.1
88.02225	1.5
92.01702	2.7
96.08139	17.8
99.02686	46.9
101.04222	4.8
102.03745	0.8
104.98322	19.7
107.99404	5.8
109.07674	1.3
110.06081	1.4
112.03973	28.1
113.03492	3.4
115.05802	3.7
116.01693	11.6
116.05325	70.7
116.07085	25.6
124.02203	0.9
124.07594	17.9
126.03802	1.4
126.09121	4.5
127.02167	1.8
129.06595	9.0
130.05014	40.9
130.99782	1.1
131.04520	7.5
135.05609	1.1
142.03218	6.1
142.08632	15.4
144.01161	4.7
144.04787	2.5
145.03188	1.8
145.06107	2.5
147.02977	2.2
148.02510	12.6
153.06570	1.6
155.08199	5.6
156.06561	1.3
160.00650	4.6
162.02226	13.9
169.05991	0.9
170.02760	2.7
170.08133	76.7
172.04201	1.1
174.00453	1.4
177.03305	26.0
179.04855	25.6
181.06070	2.5
182.06412	4.2
185.03828	1.7
187.05432	1.6
188.02029	2.8
201.06760	1.1
202.00040	1.8
202.05348	49.2
211.02087	7.9
213.12364	3.6
215.04869	2.3
217.06313	1.6
219.07999	100.0
220.08363	1.2
227.08398	1.8
229.06303	1.5
231.04294	4.8
233.05960	6.5
234.02603	1.7
245.05963	4.0
245.09595	3.3
251.05219	29.1
255.07983	3.6
259.11145	1.7
273.09058	13.0
285.03955	9.4
288.06491	2.2
290.08136	2.0
305.06219	4.3
306.07556	1.7
308.09082	8.5
323.03571	1.5
325.07056	10.7
326.90939	1.1
330.11230	4.3
339.05145	5.8
340.06396	2.1
348.12256	55.3
349.12521	1.5
379.07901	2.0
380.09448	26.9
396.07132	2.6
414.08191	9.5
429.09381	2.9
454.11386	15.6
470.09055	1.7
503.11221	18.4
557.12280	9.8
585.14264	0.9
614.14148	5.8
632.15552	10.3
668.15161	1.7
686.16650	5.5
743.18994	4.4
761.18494	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95840	0.8
55.01865	1.3
55.05510	2.8
56.05036	1.0
57.98790	0.9
58.99588	15.8
61.02929	1.2
64.19616	0.9
65.03912	0.8
67.05515	5.8
69.03428	2.7
69.07075	4.7
69.24500	7.6
70.06596	5.9
71.04974	0.8
73.01124	0.9
76.02231	69.8
76.04002	3.0
79.05486	5.0
81.03416	1.6
81.07059	7.3
83.04962	2.0
83.06103	0.8
84.04507	11.3
84.08136	1.3
85.02901	4.2
86.09714	4.0
86.99056	2.6
88.02206	1.0
91.05487	6.7
93.07063	7.6
95.04990	1.4
95.08612	5.8
97.02895	2.2
97.06544	1.3
99.05566	1.1
105.07039	7.5
107.04953	2.3
107.08588	6.0
109.02869	1.4
109.06518	2.8
109.10162	3.0
111.08102	1.1
114.03761	1.3
116.01677	19.7
117.07023	2.6
119.08590	4.5
120.08093	1.8
121.06520	3.6
121.10123	3.3
123.08027	1.4
127.03884	1.2
129.06639	1.7
130.05034	5.1
131.08548	4.2
133.10158	4.9
135.08086	1.9
135.11690	2.1
142.03217	7.8
143.08507	1.2
144.01161	11.2
145.06215	0.7
145.10141	4.5
147.11670	3.7
149.09599	1.5
149.13303	1.1
151.11214	1.4
155.08539	0.9
157.10121	2.0
159.11694	2.2
161.09601	1.9
161.13216	1.0
162.02211	41.2
163.11197	1.6
163.14778	0.8
170.02740	3.5
171.11734	1.6
173.13243	1.5
175.11179	0.9
177.05568	0.9
178.95894	0.7
179.04861	100.0
180.05200	1.1
186.02264	1.0
187.05377	2.9
191.14413	0.8
201.12715	2.0
207.13795	1.9
215.04849	1.9
219.13875	1.2
229.19505	1.1
233.05995	10.2
233.15913	0.8
239.17958	1.3
245.05949	3.1
257.18964	3.8
273.18546	4.4
275.20068	24.7
289.04904	1.1
290.07956	0.9
291.06540	1.6
291.19510	2.2
293.21124	17.4
294.21292	0.7
308.09113	40.1
327.19339	0.8
351.19720	0.9
368.22623	10.9
378.20773	1.2
383.11252	1.0
401.52252	0.7
453.24283	6.9
471.25528	4.5
507.25214	0.8
525.26178	3.2
582.28217	1.4
600.29517	32.7
601.29523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01870	1.8
55.05263	1.2
55.05519	15.6
57.03437	6.4
57.07076	2.2
59.04992	1.1
61.02917	4.0
65.03943	2.8
67.05511	69.4
69.03436	2.3
69.07072	11.7
69.39359	6.4
71.04596	1.0
71.04999	20.9
79.05499	41.8
81.03420	1.1
81.07065	100.0
83.04984	3.7
83.08622	9.8
85.02918	2.7
85.06543	8.1
91.05488	29.5
93.07051	40.6
95.04987	4.0
95.08614	31.5
97.02911	1.9
97.06541	5.0
97.10169	3.1
99.08125	1.5
105.07040	17.0
107.08606	22.8
109.06538	2.0
109.10172	15.3
111.08083	2.2
117.07018	4.6
119.08591	9.8
121.10158	17.7
123.11717	13.9
127.03921	1.2
131.08589	9.1
133.10147	18.8
135.11707	9.2
143.08612	1.0
145.10158	4.9
147.11703	5.5
149.13261	6.3
151.11212	6.4
153.12793	1.1
159.11726	6.5
161.13269	3.0
163.14903	1.2
169.12161	1.1
173.13264	2.1
177.12766	2.7
183.13847	3.1
184.07368	1.7
184.60510	0.8
185.13316	1.3
187.13321	3.3
187.14876	1.3
195.13829	2.0
201.14864	1.7
213.14815	1.2
216.62216	0.9
227.16438	1.3
233.81256	0.8
257.17480	1.5
259.20639	1.2
261.22189	3.6
269.17404	4.7
275.31024	0.9
301.20093	16.3
317.24762	0.9
335.25803	26.2
411.32614	1.7
485.36279	2.4
503.37329	87.2
504.37817	4.8
517.38953	3.8
529.38818	14.2
561.41553	80.1
562.41687	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	761.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59702	1.1
55.01870	11.0
55.05500	1.6
56.05045	5.8
58.06353	1.1
58.06605	14.8
58.99595	9.9
61.01135	5.0
65.03929	1.9
67.05505	3.2
68.05016	1.7
69.07069	1.9
70.02973	1.4
70.05576	3.1
70.05976	2.0
70.06593	17.4
71.04980	1.7
72.08153	2.1
73.01147	15.3
73.02905	1.1
74.00674	17.6
74.02433	4.4
75.02731	1.1
76.02233	23.6
76.04001	3.8
80.05026	1.6
81.03394	1.7
82.06568	3.8
83.06096	3.7
83.07370	2.2
84.04509	91.9
84.08141	8.8
85.02900	4.7
85.04031	6.3
86.06089	1.1
86.09705	4.9
89.04249	1.4
91.65649	1.1
92.01706	4.9
96.08127	18.2
97.02885	1.3
99.02686	53.8
101.04244	6.0
102.05487	1.6
104.98323	16.1
105.06998	1.9
105.60803	1.3
107.99387	4.0
109.06425	1.0
109.07672	2.0
112.03971	30.9
113.03519	2.2
114.03750	2.0
116.01703	12.1
116.05325	75.8
116.07085	29.1
117.07076	1.4
120.08124	2.2
124.07591	17.4
126.03747	1.7
126.09164	3.3
127.02116	2.0
127.03928	1.6
129.06621	8.1
129.10205	2.2
130.05005	33.6
130.05946	2.4
130.99835	2.4
131.04529	4.5
141.04774	1.6
142.03218	4.7
142.08632	9.8
144.01134	5.8
144.04803	4.2
145.03160	1.4
145.06087	2.4
145.10109	2.1
147.02988	2.1
148.02504	10.4
153.06598	1.5
155.08170	4.5
160.00642	4.3
162.02206	13.7
170.02673	2.3
170.08136	64.9
173.06133	1.4
177.03308	24.1
179.04861	26.8
181.06052	2.6
182.06425	4.0
185.03816	3.9
187.05399	1.5
188.02092	2.4
198.57611	1.2
199.07138	2.1
200.08018	1.2
202.00023	1.2
202.05327	49.4
206.09012	2.0
211.02043	4.8
213.12442	3.7
215.04791	1.5
219.07991	100.0
220.08170	2.4
229.06467	2.3
231.04314	2.6
233.05989	9.0
236.01463	1.3
245.05852	1.9
245.09612	2.9
249.16628	1.5
251.05202	25.9
255.08034	4.4
265.10846	1.4
269.91550	1.2
273.09052	8.8
285.03964	6.8
288.06522	2.9
291.06506	1.6
303.19592	1.7
305.06229	3.8
308.09088	6.7
313.38766	1.4
325.07092	7.4
330.11078	4.1
339.04959	3.3
346.10641	1.2
348.12247	54.8
349.45041	1.2
380.09393	23.2
384.03378	1.2
396.07196	2.9
414.08289	7.2
429.09409	2.5
454.11325	10.7
470.09186	2.0
503.11185	19.5
540.96918	1.3
557.12402	13.1
614.14490	6.1
632.15131	9.9
668.15228	1.4
686.15839	5.2
743.18365	5.3
761.18567	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1972
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03934	0.1
55.01850	0.1
57.03436	0.3
61.02921	0.2
65.03931	0.8
68.99795	0.6
69.03432	1.6
70.00063	0.2
70.00460	0.3
70.06594	1.0
71.01368	0.2
71.05002	0.1
72.08163	0.3
79.05470	0.1
81.03415	0.7
84.04511	0.4
84.08125	0.2
85.02908	1.9
86.09704	0.7
91.05484	5.9
92.05852	0.1
95.05048	0.1
97.02895	3.5
99.04453	0.2
101.02402	0.1
101.07111	0.1
103.05470	0.1
105.03413	0.3
107.04979	0.4
109.02888	0.5
111.00817	0.7
111.04420	0.2
119.04948	14.5
120.05299	0.1
121.02872	2.9
127.03921	0.5
129.10262	0.2
133.02864	0.4
135.04445	0.2
136.07573	0.2
137.02344	0.9
138.88463	0.1
145.04956	0.3
145.06422	0.2
147.04414	67.3
148.04749	1.0
151.03992	0.1
153.01823	3.5
157.06485	0.4
161.05984	0.2
165.01860	1.9
165.05498	1.4
171.04443	0.2
183.02940	0.8
185.05984	0.5
189.05510	0.1
197.06036	0.2
199.03983	0.1
213.05486	1.5
231.06461	0.6
239.37059	0.1
241.04918	0.8
243.06554	0.2
258.05283	1.1
259.05954	0.4
269.04367	0.2
286.04837	0.1
287.05499	100.0
288.05869	2.5
291.08649	0.5
299.05469	0.5
309.09705	3.9
311.05255	0.2
329.06601	1.1
353.06332	0.1
395.07309	0.1
524.60181	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01873	4.0
55.05517	4.7
57.03439	7.7
57.86875	0.7
61.02931	37.2
65.03942	1.1
67.05507	7.5
69.03432	24.3
69.07072	59.3
69.21801	1.0
69.22211	6.4
70.06599	5.3
71.01350	1.3
71.04977	2.6
71.06893	0.7
72.08150	1.9
73.02926	12.5
73.06561	8.7
74.73364	0.7
79.05492	9.0
81.03424	11.7
81.07064	15.3
83.04990	1.0
83.08601	1.2
84.08129	2.3
85.02911	79.1
86.03210	0.9
86.09694	2.3
87.04456	2.6
90.66589	0.7
91.03963	28.0
91.05476	12.7
93.07057	14.7
95.04958	3.0
95.08613	13.8
96.08981	0.8
97.02900	38.9
97.06538	12.7
99.04457	5.4
99.08071	0.9
101.02354	3.0
103.05492	0.9
105.07035	34.1
107.04985	3.6
107.08595	15.4
109.02894	7.8
109.06523	26.1
109.10162	7.9
115.03917	2.3
115.07579	35.2
116.91312	0.7
117.07029	6.2
119.04956	0.7
119.08579	15.1
120.08111	1.1
121.06483	1.3
121.10148	10.3
123.08061	1.9
123.11752	3.5
125.09618	3.1
127.03924	17.7
127.11209	2.1
128.06210	1.1
129.07022	2.7
129.10201	0.9
129.60071	0.7
131.08580	9.3
133.08604	0.9
133.10130	9.7
135.08087	1.0
135.11732	5.8
141.06963	1.1
142.07808	1.0
143.08574	10.9
144.09076	0.7
145.04968	16.5
145.10136	11.0
146.42967	0.7
147.04457	1.8
147.08093	0.8
147.11694	21.7
149.09631	3.2
149.12192	0.9
149.13275	13.1
155.08582	2.7
157.10133	12.9
159.11710	10.3
161.09668	4.3
161.13264	84.9
162.13585	1.3
163.06036	4.3
163.11159	2.7
163.14781	1.1
165.09117	0.8
167.10686	19.0
169.10112	2.9
171.11665	6.0
173.09604	1.2
173.13283	7.1
174.92004	0.8
175.11270	2.1
175.14946	1.6
177.12762	2.3
179.10661	2.7
181.12311	1.1
183.11726	3.7
185.13272	3.6
187.14813	3.2
189.12747	0.7
189.16443	1.1
197.11691	1.0
197.13306	7.3
199.14822	9.4
201.16350	3.3
211.14839	3.9
213.16373	2.9
215.18007	1.2
225.16408	2.4
227.17946	1.7
243.21179	1.3
251.17899	1.5
253.19524	45.6
254.19974	0.8
255.21106	1.6
257.64697	0.7
269.18927	3.3
270.19131	1.1
271.20578	52.2
272.20917	1.7
283.24246	4.3
287.05453	2.5
287.20081	2.3
288.20328	1.4
289.21631	100.0
290.21942	2.1
301.25339	4.4
317.24744	0.8
379.29681	0.7
397.31155	2.7
415.32043	5.4
431.31271	0.7
433.33136	21.4
451.26917	93.2
452.27139	3.5
473.22928	0.7
559.35883	1.2
577.36761	0.9
584.92719	0.7
595.38428	56.6
596.38428	2.7
721.41943	0.8
757.43634	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	752.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.05520	13.2
57.03445	9.5
57.07067	2.9
60.12748	1.7
61.72766	1.7
63.04145	1.7
65.03950	3.0
65.38451	1.5
67.05170	3.0
67.05514	47.2
69.07060	12.9
70.74974	2.3
70.75315	3.7
70.88808	1.8
72.77300	1.8
79.05498	28.8
81.07065	53.4
83.05010	2.2
83.08620	6.6
85.06554	3.6
91.05488	22.4
93.07051	39.8
95.04968	5.0
95.08613	41.2
97.06535	4.6
97.10158	2.5
105.07043	22.8
105.19450	1.8
107.08611	20.0
109.06537	6.3
109.10168	15.9
111.08086	2.9
117.07046	6.1
119.08597	25.3
121.06496	3.2
121.10139	10.8
123.08039	3.4
123.11731	4.0
129.07024	5.8
131.08560	4.8
133.10141	11.3
135.08064	2.3
135.11731	6.1
143.08510	2.3
145.10132	3.9
147.11685	7.6
149.13280	2.5
157.10196	3.0
159.11708	4.8
161.13268	3.0
164.96368	1.9
175.14912	8.8
185.13292	6.3
214.99170	2.0
221.15338	12.8
228.12321	1.7
235.51173	2.7
239.16420	6.3
261.22159	1.9
295.19086	33.6
317.24875	2.3
335.25830	100.0
336.26056	3.5
523.99591	2.0
555.40485	66.0
556.40710	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	745.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.5
57.56473	0.4
69.56001	3.4
70.06593	87.0
74.06090	3.8
84.04507	4.1
84.08144	15.7
85.02870	0.6
94.89685	0.5
98.06032	0.8
101.07117	1.4
101.10800	1.0
102.05534	1.2
112.07608	100.0
113.07934	0.8
115.08676	0.5
129.10239	8.1
130.08659	5.6
133.49695	0.5
140.07069	72.4
141.06458	0.5
147.11296	5.2
157.09735	20.6
159.07629	0.6
167.11862	0.9
168.06639	0.7
184.10823	0.7
185.09239	1.4
203.10274	2.1
212.13908	0.6
213.08675	0.8
213.12329	0.8
230.15062	1.7
231.09859	1.3
240.13435	3.9
248.16074	4.9
251.10254	0.9
263.47833	0.5
268.12943	11.5
315.33765	0.6
323.17096	1.2
324.15668	0.6
325.14932	1.0
332.14560	0.9
334.13937	0.7
341.18442	1.3
351.16617	7.6
359.19339	1.4
369.17673	4.0
377.20319	1.9
430.45435	0.5
478.25116	3.3
480.20834	5.7
498.22144	2.0
563.25159	0.6
581.25159	0.7
599.26270	1.3
727.35870	2.7
745.37225	70.3
746.37573	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	748.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44098	0.6
55.01876	4.1
55.05511	4.4
57.03425	0.9
57.06820	1.0
57.07077	11.7
67.05510	7.9
69.07073	4.4
69.50498	4.6
71.08633	7.7
79.05497	5.3
81.07064	26.2
83.04974	2.5
83.08641	3.4
85.10192	3.2
91.05486	2.6
91.42690	0.8
93.07034	4.2
95.05006	0.8
95.08612	10.4
97.10165	1.4
98.20734	0.9
102.60876	0.6
105.07030	2.7
107.08609	4.7
109.06529	10.3
109.10165	4.9
111.04450	15.4
111.08009	0.7
117.07038	0.7
119.08598	3.2
121.10158	5.8
123.08070	2.1
123.11736	2.4
123.27005	0.8
125.06023	5.0
125.64026	0.8
131.08580	2.4
133.10149	4.2
135.08031	2.8
135.11717	4.0
137.05988	100.0
137.13263	2.8
138.06332	0.9
143.08650	0.9
145.10173	1.2
147.08028	1.2
147.11688	5.0
149.09564	3.9
149.13272	1.2
151.07547	2.9
151.11168	1.1
157.10158	1.9
159.11757	0.9
161.09634	6.5
161.13293	2.1
163.11183	3.1
163.14818	1.1
165.09167	2.4
165.12782	1.0
171.11740	1.1
175.11209	4.2
175.14833	1.2
179.10710	1.7
181.12253	0.8
183.43546	0.7
189.12799	1.2
203.17976	6.0
213.16425	3.2
221.18974	1.5
223.14919	0.7
231.17456	7.8
241.16042	1.1
249.18506	6.5
261.71286	0.8
277.18005	43.7
282.28021	2.3
295.19055	12.2
313.27347	16.6
320.22253	4.6
332.97751	0.6
351.21698	9.8
436.28546	0.8
454.29608	0.9
589.44641	79.5
590.44849	4.2
607.45746	14.3
730.46973	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13559	0.4
53.03930	0.6
65.03937	2.7
70.06585	0.9
70.81242	1.2
72.08143	0.5
79.05490	0.8
86.09710	1.1
91.05487	41.2
92.05804	0.4
95.04977	10.2
103.05441	0.5
104.06226	0.4
105.07005	0.4
107.04971	0.4
109.06548	0.5
115.05451	3.7
117.07010	1.2
118.04160	1.1
119.04950	29.9
119.08570	0.5
120.08138	0.4
123.04450	1.8
123.08052	1.3
128.06259	0.5
129.06947	0.4
131.04932	0.6
132.05724	3.5
136.05231	4.6
137.05994	3.2
139.99445	0.4
140.04674	0.9
143.04904	1.4
144.05705	1.3
145.06331	0.4
147.04456	0.6
149.05994	0.7
150.06760	0.9
151.07552	100.0
152.07892	1.7
155.07086	3.2
160.05194	7.0
165.07019	0.8
167.06989	0.5
170.03615	1.2
171.04448	1.5
174.03204	0.7
175.07547	1.6
177.05545	0.5
177.07077	0.4
178.07800	1.3
179.08534	1.2
181.06497	0.9
188.04701	3.4
189.06993	1.5
191.08592	1.0
192.04184	1.7
192.17523	0.4
194.08226	5.0
198.03142	3.3
203.07025	1.5
205.06488	1.8
206.07262	2.5
207.06493	0.8
207.08105	4.8
209.09579	0.6
213.04166	0.9
216.04201	3.4
217.06490	0.9
218.07317	1.0
219.08064	2.4
220.03586	1.4
220.05431	2.9
221.05963	1.3
221.08057	0.9
222.06711	1.8
223.07536	0.8
225.04074	0.4
228.13626	0.4
231.06535	63.6
232.04924	0.6
232.06876	1.3
233.05983	4.6
234.06796	7.8
235.07538	9.1
236.08171	0.7
237.05446	1.1
237.09068	2.2
241.03700	2.8
245.05928	1.6
246.06796	0.5
247.03935	0.6
247.07520	0.4
248.04657	4.0
249.05417	1.8
250.06369	2.3
251.07008	1.2
252.07962	1.2
254.05870	0.5
256.06036	1.2
259.04678	0.8
260.04694	2.8
261.05411	2.9
262.06268	13.5
263.07047	26.4
264.04346	0.5
264.07663	1.3
265.05124	3.7
265.08429	3.0
267.06845	0.5
267.10153	0.9
269.08078	1.1
274.07111	10.1
275.07587	0.5
276.04153	1.2
277.04880	1.2
278.05789	0.9
279.06537	4.2
279.09521	0.5
280.07361	2.4
281.08105	1.0
282.08801	1.3
286.07147	1.6
289.04846	0.8
290.05753	6.8
291.06540	4.1
292.07211	0.5
293.04419	2.5
293.07977	1.2
294.05740	0.7
294.08835	2.9
295.06534	0.5
295.09576	1.8
297.07553	1.2
297.11212	2.2
299.09210	0.5
300.08786	1.3
306.05377	0.7
307.06149	3.6
308.03372	0.6
308.06815	6.7
309.07507	2.1
311.09103	0.4
312.09805	0.5
313.07031	0.6
318.05148	1.8
321.07556	0.7
322.04724	1.8
322.08243	0.9
323.09113	10.5
324.09918	1.1
325.06967	2.0
325.10721	2.4
327.08649	1.8
335.05408	0.9
336.06143	1.8
337.06976	2.1
340.09512	2.1
342.10947	1.6
345.09674	0.7
350.08383	0.5
351.08649	40.1
352.09067	1.7
353.06512	0.4
355.11758	1.7
357.13202	2.9
359.11230	0.6
368.08981	1.3
383.11261	84.6
384.11542	2.8
387.10760	1.1
398.16037	0.7
411.10406	0.8
424.13919	86.0
425.14209	3.6
429.11829	1.1
550.12915	0.7
550.20789	9.3
551.21094	0.5
578.20270	15.6
579.20355	1.0
745.29584	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	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05515	19.2
57.03437	7.7
57.07052	2.3
61.02927	3.0
67.05512	77.6
69.03438	2.5
69.07080	14.1
70.40984	3.2
70.41312	4.6
71.05003	6.2
71.08617	2.7
75.57740	2.2
79.05505	42.2
81.07063	100.0
83.04982	5.0
83.08621	13.3
85.02896	2.7
85.06538	6.9
86.07841	2.4
91.05486	25.7
93.07049	54.7
95.04993	3.3
95.08611	34.3
97.06537	8.3
97.10207	4.5
105.07037	16.6
107.08608	29.2
109.06520	3.2
109.10165	15.6
111.08107	3.8
117.07031	7.9
119.08617	10.0
121.10160	19.9
123.10892	2.1
123.11708	9.4
126.23916	2.4
131.08569	12.0
133.10127	18.4
135.11732	14.0
145.10129	5.1
147.11690	3.2
149.13281	15.0
151.11211	5.3
157.10124	2.7
159.11699	12.5
161.13245	3.9
173.13297	5.5
177.12798	6.0
184.07416	3.5
187.13341	7.1
187.14856	3.3
195.13889	7.0
236.20708	2.2
241.14354	2.2
243.15968	28.8
261.22174	6.2
269.17477	33.4
273.26389	2.3
287.18570	27.9
304.55975	2.3
332.36276	2.2
335.21979	4.1
335.25842	59.0
336.26157	2.8
337.93524	2.0
361.27707	3.5
414.35074	2.2
435.19537	2.3
448.01724	2.3
503.37341	95.8
504.37558	4.8
529.38727	10.1
547.40063	46.1
654.58862	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
54.24463	1.4
55.01840	1.7
55.05521	11.6
56.58685	1.4
57.03428	5.1
57.07064	2.0
59.04982	2.1
61.02909	3.8
65.03934	3.6
67.05510	92.2
69.07080	13.8
70.08244	5.9
71.05008	16.3
79.05061	2.1
79.05501	32.6
81.03391	2.0
81.07063	37.3
82.07373	1.3
83.04984	3.7
83.08632	8.0
85.02892	2.1
85.06521	5.3
91.04967	2.5
91.05489	26.0
93.06477	2.4
93.07053	44.1
95.04976	3.6
95.08616	29.7
97.02856	3.0
97.06519	5.5
97.64342	1.6
105.07044	11.7
107.08602	18.4
109.06503	1.9
109.10166	59.9
111.08067	3.2
117.07008	5.0
119.08583	16.6
121.10156	14.8
123.11735	2.5
131.08569	5.6
133.10088	8.0
135.11696	14.0
137.09615	8.5
142.00450	2.0
145.10107	9.0
147.11684	5.7
149.13196	3.0
151.11208	1.5
155.10661	2.3
159.11711	5.0
161.13223	2.9
163.11246	3.0
169.10144	1.7
173.11728	6.9
173.13181	3.6
179.35941	1.6
181.12248	1.5
185.07555	1.5
185.13297	1.6
189.11310	1.8
207.70578	1.8
243.15935	2.5
248.83868	1.5
255.15950	5.1
261.22046	3.8
287.18500	18.4
335.25842	31.6
471.34607	2.3
489.35806	100.0
490.36008	4.7
503.36884	4.9
515.37415	12.1
547.39996	78.9
548.40070	5.5
572.47815	2.1
630.88550	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63776	0.5
53.90874	0.6
54.99921	0.5
55.05508	1.9
55.91311	0.5
57.03436	1.3
61.02938	4.6
67.05515	4.5
69.03429	2.3
69.07079	1.5
69.95012	0.6
73.02923	2.4
78.63354	0.6
79.05506	5.7
81.03429	1.3
81.07071	5.1
83.08624	0.8
85.02915	3.9
85.03360	0.6
91.03979	2.6
91.05492	2.4
93.07070	4.7
95.04980	0.9
95.08630	3.0
97.02896	3.5
97.10215	0.7
99.04466	0.8
101.02411	1.6
105.07052	2.8
107.08628	2.3
109.02875	0.9
109.10175	1.0
117.07056	1.1
119.08571	1.4
121.10128	1.0
126.10033	0.6
127.03938	1.9
131.08627	0.7
133.10190	1.1
135.11734	1.4
145.10152	0.9
147.11700	1.9
171.11823	0.9
205.07275	0.6
223.34874	0.6
243.08549	1.3
465.21027	5.5
479.04855	0.8
519.29230	4.4
568.33478	0.8
571.47534	1.2
743.43420	100.0
744.43610	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	741.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82887	0.4
53.03937	2.1
55.01855	2.0
55.05508	2.7
57.03438	4.6
57.57346	0.5
59.04989	0.7
61.02929	22.3
65.03931	0.5
67.05509	6.0
69.03085	0.9
69.03433	14.0
69.07072	37.7
70.06573	0.7
71.04979	1.5
71.26050	0.9
73.02557	0.7
73.02924	8.1
73.06563	5.5
79.05492	7.1
80.33022	0.5
81.03422	7.6
81.07058	13.8
83.08609	1.8
85.02909	45.6
87.04455	1.4
91.03410	1.0
91.03963	18.5
91.05490	7.8
93.07048	9.8
95.04951	1.8
95.08609	10.2
97.02897	23.1
97.06001	0.7
97.06544	9.0
97.10157	1.2
98.03236	0.6
99.04446	2.7
99.08111	0.5
101.02364	0.6
105.07032	21.2
107.04943	0.9
107.08603	12.2
109.02896	4.5
109.05788	1.0
109.06523	17.0
109.10162	6.0
109.36306	0.5
112.08441	0.5
115.03933	1.9
115.07571	24.0
117.07020	4.2
119.07788	0.9
119.08591	13.6
121.09318	0.7
121.10145	10.3
121.25960	0.5
123.11714	1.6
125.09627	1.4
127.03928	10.5
127.11155	1.1
130.07768	0.7
131.08585	7.5
133.10139	10.2
135.11711	8.2
143.08534	1.6
145.04958	7.5
145.10120	15.2
147.11694	29.6
149.09654	0.8
149.13245	4.2
151.07547	0.6
151.11226	0.7
151.14748	0.6
157.10139	1.6
159.11700	17.6
161.13261	72.7
162.13596	1.2
163.06032	1.7
163.11197	1.6
163.14879	0.9
167.10693	13.0
171.11678	2.4
173.13280	13.5
175.14803	3.1
177.16486	0.7
181.12398	0.6
183.11742	0.6
185.13235	3.4
186.14029	0.7
187.14850	2.5
189.16414	0.6
199.14813	4.6
200.15495	0.6
201.16370	1.1
203.17958	0.8
213.16406	2.2
215.17947	1.3
219.63112	0.5
223.43381	0.5
227.17896	0.9
229.19479	0.6
253.19543	0.9
255.21086	100.0
256.21457	3.2
257.22650	1.7
269.13828	0.8
273.22147	38.4
274.22452	1.3
283.24200	0.6
285.25821	5.8
323.75485	0.6
352.97501	0.5
357.86185	0.5
381.31491	1.8
399.32678	3.8
417.27542	0.7
417.33655	10.2
418.34091	0.6
435.27441	84.8
436.27673	4.2
561.38074	1.4
579.38953	43.3
580.39142	2.2
705.42181	1.2
741.44226	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	741.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
53.73357	0.7
55.01882	1.7
55.05500	3.7
57.03445	4.0
61.02930	24.0
67.05505	6.4
69.03085	0.7
69.03436	12.7
69.07074	38.6
70.05091	3.3
71.04984	1.1
73.02924	8.9
73.06553	5.1
73.68806	0.7
77.03930	0.9
79.05499	8.7
81.03423	6.8
81.06641	1.2
81.07066	14.2
83.04995	0.8
83.08611	1.3
85.02910	45.4
86.03214	0.7
87.04459	1.5
91.03967	17.1
91.05032	0.7
91.05489	7.6
93.07063	8.9
95.04977	2.5
95.08619	9.8
97.02282	1.2
97.02899	21.7
97.06532	10.0
99.04443	2.6
101.02371	1.2
102.95737	0.7
105.04649	0.8
105.06386	1.3
105.07038	20.9
107.04971	1.0
107.08604	12.1
109.02894	3.6
109.06534	13.6
109.10141	6.6
114.71748	0.7
115.03908	0.8
115.05428	0.7
115.07581	22.6
117.07008	4.4
119.07793	1.0
119.08589	12.1
121.10163	9.1
123.11704	2.5
125.09631	1.6
127.03936	11.2
127.11189	0.7
131.08583	7.5
133.09224	1.2
133.10136	12.1
135.11705	7.4
143.08557	1.9
145.04976	7.2
145.10132	16.2
145.11278	0.9
147.11694	29.1
148.12024	0.8
149.09633	1.0
149.13261	3.6
157.10143	2.2
159.11707	19.4
160.19260	0.6
161.13264	70.8
162.13579	1.3
163.05995	1.4
163.11256	1.9
163.14828	1.1
167.10681	11.5
168.11096	0.9
171.11681	2.0
173.13271	13.8
175.14819	2.2
185.13361	3.3
187.14833	2.5
199.14830	5.2
213.16393	2.5
215.18082	1.0
223.09637	0.8
227.17915	1.8
253.19528	2.5
254.19748	0.9
255.21098	100.0
256.21463	2.5
257.22665	1.6
269.13776	1.2
273.22156	37.9
274.22491	1.4
285.25864	5.2
381.31482	3.0
399.32498	4.2
417.33664	11.0
435.27457	81.0
436.27734	3.8
579.38940	43.2
580.39136	3.4
705.42285	1.2
741.44086	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	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
54.28451	2.2
55.01883	3.5
55.05514	18.4
57.03453	11.6
59.25572	2.4
67.05167	3.8
67.05507	48.9
69.07072	19.0
69.82452	11.8
79.05499	49.8
81.03438	2.9
81.07065	48.4
83.08633	13.3
90.15732	1.9
91.05493	17.2
91.69476	1.9
93.07049	57.2
95.04980	7.8
95.08612	63.1
97.02893	4.1
97.06551	5.6
97.10182	2.5
98.21459	4.6
99.04485	5.2
100.30270	2.3
103.78548	2.3
105.07034	15.1
107.04959	6.9
107.08601	42.6
109.06547	4.1
109.10170	14.7
111.04484	2.3
117.07011	12.6
119.08604	15.7
121.06487	4.2
121.10146	25.8
131.08580	8.0
133.10147	6.9
135.11697	58.5
139.07545	2.8
145.10126	33.1
146.49057	1.9
147.11723	3.1
149.13269	3.2
152.04402	2.1
153.12823	2.7
161.13316	2.4
163.11195	65.6
167.29651	2.4
171.11882	2.0
181.12270	9.4
199.21669	1.9
207.31924	2.2
225.34337	2.4
227.10512	4.9
227.12785	88.1
243.21155	2.9
261.22168	9.5
270.11884	2.3
283.15430	93.2
284.15720	3.0
306.28000	8.2
335.25815	100.0
336.26425	4.3
337.27362	3.5
543.36865	82.7
544.36951	3.1
599.50342	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	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01880	2.0
55.05517	13.3
57.03448	7.6
57.07077	2.0
61.02928	2.1
65.03949	1.9
67.05175	2.5
67.05511	39.8
69.03426	1.4
69.07077	13.2
70.76319	1.2
71.05004	2.1
73.02924	1.3
79.05499	32.8
81.03417	2.2
81.07066	44.9
83.04985	2.8
83.08624	8.3
85.02920	1.4
85.06549	1.5
91.05488	15.9
93.07052	46.5
95.04980	6.4
95.08614	46.7
97.02913	3.3
97.06524	4.3
97.10172	1.6
99.04482	2.7
99.08086	1.3
105.07038	11.2
107.04972	5.7
107.08600	28.5
107.80179	1.1
109.06535	2.3
109.10152	10.9
117.07015	8.1
119.08591	10.3
121.06504	4.0
121.10167	16.1
123.11708	3.3
125.05972	2.1
129.26260	1.2
131.08592	5.3
133.10130	5.0
135.08098	2.0
135.11699	38.8
137.13258	2.0
139.07556	2.0
145.10139	24.4
147.11696	2.2
149.13246	2.2
159.11664	3.1
161.13341	2.2
163.11201	44.5
163.14859	1.8
181.12230	7.3
187.14735	1.4
214.47414	1.1
227.12791	55.6
228.13081	1.4
243.21164	1.7
255.91412	1.2
261.22192	8.8
283.15433	46.8
284.15875	1.4
306.27942	5.5
317.24670	1.8
335.25827	100.0
336.26187	2.7
337.27393	1.7
374.77014	1.1
543.36877	74.4
544.37012	4.6
599.50348	2.7
700.87030	1.2
719.67273	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01855	1.0
55.05496	3.2
57.03439	3.7
61.02928	23.4
65.03936	0.7
67.05505	8.3
69.03432	14.3
69.07072	34.7
69.90169	2.8
71.04977	2.0
73.02914	6.5
73.06559	4.9
75.77229	0.7
79.05491	7.1
81.03421	7.3
81.07056	13.3
83.08614	1.1
85.02908	47.1
87.04462	1.9
91.03959	16.2
91.05473	7.9
93.07035	10.3
95.04955	2.7
95.08614	8.3
97.02898	22.6
97.06533	9.0
97.10175	1.0
99.04442	3.2
99.08064	1.2
101.02411	0.9
103.03934	0.9
105.07026	11.6
107.04937	1.1
107.08598	11.7
109.02855	2.7
109.06522	15.1
109.10155	15.6
115.03912	2.2
115.05435	1.3
115.07567	19.8
117.07050	3.9
119.07903	0.8
119.08595	8.2
121.06451	0.8
121.10142	16.1
123.11680	3.8
125.09641	1.6
127.03915	9.2
127.11198	1.9
128.06177	1.2
129.07021	5.0
131.08577	11.8
133.09232	1.3
133.10136	16.5
135.11697	4.7
137.13263	0.8
141.06972	1.1
142.07776	4.7
143.08556	9.8
145.04968	8.3
145.10124	13.2
147.11684	24.8
149.09576	1.1
149.13274	3.2
151.11166	1.2
155.08562	2.7
157.10138	44.4
158.10545	0.8
159.11691	20.8
161.13254	3.9
163.06010	2.4
167.10663	13.0
169.10117	4.0
171.11700	10.1
173.13274	6.0
175.11224	2.3
175.14891	1.0
183.11710	5.7
185.13222	4.6
187.14894	1.3
195.11754	1.2
196.12563	0.8
197.13292	8.1
199.14807	1.9
211.14835	5.7
213.16324	1.7
223.14836	1.2
224.15614	2.6
225.16391	2.8
229.19582	0.7
238.17198	1.4
251.18007	1.9
253.19514	100.0
254.19923	2.8
255.21051	4.4
271.20563	58.8
272.20972	0.8
283.24265	7.6
293.52890	0.7
365.04816	0.8
379.30115	4.3
397.31030	5.8
415.32104	12.0
433.25888	31.4
434.25812	1.4
559.36072	1.2
577.37366	45.2
578.37439	2.2
703.40613	0.8
739.42206	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	738.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.05507	11.3
57.03442	3.5
67.05505	45.5
67.93391	2.4
69.07056	9.2
71.26479	3.1
71.26807	4.3
79.05498	54.4
81.03409	3.4
81.07060	40.6
83.04983	10.5
83.08612	4.5
91.05487	30.8
93.07046	52.0
94.36944	3.2
95.04964	11.0
95.08614	27.7
105.07037	22.5
107.08600	17.5
109.06578	4.9
109.10167	6.5
117.01505	3.0
117.07033	7.2
119.08566	13.6
121.10135	6.4
129.07004	8.1
131.08562	8.4
133.10165	10.5
135.11687	8.8
137.16570	3.0
145.10103	5.7
147.11707	21.7
161.09578	3.9
161.13239	6.3
171.11732	13.7
189.12724	4.1
207.13815	11.8
261.22128	6.7
281.17444	51.9
317.96588	2.8
335.25876	22.2
541.38898	100.0
542.39038	6.5
559.39606	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	739.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01869	1.7
55.05505	2.3
56.65053	0.5
57.03447	4.5
61.02932	25.0
65.03951	1.0
67.05511	8.2
69.03087	0.7
69.03436	14.5
69.07076	37.5
71.04982	1.8
71.26643	0.7
72.08131	0.5
73.02926	7.9
73.06554	4.8
74.97859	0.6
79.05503	6.5
81.03045	0.6
81.03427	6.7
81.07060	13.2
83.01335	0.8
83.08622	1.4
84.08120	0.6
85.02910	46.2
87.04462	1.6
91.03955	15.8
91.05484	9.4
93.07048	9.7
95.04953	2.0
95.08611	7.2
97.02898	20.1
97.03514	1.3
97.06536	8.6
97.10156	0.7
99.04478	3.0
99.08109	1.4
101.02420	1.1
105.07030	13.5
107.04951	1.5
107.08607	12.0
109.02895	3.6
109.06530	17.5
109.10160	14.2
115.03912	1.0
115.07578	19.9
117.07030	3.9
119.08599	7.7
121.10144	17.4
123.08034	0.6
123.11691	2.6
125.09615	0.9
127.03927	11.0
127.11201	1.9
128.06213	1.9
129.07018	5.2
131.08582	11.4
133.10141	15.8
135.11711	3.6
137.09602	0.8
141.06961	1.6
142.07777	6.0
143.08582	10.1
145.04964	8.6
145.10132	13.4
147.11697	22.6
148.12033	0.6
149.09592	1.7
149.13251	4.5
151.07545	0.7
151.11252	1.0
155.08571	2.5
156.09319	0.9
157.10138	48.3
158.10472	0.8
159.11697	20.8
161.13293	4.7
163.06012	3.0
163.11198	1.3
163.14809	0.8
165.00726	0.6
167.10686	12.9
169.10130	3.3
171.11705	9.1
173.13275	7.3
175.11198	2.4
175.14836	1.1
177.12805	0.7
182.10919	0.9
183.11739	5.5
185.13275	4.6
187.14833	1.4
195.11688	0.8
197.12032	0.6
197.13330	6.2
198.12051	0.6
198.13936	0.9
199.14835	2.3
201.16386	1.0
209.13271	1.3
211.14864	6.3
213.16418	1.6
215.17955	0.6
223.14760	1.3
224.15654	2.1
225.16324	3.9
227.18018	0.6
238.17186	1.4
239.17876	0.8
251.17952	1.7
253.19525	100.0
254.19888	2.3
255.21135	4.8
269.13776	0.7
271.20581	58.8
272.20999	1.5
283.20950	0.9
283.24185	7.0
296.73993	0.6
379.29822	4.5
397.31149	6.1
415.32156	10.9
416.32458	1.2
433.25870	30.5
434.26294	1.6
473.15350	0.7
478.21182	0.6
518.05139	0.6
557.34375	0.7
575.35254	0.9
577.37384	39.3
578.38049	1.7
703.39789	0.9
739.42841	4.3
746.84259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5622
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
53.03913	1.5
55.05514	9.2
56.05032	4.3
57.07065	6.6
57.32772	1.6
60.04530	69.8
60.75009	1.6
67.05505	15.2
69.07064	11.8
70.45358	5.4
71.08634	3.3
72.04516	3.9
74.06075	3.6
79.05498	9.0
81.03411	4.1
81.07064	15.6
82.06563	3.1
83.08609	5.9
86.06075	2.6
90.05550	3.9
91.05465	7.4
93.07046	10.0
94.06535	4.7
95.04943	2.8
95.08624	15.4
95.92436	1.8
96.08138	2.7
97.10144	4.3
105.07011	6.1
107.08591	5.2
109.10152	7.0
119.08579	4.9
121.10139	6.4
122.09740	1.8
123.11687	2.0
133.10138	5.5
135.11673	2.8
147.11703	2.9
167.96977	1.9
245.22632	3.3
250.25378	2.4
262.25314	28.7
263.23639	3.5
272.25879	6.9
280.26407	29.1
298.27390	10.3
314.26984	2.9
336.71442	1.6
344.27563	2.0
516.47437	2.8
534.48926	18.4
552.49890	100.0
553.49878	7.1
570.50952	34.0
571.51331	2.3
574.97040	1.8
695.94995	1.8
733.70508	2.0
760.67889	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58084	0.4
69.91093	1.4
72.31462	0.4
74.09741	0.5
98.20760	0.6
110.37154	0.4
113.02198	0.6
150.71460	0.4
167.97346	0.5
180.77017	0.4
185.04341	0.5
200.35330	0.4
313.56912	0.4
320.25677	0.9
392.07977	0.4
482.31198	2.3
736.53339	100.0
737.53656	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	730.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27493	0.4
55.05513	2.4
56.05032	1.8
56.27525	0.5
57.03436	0.8
57.07075	1.6
60.04533	22.8
67.05508	3.1
68.05027	2.0
69.03431	0.7
69.07082	3.4
70.06596	1.6
71.04999	1.4
71.08641	0.7
72.04527	1.2
74.48961	0.5
79.05472	1.0
80.05009	0.6
81.06721	0.4
81.07069	4.5
82.06589	0.8
83.08613	2.0
90.05553	1.3
91.05486	0.7
93.07048	1.2
94.06582	1.8
95.08616	4.2
97.10179	1.0
98.06071	0.9
107.08607	0.9
107.63783	0.5
109.10162	1.6
119.08592	1.1
187.70929	0.5
212.23831	1.3
224.23727	0.7
226.25282	0.6
242.24799	18.5
250.25394	4.0
251.23660	1.0
252.26962	0.6
262.25278	1.1
279.78339	0.5
280.26361	9.0
298.27396	9.6
316.28485	100.0
317.28790	2.4
677.37286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22619	0.5
53.03943	1.3
55.01884	0.5
55.05513	1.7
57.03434	2.0
61.02930	5.0
67.05514	6.6
69.03444	3.5
69.07068	1.5
70.80972	1.7
71.05006	0.7
73.02922	4.9
74.15446	0.5
79.05495	4.2
81.03430	1.7
81.07066	5.9
83.08614	1.0
85.02914	6.3
87.04471	0.7
87.59967	0.6
91.03951	3.7
91.05482	2.5
93.07049	5.0
95.04981	0.6
95.08617	3.8
97.02898	5.0
99.04480	0.8
101.02384	1.8
105.07047	1.2
107.08593	2.6
109.02890	0.7
109.10147	0.8
113.11845	0.5
117.07051	0.9
119.08624	0.9
121.10186	2.3
123.11758	0.8
123.37260	0.6
125.73651	0.6
127.03943	1.3
131.08592	1.2
133.10126	1.0
135.11714	0.8
138.22470	0.6
139.34081	0.5
145.10165	0.7
149.13303	1.4
159.11748	0.6
184.07408	0.7
195.13937	0.5
198.01105	0.7
203.05446	0.6
235.13206	0.7
243.08524	1.8
328.82224	0.5
335.25732	0.7
453.21237	4.1
460.50116	0.5
519.29456	7.1
523.31287	0.5
582.31177	0.6
731.43439	100.0
732.43683	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	727.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
53.31945	0.1
55.01849	0.4
57.03443	0.6
59.04981	0.2
61.02929	0.9
65.03923	0.2
68.99791	0.7
69.03431	5.2
69.77268	0.5
70.06573	0.2
71.01322	0.1
71.05000	1.1
73.02893	0.3
81.03419	3.6
83.01336	0.5
84.08087	0.1
85.02908	4.7
86.09676	0.1
87.00835	1.9
87.04448	0.4
91.05475	0.1
93.03371	0.3
95.04936	0.2
97.02894	12.1
98.03173	0.2
99.04461	1.9
105.01869	1.0
109.02875	2.3
111.00809	1.0
111.04479	0.1
115.03922	0.3
121.02882	1.0
123.04428	0.2
127.03929	3.4
128.04111	0.1
131.04832	0.1
135.04376	0.2
137.02345	3.4
137.03395	0.2
141.01828	0.1
145.04961	4.4
149.02388	0.5
153.01831	3.4
155.04901	0.2
159.02873	0.3
161.05957	0.3
163.03908	0.7
165.01846	2.2
166.02602	0.3
173.05988	0.4
175.03952	0.1
177.05443	0.2
183.02876	0.9
183.04393	0.2
187.03911	0.3
191.03365	0.2
191.06989	0.1
195.02847	0.3
201.05475	1.4
205.04935	0.2
213.05646	0.1
215.03403	0.1
219.02896	0.2
219.06566	0.4
228.04137	0.2
229.04968	4.2
230.05481	0.1
231.05000	0.4
239.03398	0.1
241.04976	0.1
247.06017	0.8
257.04465	2.8
274.04794	0.8
275.05374	0.2
285.03952	1.5
286.04642	0.1
287.05478	0.1
303.04990	100.0
304.05356	3.0
315.04846	0.3
327.05066	0.1
381.05978	0.1
382.27609	0.1
479.08209	18.6
480.08481	0.9
691.89789	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03935	2.5
55.01860	2.3
55.05297	1.3
55.05515	14.3
57.03441	13.3
57.07077	2.7
61.02917	3.4
65.03928	2.3
67.05508	64.2
69.07068	19.6
70.07453	1.2
70.74482	2.9
70.74842	1.6
71.04987	3.7
77.61638	1.4
79.05497	40.2
81.03432	2.0
81.07061	76.2
83.04973	5.5
83.08610	11.0
85.02898	2.8
85.06512	2.7
91.05490	19.6
93.07050	55.5
95.04990	5.6
95.08610	29.7
97.06519	8.7
97.10173	2.1
99.08074	2.2
105.07038	11.6
107.08598	33.7
107.91534	1.0
109.06512	2.1
109.10161	12.3
111.08083	4.4
117.07045	6.1
119.08591	7.9
121.10149	19.8
123.08062	1.2
123.11697	2.7
123.92144	1.2
131.08568	11.3
133.10153	9.9
135.11726	12.6
139.11180	2.2
145.10112	3.8
147.11703	2.6
149.13271	25.6
149.37051	1.1
159.11711	12.7
161.13284	3.5
163.14867	1.5
165.12596	1.2
173.13274	3.0
177.12750	5.1
182.90128	1.6
187.14751	1.4
195.13841	8.9
243.21149	3.6
261.22177	9.8
267.15872	4.7
269.17490	100.0
270.17960	1.4
292.51126	1.3
317.24731	2.3
335.25803	53.1
335.29904	2.7
336.26080	2.3
454.00607	1.4
455.35175	2.1
529.38904	91.4
530.39233	4.8
547.39862	1.9
703.28613	1.2
727.92566	1.6
757.62683	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01855	2.9
55.05503	3.2
57.03431	4.5
61.02932	6.3
67.05511	5.8
69.03130	0.8
69.03434	9.4
69.06726	1.2
69.07072	18.8
69.29658	2.3
69.30082	4.2
70.06590	1.2
71.04988	1.1
73.02918	28.4
73.06544	2.5
74.01400	0.8
79.05490	5.3
81.03435	3.4
81.07052	9.5
83.04961	1.3
83.08604	1.2
84.08135	0.9
85.02430	1.1
85.02911	19.6
87.04460	1.8
91.03966	0.9
91.05480	5.8
93.07047	12.0
95.04971	2.3
95.08602	13.4
97.02901	10.4
97.06532	4.4
98.21469	1.2
99.08098	1.6
100.11227	0.9
105.07050	7.1
107.08604	6.7
109.02890	1.9
109.06531	9.7
109.10161	4.0
115.03908	4.8
115.05435	1.1
115.07574	10.5
117.06998	2.7
119.08575	8.2
121.06487	7.4
121.10122	5.3
123.11740	1.0
125.09634	1.5
127.03914	4.7
127.11195	1.5
128.06232	2.1
129.07019	4.4
131.08575	14.6
133.04944	2.4
133.10146	8.5
135.11703	1.1
137.06021	0.7
137.09660	0.8
139.03871	1.1
139.07550	9.2
141.06992	2.5
142.07744	3.1
143.08565	13.8
145.04991	3.5
145.10118	14.6
147.08032	1.2
147.11700	4.3
149.09689	1.4
149.13286	5.2
151.11122	1.1
155.08563	8.5
157.10124	15.7
159.07941	0.9
159.11702	8.5
161.09656	2.5
161.13257	2.8
163.11220	1.3
165.07007	1.9
166.07666	1.0
167.08546	2.6
167.10681	8.3
168.09323	1.3
169.10153	10.6
171.11702	7.5
173.09636	3.4
173.13260	1.4
175.11180	5.1
179.08519	1.7
180.09343	2.0
181.10100	7.3
182.10950	0.7
183.11690	9.8
185.13249	6.3
187.11165	3.4
187.14861	1.4
189.12740	1.0
192.09270	1.1
193.10115	1.7
195.11710	12.6
196.12396	1.0
197.13307	4.4
199.11160	0.9
199.14821	2.9
201.16478	1.1
207.11697	2.3
208.12511	0.7
209.13287	10.2
210.13986	3.2
211.14828	4.4
212.52432	0.7
213.12776	1.0
213.16483	1.5
221.13289	1.8
222.14075	1.9
223.14778	6.0
225.16405	5.5
227.14259	1.7
227.17944	1.1
228.15315	0.7
235.14737	0.8
236.15585	5.1
237.16588	0.7
241.15869	1.5
241.19460	4.2
249.16374	1.9
251.17953	49.1
252.18301	1.5
253.19531	3.1
255.16072	1.0
267.17487	2.2
269.19000	100.0
270.19370	2.5
271.20612	2.5
281.19141	1.5
281.22635	4.3
287.20065	35.5
293.19061	1.1
299.23740	2.9
347.20157	1.0
365.21078	1.7
377.28458	1.9
383.22202	2.9
395.29446	6.3
401.23157	5.0
413.30566	7.2
419.24332	30.5
420.24515	1.9
431.31546	6.6
545.34918	1.0
563.35785	22.2
680.51154	0.8
725.40778	7.2
725.52039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.05510	20.0
57.03422	5.3
57.55195	2.1
60.76152	2.3
60.94736	2.2
65.03922	4.2
66.42641	2.3
67.05170	4.5
67.05508	70.5
69.03433	9.1
69.07083	15.6
70.81210	7.1
71.05001	16.0
79.05498	35.1
81.03408	16.1
81.07063	100.0
83.04990	20.1
83.08620	7.4
85.02913	2.6
85.06537	8.2
91.04955	3.9
91.05484	35.8
93.07044	45.7
95.04969	7.7
95.08611	33.6
97.02889	3.5
97.06551	4.9
97.08622	2.6
98.37172	2.6
105.07036	22.0
107.08599	21.4
109.02851	2.8
109.06487	3.4
109.10130	11.7
111.04423	3.8
117.07008	9.1
118.28403	2.6
119.08613	14.0
121.10168	16.9
123.11729	14.7
124.68748	2.3
129.05505	5.2
129.07016	5.4
130.27200	2.4
131.08569	16.1
133.10132	18.9
135.11697	9.4
143.08623	3.7
145.10141	7.3
147.11693	9.1
149.13210	8.7
151.11200	6.0
157.10094	5.6
159.11723	7.9
161.13277	4.2
165.12770	2.6
171.11737	2.9
173.04460	6.2
173.13310	3.0
177.12744	5.2
179.14130	2.9
183.13776	4.1
185.13280	2.8
187.13281	9.1
195.13826	3.5
201.14865	2.9
215.70602	2.5
234.01852	2.4
243.15775	3.0
257.17612	3.1
261.22000	4.1
269.17532	6.8
290.44354	2.7
299.18988	2.9
310.73526	2.7
335.25864	24.0
338.13638	2.3
369.24030	3.2
384.90698	2.5
445.24503	5.1
461.29532	2.8
503.37405	38.0
505.38858	9.3
517.38770	6.3
529.38763	10.1
561.41595	38.7
562.42096	3.2
647.41333	4.1
673.43182	6.6
705.45447	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	723.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68188	2.3
51.87852	2.3
53.03933	7.2
55.05511	18.9
57.03434	8.0
65.03934	4.7
67.05509	73.0
68.15002	2.4
69.03428	9.5
69.07075	16.9
71.05002	19.5
71.40855	5.1
79.05495	39.9
80.85504	2.5
81.03436	18.5
81.07066	100.0
83.04996	17.9
83.08606	7.6
85.06536	9.5
89.86701	2.8
91.05481	41.0
93.07057	39.1
95.04938	7.8
95.08604	35.9
97.06535	4.2
97.10172	2.8
103.05357	2.7
105.07040	20.0
107.08609	25.1
109.06503	3.7
109.10151	17.7
111.04420	5.7
111.08111	2.9
117.07025	7.7
118.71033	2.5
119.08603	16.2
121.10176	18.3
123.08089	3.9
123.11699	9.6
127.03922	4.4
129.05461	7.0
129.07031	3.5
131.08597	16.7
131.29356	2.3
133.10144	22.1
135.08084	4.3
135.11717	9.5
142.31810	2.6
142.48083	2.5
143.08553	3.0
145.10138	8.7
147.11711	10.3
149.13226	8.4
151.11174	5.8
157.10127	5.3
159.11696	14.2
164.80331	3.3
173.04466	5.7
173.13284	4.8
177.12759	4.6
187.13292	7.9
187.14827	2.8
195.13860	6.2
243.15950	5.4
269.17474	9.2
301.20300	3.0
335.25754	24.3
369.24100	4.0
445.24664	3.2
461.28998	3.0
503.37341	44.3
505.38766	12.0
517.38965	6.3
529.38770	6.8
561.41571	35.5
655.42126	3.0
705.45233	7.4
714.48889	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	719.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42925	0.3
57.16717	0.4
59.44489	0.4
70.74099	1.0
85.02911	0.4
87.95148	0.3
96.34856	0.4
152.18115	0.3
173.91658	0.3
193.86157	0.3
201.82245	0.4
326.94424	0.4
507.91330	0.4
525.12201	30.1
526.12543	0.9
531.00507	0.4
719.17944	100.0
720.18219	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	719.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36975	0.7
52.96930	0.5
70.94649	1.2
85.02881	0.7
85.29112	0.6
86.09734	1.0
90.82587	0.6
97.02892	0.6
107.00279	0.6
219.01755	0.7
221.63393	0.6
237.02835	0.6
525.12183	24.9
719.17969	100.0
720.18060	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	721.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.1
54.68297	3.4
55.05519	23.0
55.50463	3.0
57.03434	8.9
65.03933	4.6
67.05503	70.0
69.07056	12.7
70.22770	15.2
75.36832	3.9
79.05490	76.6
81.03422	8.7
81.07065	56.1
83.04977	9.4
83.08620	8.8
91.05491	48.7
93.07050	73.8
95.04966	16.7
95.08607	35.5
97.06488	5.1
105.04519	3.7
105.07029	33.8
107.08603	23.9
109.06499	5.9
109.10133	11.2
117.07011	11.8
119.08611	23.3
119.58064	3.7
121.10149	15.1
123.08041	5.5
123.11831	3.5
128.06192	5.0
129.06992	13.6
131.08578	7.5
133.10121	11.2
135.11719	9.0
143.08559	9.9
145.10097	12.8
147.11679	32.1
149.13290	5.7
154.59818	3.8
159.11673	5.1
161.13179	9.1
163.77373	3.4
166.74501	3.5
171.11719	17.6
187.14977	3.6
189.12767	5.7
195.01822	3.5
201.89391	3.5
207.13841	18.9
261.22208	9.8
279.15762	4.1
281.17508	69.0
335.25778	25.3
541.38849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.1
55.05519	2.0
56.05039	4.6
58.06348	0.9
58.06607	11.8
58.99587	8.4
65.03928	2.6
67.05486	3.7
68.05020	2.5
69.03422	3.0
69.07067	1.6
70.06247	1.0
70.06599	12.5
71.46655	1.2
72.08146	2.0
73.01141	12.5
74.00661	1.7
74.02451	4.2
75.02679	0.9
76.01826	1.2
76.02234	15.1
76.03986	1.7
79.05483	1.4
80.05029	1.2
81.03387	0.8
81.07063	1.0
82.06574	2.8
83.06087	0.9
84.04510	100.0
84.08147	6.9
85.02907	2.4
86.09700	3.9
86.99048	2.1
95.01324	1.2
95.04976	0.9
96.07549	1.5
96.08135	21.8
99.02683	43.8
101.04255	4.6
102.05534	1.2
112.03967	19.4
114.03737	1.2
116.01686	14.2
116.05325	58.6
116.07086	14.8
120.08076	1.2
124.07589	20.3
125.06047	1.5
126.03728	2.1
126.09116	3.4
127.02135	2.1
127.03886	1.2
129.06590	1.8
129.10257	2.3
130.05016	10.5
136.07576	1.0
142.03220	9.4
142.04993	1.0
142.08632	13.5
144.01157	3.9
144.04749	3.7
147.47014	1.0
160.00658	2.9
162.02223	10.4
170.02658	2.7
170.08134	80.6
179.04874	26.3
179.06482	1.5
182.06357	2.3
183.05798	1.1
199.05353	1.2
202.05338	47.4
215.05620	1.0
219.07994	76.2
220.08228	1.0
229.06410	2.6
245.05931	5.9
245.09639	7.4
255.08005	1.0
273.09018	15.5
291.06448	4.0
330.11188	4.5
331.09314	1.1
348.12247	82.6
349.12396	3.0
362.10977	0.9
394.73407	0.9
717.48529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.1
55.05507	2.9
56.05038	7.0
58.06603	10.9
58.99591	8.0
65.03934	2.6
67.05504	3.5
68.05036	2.6
69.03418	3.3
69.07067	1.8
69.91620	1.7
69.92012	2.6
70.06601	24.9
72.08148	4.5
73.01144	12.3
74.00659	2.5
74.02440	4.8
74.06068	0.9
75.02695	1.6
76.02235	16.5
76.03998	2.0
79.05500	1.7
79.57273	0.9
80.05045	1.4
81.07043	2.2
82.06570	3.6
83.06106	1.9
84.04510	100.0
84.08138	7.3
85.02891	3.1
86.06092	1.3
86.09708	8.7
86.99031	2.3
88.02213	1.0
88.04005	1.2
89.07216	0.9
91.05464	1.6
93.07043	1.9
94.06518	0.9
95.01304	1.7
95.04979	1.0
95.06096	1.0
95.08592	1.3
96.07561	1.4
96.08144	21.2
97.02868	1.1
98.06050	1.0
98.09689	1.3
98.20836	1.9
99.02688	41.7
101.04263	4.3
102.05561	2.1
107.08596	1.2
109.02888	1.8
109.10120	1.0
110.21732	0.8
112.03974	21.3
112.08729	1.9
114.03774	1.2
115.08689	3.1
116.01701	11.5
116.05329	57.8
116.07079	13.7
117.05647	1.1
120.08134	6.1
121.06484	2.1
124.07599	17.9
125.06005	1.9
126.03695	1.8
126.09142	4.7
127.02139	2.0
127.03935	1.4
129.06624	1.6
129.10219	3.0
130.05009	12.7
136.07561	1.5
138.06621	1.0
141.10231	2.3
142.03230	6.7
142.08643	15.4
144.01140	5.5
144.04817	2.9
145.03188	1.3
146.05966	1.0
152.07027	1.5
153.10309	1.1
155.08195	1.0
160.00676	3.4
162.02222	10.7
169.09747	2.8
170.08138	82.2
172.04201	1.2
177.03433	1.1
177.05409	1.2
179.04871	29.0
182.06392	3.5
183.05884	1.2
183.12440	1.8
188.03882	0.9
199.05522	1.0
199.07219	1.6
202.05341	48.2
211.11937	7.3
213.08672	1.7
219.08006	80.9
220.08276	1.1
227.08542	0.9
227.11523	1.1
228.14610	1.3
229.06396	3.0
235.10783	1.6
245.05910	5.8
245.09550	6.3
255.08282	1.5
255.10872	1.2
271.18887	1.7
273.09045	16.5
273.11829	1.8
274.04010	1.2
291.06448	2.6
326.14474	2.3
330.11124	4.6
331.09726	1.6
334.50113	1.0
334.54636	1.0
343.17297	2.7
348.12265	91.7
349.12534	2.5
533.27521	0.9
583.49622	1.0
605.26855	18.2
690.35376	1.5
718.35291	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	715.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16996	0.7
55.05482	0.8
59.98309	0.7
70.93899	0.8
70.94258	1.9
91.05468	0.9
93.16260	0.7
98.77791	0.6
104.50533	0.8
113.04270	1.7
122.52357	0.8
126.14707	0.8
137.09662	0.8
177.05478	1.2
254.37280	0.8
297.65820	0.8
300.55872	0.7
440.18271	0.9
715.33020	100.0
716.33344	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	718.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.5
55.05515	1.7
56.05046	3.6
58.06350	0.7
58.06609	11.0
58.99594	9.3
61.01165	1.1
63.12553	0.7
65.03944	1.5
67.05501	3.1
68.05042	2.6
68.88029	0.7
69.03439	1.9
69.07075	1.2
69.96799	1.8
69.97192	1.5
70.06598	11.4
72.08150	1.1
73.01144	13.5
74.00671	1.2
74.02437	4.8
76.02232	17.0
76.04002	1.7
78.55544	0.7
79.05541	0.8
82.06590	3.9
83.06115	1.8
83.07365	1.8
84.04510	100.0
84.08150	4.5
85.02901	2.1
85.04829	1.0
86.09718	2.4
86.99066	3.0
88.02193	0.9
96.08143	22.1
97.53269	0.7
98.09641	0.8
99.02685	42.9
101.04249	6.6
102.05494	0.8
104.98336	1.0
112.03975	21.5
112.04754	1.3
113.09322	0.7
114.03746	1.0
116.01684	13.7
116.05326	61.4
116.07087	16.8
124.07600	19.4
125.06026	1.1
125.07948	0.9
126.03756	1.9
126.09174	4.3
127.02159	2.6
129.06612	2.1
130.05002	10.2
142.03236	10.8
142.04990	1.1
142.08644	13.5
144.01158	5.3
144.04817	3.5
145.03217	1.4
153.05492	1.0
160.00668	3.3
162.02229	9.9
170.02748	2.0
170.08138	87.5
170.35977	0.7
171.08528	1.3
172.04321	0.9
179.04865	28.9
182.06401	3.5
183.05856	1.5
197.39474	0.8
199.05455	0.8
202.05330	50.0
215.05560	1.1
219.07999	73.7
220.08441	1.2
229.06482	2.4
245.05925	6.0
245.09528	7.2
246.49812	1.0
255.08073	1.2
273.06006	1.4
273.09024	12.6
291.06555	3.6
302.11923	1.0
330.11200	5.4
331.09631	1.1
348.12259	96.9
349.12479	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	714.5516
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03947	1.4
53.29720	0.5
55.05307	0.5
55.05519	6.3
56.05044	3.9
56.05272	0.8
57.07086	3.1
58.06575	0.8
60.04509	2.2
67.05513	12.1
69.03419	1.5
69.07076	8.0
69.37138	5.0
70.06602	2.7
71.04965	0.6
71.08632	1.5
74.59823	0.6
76.00529	0.7
79.05504	10.2
80.05031	3.6
81.03438	0.7
81.05787	1.5
81.07065	10.5
82.06591	7.7
83.08617	3.3
85.02904	2.0
91.05491	8.2
93.07054	10.7
94.06577	18.3
95.04997	1.0
95.06834	0.6
95.07363	8.2
95.08612	7.6
96.08134	4.7
97.02876	1.6
97.10159	2.4
98.20706	1.1
105.07047	5.5
107.08601	4.9
108.08138	3.3
109.06505	0.5
109.10148	3.4
110.09734	0.6
119.08602	5.8
121.10155	5.2
122.09673	2.2
123.11758	1.2
127.03889	0.5
133.10155	3.2
134.09705	0.7
135.10606	0.6
135.11723	3.5
136.11249	0.8
137.13243	0.7
147.11739	1.4
149.13220	0.8
161.13287	0.6
163.14813	0.7
219.21088	1.4
233.22612	4.0
245.22672	4.3
250.25327	7.4
254.24785	0.7
262.25330	100.0
263.23358	0.8
263.25751	2.1
272.25873	6.0
280.26419	7.8
442.32199	1.0
487.03232	0.7
504.47632	5.1
516.47803	28.7
517.48248	2.0
518.49158	5.0
534.48853	17.2
535.48950	0.7
596.12531	0.7
696.53973	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.9
61.64431	0.8
65.03934	1.9
67.05487	0.9
69.03418	1.0
69.07072	1.5
70.06599	4.8
71.05058	1.2
71.55566	1.5
72.08186	1.9
73.01132	1.0
76.02225	1.2
77.91444	0.8
79.05506	1.4
81.03394	0.9
81.07036	1.0
82.68698	0.7
84.04527	4.9
84.08140	2.2
84.25632	0.8
85.02898	2.1
85.04858	0.9
86.09704	2.1
91.05485	41.8
95.04964	7.8
95.08623	0.9
96.08134	1.0
97.02905	1.0
98.97594	0.9
99.02689	1.8
104.98318	1.1
105.07033	1.0
107.08677	0.9
113.04253	1.2
115.05457	3.5
116.05297	2.5
116.07116	1.0
117.07007	1.0
119.04955	31.9
119.08599	1.3
120.08125	1.5
123.08083	1.4
124.07583	1.2
127.03957	1.5
129.10138	0.9
132.05705	5.2
135.04451	1.0
136.05212	5.0
137.06003	4.5
143.04956	1.7
145.06511	1.2
147.04381	1.1
151.07552	100.0
156.94499	0.9
160.05202	8.1
170.03615	1.2
170.08131	3.6
171.04401	2.8
171.08482	0.9
174.03151	1.8
175.07562	2.0
177.05510	1.6
179.04878	1.2
188.04694	3.8
192.04164	3.0
194.08150	7.7
198.03157	4.2
202.05299	1.9
205.06499	3.7
207.06400	1.8
207.08096	4.2
213.04132	1.2
216.04207	5.3
219.01636	1.9
219.08000	2.9
220.03667	2.2
220.08328	0.8
222.06941	1.0
224.08392	1.5
231.06538	82.9
232.05110	8.1
233.06007	5.1
235.07584	6.6
237.02937	2.3
237.09053	1.3
241.03632	2.0
249.05478	2.6
250.06303	4.4
251.07007	1.0
252.07823	2.4
256.06052	2.0
260.04684	32.4
261.05344	4.0
263.07202	1.9
264.07822	3.3
265.08527	3.9
267.10092	4.1
274.07147	8.5
275.07117	0.9
278.05750	6.3
279.06680	1.5
280.07565	0.9
282.08597	0.9
286.07083	1.6
288.04092	3.9
292.07120	1.3
293.08093	11.1
294.08691	1.0
295.06033	1.3
295.09387	1.0
300.08432	1.2
306.05222	9.5
310.04871	1.5
310.08444	2.3
312.09821	1.7
321.07584	74.8
322.07898	2.0
323.05518	1.0
325.10617	1.2
327.12311	1.8
338.07791	2.6
343.11798	1.9
348.12177	1.9
349.12674	1.6
350.04434	0.9
353.10214	78.2
354.10590	2.0
365.52615	0.9
424.13913	84.7
425.14310	2.9
434.61932	0.9
520.19751	30.0
521.20020	1.1
548.19177	17.0
549.18909	0.9
654.76044	1.2
714.80493	4.0
715.29065	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	714.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	26.9
57.03438	15.7
67.05507	72.8
69.07057	21.1
71.04990	9.1
71.56226	12.8
79.05494	51.9
81.07057	100.0
83.08643	10.7
91.05486	38.2
93.07053	50.0
95.08606	60.2
97.10172	10.2
105.07050	44.3
107.06982	8.8
107.08598	32.6
109.10176	22.1
119.08579	31.5
121.10155	28.4
123.11718	7.8
129.07051	8.3
131.08592	23.1
133.10139	26.7
135.11679	18.1
143.08601	8.5
145.10121	23.8
147.11682	21.0
161.13257	10.9
165.12779	15.8
185.13393	8.2
229.14394	9.6
239.16473	17.8
259.20609	13.3
260.94894	7.4
261.22302	9.8
335.25809	64.0
345.79938	7.3
425.34125	20.7
489.35681	13.4
499.37610	30.2
517.38928	87.7
714.41614	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05514	6.4
56.05055	4.0
57.07072	3.4
60.04514	2.6
65.03928	1.0
67.04230	0.9
67.05173	0.8
67.05512	12.9
68.05044	0.9
69.03439	1.3
69.07073	7.9
70.06583	1.4
71.08630	1.4
71.26385	0.6
79.05502	9.6
79.56475	0.5
80.05029	3.2
81.05795	1.5
81.07068	10.1
82.06583	7.3
83.08632	5.1
85.02889	2.0
85.10157	0.5
91.05486	9.9
93.07050	8.9
94.06578	18.2
95.04992	1.1
95.06817	1.0
95.07359	9.5
95.08613	7.3
96.08136	5.1
97.02902	0.7
97.10185	3.1
105.07034	4.9
107.08582	5.4
108.08141	3.5
109.10197	3.3
111.11739	0.8
119.08578	5.1
121.10155	5.7
122.09676	2.5
123.11694	1.0
127.04005	0.6
133.10141	2.9
135.10460	1.2
135.11705	2.9
136.11221	1.5
138.73265	0.6
143.64983	0.7
147.11685	0.8
149.13310	0.9
153.80536	0.6
153.96605	0.6
163.14793	0.6
165.95763	0.6
174.39374	0.6
183.98140	0.5
219.21133	0.9
232.91234	0.6
233.22621	3.2
245.22668	5.8
250.25330	7.1
254.24759	0.9
262.25323	100.0
263.23404	1.0
263.25696	1.7
272.25882	7.0
278.46964	0.6
280.26340	7.9
285.38947	0.7
368.31555	0.8
409.92953	0.6
504.47775	4.7
516.47791	31.8
517.48242	1.3
518.49310	4.7
534.48865	16.9
535.49225	1.0
696.54016	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	714.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	32.6
57.03444	19.1
67.05513	88.3
69.07066	34.8
69.53923	53.1
79.05512	56.7
81.07069	100.0
83.08598	12.8
91.05496	44.3
93.07059	66.8
95.04955	7.7
95.08614	70.8
97.06548	8.7
105.07063	41.5
107.08622	32.6
109.06512	8.7
109.10159	30.8
117.07026	13.2
119.08588	54.7
121.10154	30.4
123.11732	11.9
131.08583	18.0
133.10112	26.9
135.11729	23.9
143.08585	7.8
145.10133	27.2
147.11687	35.5
149.13263	11.9
159.11757	8.8
161.13272	12.8
163.90717	7.7
165.12762	10.5
173.13342	18.4
185.13376	9.3
199.24677	8.3
200.82640	9.7
205.65866	9.5
229.14473	11.9
239.16429	38.0
245.44737	8.4
335.25735	54.1
364.36383	8.7
425.34103	24.4
435.10068	9.0
443.35291	18.9
499.38101	42.9
501.14673	8.7
517.38892	77.2
714.41290	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	711.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78020	0.2
55.05523	0.2
56.05027	0.4
57.05825	0.2
57.09475	0.2
58.06582	0.3
69.03461	0.3
69.07069	6.0
70.06595	2.2
72.08138	0.6
84.04510	2.6
84.08136	0.6
85.02906	0.5
86.09708	100.0
87.05597	1.4
87.10048	0.9
89.97183	0.2
98.06069	0.8
98.09670	1.1
98.21483	0.7
101.07140	0.9
109.02882	0.3
112.11294	0.3
115.05046	2.1
120.08096	0.5
126.09145	0.2
129.06599	1.0
136.07625	0.3
141.06577	2.2
143.11784	1.2
153.01996	0.2
154.15930	0.3
155.11800	1.0
157.13373	1.7
158.09270	0.5
171.11298	4.3
181.09618	0.3
181.13370	0.5
183.11316	1.0
185.12868	1.1
186.08743	3.2
189.12357	3.2
195.11404	0.2
197.12846	6.5
199.10779	0.6
209.12880	2.2
223.14412	0.3
225.12350	1.9
228.13457	3.8
229.45398	0.3
237.12372	1.5
239.17700	0.5
242.15047	0.8
245.16162	0.3
251.13794	0.2
254.12518	0.2
254.15070	0.9
256.13025	0.4
260.16138	0.6
267.17154	0.4
271.17621	2.9
273.22040	0.2
292.92816	0.2
299.17145	5.2
300.17355	0.2
310.21259	4.7
311.17123	2.4
311.20587	0.3
311.22131	0.2
317.18289	0.5
322.21393	0.6
338.20743	8.4
339.16669	0.9
339.20694	0.2
364.22571	0.2
367.23566	0.5
374.20294	1.2
379.23303	0.7
384.25967	0.3
395.22919	6.4
407.23062	0.5
410.20468	0.6
412.25620	0.7
424.25552	3.8
425.25995	0.2
452.25040	32.1
453.25305	1.1
478.26447	0.4
487.29163	1.0
495.29285	3.4
523.28754	23.0
524.28967	1.1
636.36633	0.7
693.38562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69466	2.4
53.03936	3.7
55.01875	12.9
55.05518	20.1
57.03446	13.4
57.07055	2.3
61.02939	2.6
65.03911	2.7
67.05510	59.7
69.07079	18.1
70.44708	2.4
71.05018	2.2
71.30190	3.9
79.05499	47.5
79.25704	2.2
81.07062	51.1
83.04993	22.3
83.08620	9.6
85.02868	4.4
85.06548	2.9
90.94907	2.1
91.05489	22.5
93.07049	63.5
95.04973	5.8
95.08611	39.8
95.09174	4.1
97.06528	16.0
97.10153	4.0
105.07021	15.8
106.07382	2.1
107.04969	2.3
107.08607	35.0
109.09487	2.1
109.10135	13.1
111.08095	5.9
117.07020	5.9
119.08587	15.0
119.33060	1.9
121.06514	2.2
121.10144	21.2
123.11742	4.3
125.09679	2.7
131.08556	7.5
133.10110	9.7
135.11710	42.8
145.10129	10.1
147.11723	3.3
153.12753	14.2
159.11667	3.6
161.13260	4.2
163.11179	4.8
163.14816	2.9
164.06876	2.5
173.13260	3.6
181.12199	12.8
187.14789	2.0
189.11063	1.9
207.48598	2.0
227.12767	3.3
243.21208	5.1
255.15953	76.7
261.22168	9.1
297.18384	2.4
335.25833	100.0
335.29904	4.8
336.26151	6.2
370.33621	2.2
423.32370	2.6
515.37366	84.8
623.27502	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	711.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
54.82819	0.1
55.01871	0.3
57.03444	0.6
59.04993	0.1
61.02935	1.0
65.03943	0.1
67.01878	0.1
68.99796	0.6
69.03434	5.1
70.06576	0.2
71.01362	0.2
71.04999	0.9
71.55534	0.1
72.96676	0.1
73.02922	0.3
73.25196	0.1
79.05520	0.1
81.03424	3.1
83.01343	0.3
85.02913	4.4
86.09693	0.1
87.00838	1.6
87.04473	0.4
95.04981	0.1
97.02898	10.0
99.04460	1.7
99.08126	0.1
101.02470	0.1
105.01876	0.8
105.03386	0.2
105.07023	0.1
107.04974	0.3
109.02216	0.1
109.02892	1.7
111.00816	0.6
115.03938	0.3
119.05032	0.1
119.08564	0.1
121.02867	2.4
127.03928	3.1
129.10234	0.1
133.02846	0.5
135.04405	0.1
137.02383	0.6
137.09734	0.1
145.04968	3.8
147.04402	0.5
149.09653	0.1
153.01839	3.2
157.06497	0.4
159.02907	0.2
161.05907	0.1
163.11169	0.1
165.01857	1.7
171.04466	0.3
173.40404	0.1
183.02866	0.9
185.06000	0.3
189.05481	0.2
197.06012	0.1
203.03416	0.1
203.06993	0.1
204.40919	0.1
207.13858	0.4
213.03741	0.2
213.05516	1.4
225.14806	0.1
231.04878	0.2
231.06877	0.5
241.04997	0.9
258.05258	1.2
259.06033	0.4
269.04517	0.2
287.05508	100.0
288.05835	2.6
297.12604	0.1
299.05627	0.1
313.11713	0.2
351.67776	0.1
463.08734	16.2
464.09222	0.6
549.17206	0.3
704.31409	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	710.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
53.61161	2.3
55.05523	13.6
55.66302	1.9
57.03448	10.5
57.07063	2.1
61.02920	1.8
65.03921	3.2
67.05182	3.7
67.05511	58.6
69.07072	10.2
69.32899	6.9
69.33326	10.7
74.47760	1.8
79.05067	2.2
79.05499	29.4
81.07069	42.4
83.04996	3.8
83.08633	7.2
83.29839	2.2
91.05491	77.7
93.07056	27.0
95.04948	6.5
95.08608	30.5
97.06533	2.9
97.10136	2.3
105.07037	37.4
107.08585	19.0
109.06494	2.3
109.09499	2.3
109.10145	15.3
117.07013	6.8
119.03429	2.2
119.08604	12.2
121.10185	10.3
123.11778	3.5
131.08571	8.9
133.10143	88.5
134.10373	2.4
135.11697	9.6
143.08528	5.2
145.10110	3.6
147.11661	4.9
149.13254	5.0
151.11183	5.3
159.11729	2.0
161.09703	14.6
161.13275	2.6
179.10698	2.4
194.25737	2.7
197.11810	3.6
243.21101	3.6
253.14368	50.2
253.16840	3.9
261.22064	9.4
270.21832	2.2
335.25824	100.0
336.26239	2.9
365.67911	2.1
513.35803	75.8
514.35895	4.7
531.37109	2.4
612.47021	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	707.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63773	0.4
67.99128	0.4
69.03416	0.5
69.28051	3.9
73.68387	0.4
80.32469	0.3
82.45651	0.4
82.99873	1.0
85.02901	1.1
85.07098	0.4
97.02887	0.8
98.97587	0.7
101.00890	3.8
112.89664	0.5
113.00846	0.9
116.16742	0.4
116.98707	0.4
119.01929	10.3
122.10728	0.4
126.83655	0.4
127.02439	0.8
131.01913	5.1
131.51978	0.5
137.01904	1.8
137.02953	1.1
139.02440	0.5
140.73407	0.4
143.01897	15.4
143.51988	0.5
145.03477	7.2
147.01393	0.8
149.01895	0.6
152.02386	1.6
152.52415	0.5
155.01884	8.4
157.03479	3.3
158.02444	0.7
161.02974	17.5
163.04442	0.9
164.02396	0.7
164.52614	0.4
167.01872	5.6
167.03069	0.6
169.03459	2.3
171.05032	1.3
173.02971	16.4
173.53093	0.6
174.03111	0.6
175.04524	1.2
175.97711	0.4
179.01830	2.2
181.03580	0.4
185.02972	32.5
186.03192	0.7
187.04526	3.4
191.03929	1.1
194.03540	0.6
197.02959	12.4
199.04520	0.9
201.00679	0.5
203.04044	10.9
203.54112	0.7
204.04327	0.4
208.04510	0.6
209.02919	1.0
212.04457	0.4
212.85136	0.9
215.04016	7.7
221.05127	1.0
224.04597	1.1
227.04012	6.9
235.91351	0.4
239.03990	0.8
245.05086	100.0
246.05249	2.6
257.05106	5.0
263.06143	11.6
269.05124	0.5
275.06134	11.4
276.06256	0.5
283.06714	1.1
283.56943	0.8
284.06686	2.9
284.56808	0.5
286.07782	0.9
287.06155	0.9
293.07144	3.1
305.07199	10.0
317.07230	0.7
335.08224	4.3
347.08261	0.9
364.09567	0.8
364.59537	1.2
364.86194	0.5
365.09314	40.4
365.59436	0.7
366.09506	1.3
376.54706	0.5
382.96762	0.6
383.10507	3.0
406.11832	0.7
407.10303	0.9
425.11429	33.7
426.11508	1.4
437.11533	2.2
455.12509	2.2
485.13483	0.8
527.11987	0.6
545.13458	0.7
707.18616	5.4
710.33911	0.5
724.47571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22956	0.4
69.03442	0.4
70.24354	1.0
70.24752	0.8
83.26205	0.4
85.02929	0.8
86.54681	0.4
91.23430	0.4
91.52427	0.4
94.21931	0.4
94.93028	0.6
97.02917	0.5
98.97615	0.5
137.80843	0.5
164.25368	0.4
182.03488	0.5
191.03949	1.1
200.04457	0.6
210.48767	0.5
212.85271	2.0
219.01842	1.0
281.07022	2.1
281.57184	1.2
314.20447	0.5
344.99011	1.7
362.09720	1.6
362.59964	1.7
362.94916	1.4
362.99973	3.9
363.06729	2.3
381.07727	3.0
525.12213	5.4
543.13275	16.9
587.14954	0.5
705.18524	100.0
706.18860	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	701.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.5
69.61411	1.7
70.06589	0.3
81.03419	0.3
81.07070	0.6
85.19159	0.2
90.13155	0.3
91.05490	0.3
93.07044	0.3
95.08605	0.7
105.07030	0.4
107.03926	0.3
107.08548	0.3
162.03040	0.3
169.10127	0.2
173.26396	0.3
183.11813	0.4
185.04283	0.6
203.05295	1.9
259.07977	1.3
321.22763	0.4
347.09457	1.2
365.10608	2.8
415.85980	0.3
421.13083	1.0
539.31897	18.4
540.31982	0.4
636.25885	0.7
638.26544	1.2
655.05591	0.4
660.73083	0.3
701.37195	100.0
702.37457	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	703.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01869	1.0
55.05511	1.7
57.03450	0.7
67.05507	3.9
69.07072	1.3
69.57563	1.2
69.57986	2.7
70.28813	0.5
71.04996	1.1
79.05493	3.1
81.07064	3.1
83.05016	0.7
83.08614	0.7
87.83521	0.5
91.05501	2.7
92.05807	0.7
93.07038	3.0
95.04963	1.5
95.08631	2.3
96.15369	0.6
97.06516	0.7
105.07022	2.9
107.08601	2.1
109.06509	0.7
109.10188	1.2
111.08169	0.6
117.07037	1.6
119.08590	1.9
121.06561	0.9
121.10179	1.3
123.04485	0.6
129.06993	1.4
131.08623	2.0
133.10152	2.0
135.11639	0.7
143.08604	1.4
145.10162	1.7
147.11694	1.5
157.10193	1.0
159.11719	1.2
163.11096	0.7
171.11787	1.0
173.13341	1.0
187.14868	0.7
210.60780	0.6
261.22348	0.6
269.16718	0.6
295.01422	0.6
351.14383	0.7
379.19150	0.8
391.19150	1.3
392.19971	0.8
393.21051	1.1
405.16565	2.9
406.17599	1.2
407.22415	5.9
419.18109	4.3
420.19421	2.3
421.20129	3.6
423.22116	0.9
432.19278	0.8
433.20163	7.3
434.21103	6.2
435.21783	8.5
436.22675	0.7
447.22110	2.4
448.23050	1.0
449.19565	4.5
459.22043	2.0
460.22443	1.0
461.24026	1.3
462.20502	2.0
463.21405	3.3
464.22333	0.8
465.22797	0.7
475.21167	0.7
476.21783	0.9
477.23160	1.1
479.21130	0.7
489.23074	1.1
493.22290	1.1
509.26279	0.7
521.25537	15.2
522.25824	1.0
547.27222	1.1
549.25159	8.4
550.25739	1.3
555.21210	1.0
556.21490	1.8
557.22113	1.5
563.26556	1.6
569.22345	0.9
579.26318	0.8
580.26160	0.8
581.27551	5.3
609.27411	2.9
623.27710	0.8
643.25787	9.8
644.26031	1.2
685.39960	1.6
703.28009	100.0
703.39233	4.1
704.28375	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	701.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86147	0.6
69.07024	0.6
69.80764	3.7
70.06596	1.7
73.71210	0.6
93.57124	0.7
97.06622	0.6
98.20766	0.7
113.04237	0.8
151.07735	0.8
263.12207	0.6
387.16187	1.1
389.17383	0.9
391.19482	0.8
393.20758	1.8
401.17783	1.1
403.19196	2.2
405.16812	1.1
415.15118	0.8
416.16190	1.7
417.21469	3.3
419.22565	2.9
420.19635	1.2
421.20197	1.4
429.16711	1.2
430.17841	1.2
431.18845	2.9
432.19333	1.1
441.16953	0.9
444.19803	1.3
445.20090	8.0
446.20956	2.3
447.22000	2.1
448.18921	1.1
449.19934	1.6
461.19977	0.9
462.20407	1.1
463.21320	1.4
473.19775	14.2
474.20404	6.0
475.21548	6.3
487.21481	2.3
501.23685	1.1
503.21353	1.3
507.24323	1.2
517.22534	1.6
533.21344	7.4
535.23474	5.2
545.21521	1.4
549.24860	2.1
560.24017	1.5
561.24933	22.2
577.24554	2.1
588.23834	2.4
592.26428	1.1
595.25519	1.6
605.23358	0.9
620.26312	100.0
621.26624	4.6
637.26660	8.1
638.27887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73915	0.7
62.70819	0.6
69.41005	0.7
71.48222	0.6
71.55206	0.6
81.07051	0.7
91.05515	0.7
93.07076	0.8
105.07049	0.7
109.96741	0.6
119.08601	0.7
181.93417	0.6
185.04225	1.2
317.72977	0.7
481.86755	0.7
539.31958	17.2
540.32404	0.7
623.28729	2.8
641.17963	0.9
659.90314	0.9
701.37189	100.0
702.37531	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	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99670	0.2
69.36182	1.6
76.08945	0.3
81.68023	0.2
93.17385	0.2
95.08633	0.2
98.20785	0.5
107.08572	0.2
157.10332	0.2
185.04211	0.5
259.07904	0.7
301.20306	0.3
347.09506	0.7
375.25122	0.3
421.13245	0.3
482.55341	0.2
506.81049	0.2
537.30396	17.8
538.30780	0.8
610.27936	0.3
699.35608	100.0
700.35962	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	700.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.2
57.03441	3.0
57.07080	33.5
61.02933	15.2
61.39016	1.0
67.05511	11.1
69.03416	2.2
69.07064	6.8
69.63241	6.8
71.04989	1.2
71.08637	35.7
73.02911	3.8
75.04482	2.7
81.07056	16.1
83.08628	11.7
85.02914	15.6
85.10184	18.9
91.03959	15.0
95.08613	27.6
97.02899	8.4
97.10182	9.9
99.11716	1.9
109.10171	10.5
111.11731	4.7
123.11700	5.3
127.03955	5.0
137.13298	2.1
145.04984	7.1
151.14871	1.2
163.06012	13.1
163.44662	1.1
168.11140	1.1
184.07346	4.7
190.21999	1.1
216.98337	1.1
244.64209	1.2
267.26819	23.2
280.28763	1.3
285.27872	2.6
302.22641	1.2
308.21274	1.2
326.30484	1.5
341.30521	100.0
342.30936	3.5
359.31558	31.7
503.14160	1.1
700.44659	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
54.64013	2.3
55.01865	7.0
55.05516	34.8
55.28308	2.2
57.03447	10.6
57.07071	6.8
59.73867	2.2
65.03944	3.8
67.05511	100.0
69.03423	4.3
69.06772	2.5
69.07076	27.8
69.67072	14.6
71.04999	4.1
71.08645	21.1
79.05059	4.3
79.05503	68.6
80.35766	2.3
81.03420	8.1
81.07063	99.6
83.04989	16.9
83.08627	20.3
85.06521	2.7
91.04963	4.1
91.05492	52.3
93.07053	80.2
95.04971	18.0
95.08021	2.2
95.08614	53.3
97.06528	13.5
97.10175	8.0
98.20726	2.9
99.08100	23.5
105.04533	2.6
105.07042	34.6
107.04963	4.4
107.07957	3.2
107.08611	34.7
109.06519	9.4
109.10158	16.6
111.08078	5.8
113.09660	3.6
115.05473	2.2
117.07015	16.9
118.16357	2.2
119.08597	25.9
120.82138	2.1
121.06487	5.1
121.10151	22.0
123.08066	3.5
123.11744	5.9
125.09635	7.8
129.06984	8.8
131.08589	20.2
133.10135	23.9
135.08040	2.8
135.11688	15.1
137.09572	2.9
139.11198	5.1
143.08604	6.3
145.10143	12.7
147.08061	3.3
147.11737	15.0
149.09686	3.0
149.13257	21.9
151.11218	23.4
155.08597	2.3
157.10129	5.2
157.46547	2.3
159.11728	10.9
161.13206	10.9
163.11154	13.0
163.14786	3.1
165.12833	5.3
169.10048	3.6
171.11720	7.3
173.13277	2.9
175.14767	3.2
177.12791	7.5
179.14311	7.5
185.13232	6.5
187.14749	3.7
189.11250	4.7
195.13805	10.0
197.13319	2.6
199.14879	3.4
213.16479	2.9
227.12804	8.0
231.21017	2.6
233.15344	2.6
239.17661	2.7
241.19505	5.9
251.16321	3.8
253.18115	2.2
259.20602	7.9
269.17517	43.2
277.21631	31.0
295.22922	2.4
320.37784	2.2
333.24457	2.4
351.25397	40.4
355.26392	2.4
431.28030	3.5
435.32703	2.7
445.29657	3.0
447.30850	2.8
463.30612	40.9
471.35059	2.8
482.15875	2.2
527.37305	8.5
545.38281	41.5
546.38428	2.8
552.81525	2.3
563.39502	5.4
585.43677	2.4
627.45923	4.2
645.47894	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	698.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01880	2.5
57.03440	4.3
59.05001	0.4
59.59282	0.3
61.02925	8.7
62.36486	0.3
69.03432	15.2
69.03814	0.7
69.49990	2.5
71.04984	1.6
73.02912	3.0
77.16803	0.3
81.03421	6.0
81.03875	0.3
83.01321	0.6
85.02908	100.0
86.03239	0.6
87.04476	1.9
89.03919	0.6
91.03951	6.7
97.02894	26.0
99.04453	3.8
101.02377	0.5
103.03949	1.1
104.21529	0.3
109.02890	7.4
115.03933	1.2
117.03373	1.9
117.81119	0.3
127.03919	27.5
137.05998	0.4
145.02869	4.8
145.04964	61.9
146.05309	0.4
149.05936	0.9
163.06023	31.7
177.05472	14.5
181.07074	0.7
183.38948	0.3
195.06534	7.3
241.06998	0.5
247.08243	0.4
271.08133	1.0
289.09128	2.2
325.11313	7.1
467.03436	0.3
560.63892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01879	1.7
56.88719	0.9
57.03435	4.0
60.85667	0.9
61.02929	9.4
63.75900	0.8
67.62957	0.8
69.03432	13.4
70.06581	2.9
71.05000	1.2
71.54525	1.3
73.02935	3.8
81.03432	7.1
81.03872	1.5
81.04360	0.9
83.01311	0.9
84.08128	1.3
85.02907	100.0
86.03288	0.8
86.09692	1.8
87.04466	2.7
88.03984	1.0
91.03957	5.8
97.02894	24.8
99.04441	4.2
99.06538	0.8
103.03974	1.0
109.02871	9.6
115.03907	1.7
117.03350	3.0
120.08082	1.2
127.03922	32.2
129.10239	1.0
145.03009	7.8
145.04959	65.0
146.05243	0.9
147.62399	0.8
149.05913	1.1
156.25240	0.8
163.06026	36.2
163.07394	1.9
177.04057	1.2
177.05481	17.2
195.06567	6.8
271.07974	0.9
287.05563	3.9
288.05820	2.6
289.09125	2.3
325.11295	12.2
326.65726	0.8
355.36011	0.8
417.69995	1.1
484.23566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
54.23709	0.3
55.01874	1.8
57.03441	4.5
61.02931	8.6
69.03433	14.5
71.01363	0.6
71.04996	2.4
71.51041	0.4
73.02917	3.5
81.03419	6.6
85.02908	100.0
86.03234	0.9
86.84687	0.3
87.04472	1.8
87.35069	0.4
89.03901	0.4
89.90620	0.3
91.03961	6.5
97.02897	24.7
99.04452	4.3
101.02381	0.6
103.03977	1.0
109.02882	8.6
115.03966	0.7
117.03360	1.5
127.03922	31.0
128.04195	0.4
145.02852	5.0
145.04962	59.6
146.05310	0.7
149.05972	0.8
163.06024	30.5
165.96422	0.3
177.05472	12.4
195.06564	5.4
271.07965	0.9
289.09198	2.2
325.11307	6.3
393.54224	0.3
403.86111	0.3
574.11865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01863	1.8
57.03441	4.4
59.05000	0.4
61.02932	8.4
69.03434	14.1
70.24541	1.2
71.05004	2.0
73.02916	3.5
78.76740	0.4
81.03418	6.1
83.01365	0.7
85.02910	100.0
86.03230	0.7
87.04475	2.0
89.03916	1.2
91.03956	4.6
92.74532	0.3
97.02898	26.1
99.04454	3.3
101.02384	0.6
103.03955	0.7
109.02883	8.0
109.03589	0.6
115.03917	1.1
117.03390	3.4
127.03927	28.0
128.04234	0.3
135.04404	0.3
145.02957	9.0
145.04965	54.0
146.05299	0.7
149.06050	1.8
153.05496	0.4
154.75665	0.3
163.03894	0.8
163.06029	28.5
164.06409	0.4
173.99738	0.3
177.05482	22.2
178.05807	0.5
181.07069	0.5
195.06540	9.4
217.76683	0.3
241.06953	0.4
247.08090	0.4
253.07198	0.4
271.08124	1.1
289.09091	1.8
292.24631	0.3
325.11362	4.7
484.01184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79413	0.7
51.56455	0.7
55.88415	0.8
61.94330	0.7
67.05511	1.3
81.07063	1.9
94.87413	0.7
95.08605	1.4
105.07089	1.0
119.08537	1.0
129.40842	0.9
147.74971	0.8
154.15947	0.8
175.75534	0.8
179.02249	0.8
189.27011	0.8
262.25360	0.9
379.19186	1.5
391.19510	1.1
393.20895	1.6
395.22174	1.0
405.17194	2.5
407.22552	3.5
419.18765	2.9
420.19507	2.5
421.20166	5.1
423.21872	3.6
433.20377	1.4
434.21161	5.5
435.21744	6.5
436.22458	1.6
446.21237	1.0
447.21939	2.3
448.23398	1.0
449.19617	14.6
450.20114	1.2
450.59024	0.9
459.21936	2.4
461.23920	1.1
463.21075	4.7
464.22275	3.2
481.22043	1.6
493.22479	1.1
495.24103	1.0
521.25751	11.9
523.26776	1.5
535.23529	1.0
547.27448	1.9
549.24847	2.3
551.26300	1.8
563.25800	1.0
567.26196	1.2
581.27765	8.7
582.28168	1.2
595.25616	1.3
607.29126	1.5
610.28424	0.9
621.30554	1.7
637.27856	3.9
697.30579	100.0
698.30829	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	697.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19343	0.2
53.03948	1.0
53.85015	0.2
55.01870	0.5
56.05021	0.3
57.03427	0.7
59.41515	0.2
61.02923	1.3
68.99782	0.3
69.03076	0.4
69.03432	5.4
70.06251	0.3
70.06597	3.0
71.04987	0.7
71.54796	0.3
72.08150	0.8
73.87920	0.2
79.05485	0.3
81.03416	3.2
81.07046	0.3
81.61591	0.2
83.01340	0.5
83.04968	0.2
84.04496	0.6
84.08143	0.8
85.02905	7.3
86.09720	1.2
87.00838	1.7
87.04482	0.4
93.07037	0.3
95.05006	0.2
95.08619	0.4
97.02897	10.9
97.06590	0.2
99.04453	2.2
105.01879	1.1
107.04993	0.2
107.08553	0.2
109.02200	0.3
109.02881	2.4
111.00801	0.7
115.03915	0.3
115.05428	0.2
116.07110	0.2
120.08125	0.7
120.98914	0.2
121.02873	2.0
126.37330	0.2
127.03927	5.1
129.10254	0.8
133.02859	0.4
135.04482	0.2
136.07561	0.4
137.02328	0.6
137.05942	0.6
145.04977	5.4
145.06230	0.3
147.04445	0.6
151.03865	0.2
152.07161	0.3
153.01839	3.4
157.06451	0.4
159.02933	0.3
161.06029	0.3
165.01849	1.5
175.07646	0.2
177.05518	0.4
183.02934	1.0
185.05972	0.3
199.03860	0.2
201.05661	0.2
212.26573	0.2
213.05484	0.8
231.04874	0.7
231.06830	0.4
241.04979	0.7
258.05225	0.9
259.06110	0.5
287.05505	100.0
288.05838	2.5
303.05017	3.0
319.22711	0.2
329.06540	0.3
337.23532	0.2
449.10828	15.0
450.11127	0.5
492.15326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01875	0.4
55.05267	0.4
55.05518	5.8
56.05053	3.5
57.03425	0.4
57.07078	3.2
58.06588	0.9
60.04540	2.7
61.02924	0.4
65.03935	0.6
65.32390	0.3
67.04248	0.3
67.05512	12.5
68.05039	1.6
69.03439	2.0
69.06721	0.6
69.07077	7.3
69.85923	0.3
70.06599	2.1
71.05016	0.3
71.08639	1.8
72.08152	0.4
74.06046	0.5
76.03986	0.3
77.03934	0.3
79.05501	10.9
80.05022	3.7
81.03402	1.0
81.05787	1.5
81.07066	10.9
82.06589	6.8
83.08630	4.4
84.08135	0.4
85.02912	3.9
85.10193	0.9
86.06099	0.3
91.05489	9.5
93.05809	0.5
93.07056	9.8
94.06577	18.5
95.04971	1.3
95.07362	9.0
95.08617	8.3
96.08147	6.0
97.02903	1.5
97.06555	0.4
97.10179	2.6
105.04513	0.3
105.06391	0.4
105.07042	6.3
106.06541	0.4
107.07364	0.4
107.08619	4.8
108.08131	3.9
109.02899	0.7
109.10179	3.1
110.09711	0.5
111.11700	0.6
117.07011	0.6
119.08591	5.1
120.08080	0.7
121.08888	0.6
121.09234	0.4
121.10159	5.5
122.09702	2.8
123.11723	1.3
124.11275	0.3
127.03931	0.8
133.09230	0.4
133.10143	3.7
134.09686	0.4
135.10587	0.5
135.11702	2.6
136.11212	1.0
137.13260	0.6
145.04979	0.5
145.10071	0.4
147.11655	1.4
148.20729	0.3
149.13290	1.0
151.14743	0.3
161.13228	0.5
163.14775	0.4
175.14841	0.4
193.19568	0.3
203.18103	0.4
219.21063	0.6
233.22639	2.5
234.22289	0.5
237.22209	0.4
245.22693	4.9
247.24052	0.4
250.25302	6.5
253.19531	0.3
254.24925	1.4
262.25327	100.0
263.23444	0.3
263.25854	2.0
264.26813	0.9
272.25870	5.2
280.26352	5.8
282.24109	0.3
312.25424	0.7
346.60751	0.3
372.42941	0.3
382.29990	0.3
442.31839	0.7
496.86246	0.3
504.47818	3.7
516.47815	25.8
517.47961	0.7
518.42316	0.5
518.49438	7.5
519.49963	0.3
534.48865	6.4
539.88287	0.3
696.54028	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	696.541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40065	0.2
53.03954	1.3
55.01876	0.3
55.05515	5.7
56.04787	0.2
56.05046	3.9
57.03438	0.3
57.06823	0.2
57.07079	2.8
58.02953	0.2
58.06591	0.5
59.49222	0.2
60.04528	2.3
61.02911	0.7
65.03932	0.5
67.04238	0.4
67.05508	10.7
68.05022	0.7
69.03425	1.9
69.07073	7.5
70.02927	0.2
70.06595	1.8
70.87148	0.4
71.08631	1.7
72.04504	0.3
73.02913	0.3
76.03989	0.5
79.05498	9.6
80.05021	3.1
81.03428	1.0
81.05801	1.6
81.07062	10.0
82.06587	6.3
83.04964	0.3
83.08627	4.4
84.08143	0.5
85.02907	3.2
85.10169	0.7
87.04460	0.2
91.03962	0.3
91.05486	8.7
93.05783	0.5
93.07050	9.0
94.06572	17.6
95.04987	1.4
95.07357	7.9
95.08611	7.6
95.09098	0.1
95.09236	0.2
96.07556	0.3
96.08134	6.0
97.02896	1.5
97.06522	0.2
97.10168	2.4
98.06028	0.2
99.04457	0.5
100.07584	0.3
105.04543	0.2
105.07033	5.0
106.06550	0.2
107.08599	4.0
108.08121	3.4
109.02863	0.5
109.10155	2.6
111.11710	0.7
117.07027	0.4
119.08589	5.3
121.08902	0.4
121.10155	5.1
122.09679	2.3
123.11696	1.1
124.11241	0.5
127.03918	0.8
131.08571	0.3
133.10143	3.8
134.09657	0.5
135.10434	0.7
135.11685	3.1
136.11252	0.9
137.13229	0.7
145.04980	0.3
147.11661	1.3
149.13242	0.9
151.14844	0.6
161.13261	1.0
163.14838	0.5
175.05974	0.2
175.14877	0.3
182.19078	0.2
189.16428	0.2
193.19508	0.4
205.19527	0.3
219.21133	0.5
220.20726	0.3
233.22673	2.9
234.22141	0.4
237.22079	0.3
245.22652	4.9
247.24207	0.5
250.25317	6.2
254.24797	1.5
256.34552	0.2
260.23770	0.4
262.25308	100.0
263.23529	0.6
263.25928	1.8
264.26871	0.7
272.25873	4.6
274.25186	0.2
280.26376	6.1
282.24335	0.3
296.25760	0.2
310.27405	0.6
312.25363	0.9
314.26987	0.4
338.30484	0.2
348.29019	0.4
361.11832	0.2
368.31683	0.3
431.47391	0.2
442.31772	0.9
470.46454	0.2
504.47720	3.2
516.47778	23.1
517.48126	1.2
518.49329	7.5
519.49658	0.4
534.48828	5.8
536.65387	0.2
696.54010	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	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01859	1.7
55.05267	1.2
55.05513	17.0
57.03226	0.7
57.03442	7.1
57.07077	8.7
60.14270	0.6
61.02930	24.0
63.11221	0.8
65.03931	2.0
67.05508	68.7
69.03418	3.3
69.07069	24.9
70.25958	3.0
71.04971	2.5
71.08626	5.3
73.02920	9.9
73.04720	0.8
75.04450	1.0
77.68774	0.7
79.05055	1.3
79.05492	17.8
80.05796	0.8
81.03400	2.0
81.07060	80.5
83.04955	1.6
83.08148	1.2
83.08625	21.9
85.02910	29.4
85.06534	3.1
85.10172	2.1
85.49469	0.8
90.10237	0.8
91.03963	21.6
91.04964	1.0
91.05483	15.5
91.07429	0.6
92.64359	0.7
93.07048	25.1
95.04967	1.8
95.08611	73.3
97.02900	16.1
97.06538	7.7
97.09612	1.2
97.10172	11.6
98.21428	1.1
99.04440	1.8
99.08096	4.6
99.08658	0.7
103.03917	1.0
105.07040	12.1
107.08598	17.8
109.02910	0.9
109.06486	1.1
109.10162	39.8
111.08095	4.2
111.11732	4.4
113.09626	2.1
115.03961	0.8
119.08580	12.5
121.09320	1.2
121.10155	22.4
123.08078	1.1
123.11720	20.9
125.09603	2.7
125.13288	1.8
127.03910	9.3
127.11176	2.2
131.08542	1.3
133.10136	15.3
135.05307	0.7
135.11717	13.0
137.09625	1.9
137.13274	7.9
139.11174	1.0
141.12791	3.8
145.04964	10.8
146.79178	0.7
147.11707	11.0
149.13248	11.3
151.11205	1.6
151.14825	6.6
153.12723	1.8
155.14302	4.6
161.13275	14.3
163.06027	19.0
163.14836	11.4
165.12758	1.5
165.16414	10.1
167.14345	1.8
175.14836	10.5
177.16411	2.6
179.14326	2.4
179.17964	7.9
181.15907	1.7
189.16371	6.6
193.15884	1.3
201.01126	0.8
203.17935	2.5
207.17534	1.1
217.19594	1.7
221.18877	0.8
245.22667	66.4
246.23044	1.7
263.23712	100.0
264.24100	2.6
265.25323	2.4
281.24817	2.7
292.03192	0.7
337.27371	67.6
338.27881	2.1
355.24023	1.0
355.28485	13.6
460.92178	0.8
499.32541	4.4
683.54126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01851	1.1
55.05512	13.4
56.17603	1.1
57.03428	5.1
57.07078	10.8
61.02639	1.8
61.02928	23.6
67.05508	65.0
69.03412	4.1
69.07070	16.3
69.40896	8.7
71.04984	1.2
71.08617	3.2
73.02918	10.8
79.05495	19.2
79.05915	2.3
81.03400	1.8
81.07060	74.6
83.04977	3.1
83.08627	18.0
84.46349	1.2
85.02907	27.8
85.06536	2.9
85.10172	3.4
91.03963	25.6
91.05477	13.1
93.07050	22.4
95.04950	1.5
95.08611	60.5
97.02895	16.6
97.06553	6.8
97.10181	10.5
99.04436	2.5
99.08079	1.6
105.07049	9.6
107.07949	1.7
107.08595	16.1
109.10162	34.6
111.08076	3.9
111.11707	3.2
113.09619	2.4
115.03885	2.4
119.08592	8.9
121.10139	19.9
123.11709	17.9
125.09640	1.5
127.03938	10.1
127.11177	1.9
129.43269	1.2
133.10127	14.9
135.11682	10.9
137.09633	1.3
137.13255	7.3
141.12724	2.8
144.63832	1.1
145.04964	12.4
147.11682	11.3
149.13261	10.3
151.11234	1.7
151.14824	4.2
153.12679	1.8
155.14256	2.1
161.13274	13.0
163.06012	21.4
163.14801	9.6
165.12735	1.7
165.16414	9.6
175.14827	9.1
177.16318	1.7
179.17960	9.7
189.16394	4.7
203.17947	1.8
215.23524	1.1
217.19572	1.5
245.22659	64.5
263.23712	100.0
264.24167	1.8
265.25259	2.6
281.24673	2.3
337.27356	43.4
355.28442	8.3
527.68878	1.2
537.12158	1.4
628.06659	1.3
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
55.01872	3.0
55.05509	10.9
56.86640	2.0
57.03436	7.7
67.05510	21.6
69.03401	2.1
69.07059	15.2
70.06563	3.0
71.54769	3.1
79.05491	15.3
81.03410	3.4
81.07063	73.4
83.04988	9.8
83.08619	7.8
84.04494	3.0
85.02905	3.1
85.06536	5.6
91.05480	23.1
93.07043	9.7
95.04935	2.6
95.08617	20.0
97.06549	6.5
99.08089	5.6
101.06010	2.7
105.07036	30.6
107.08613	12.5
109.06541	5.0
113.05972	2.1
119.08596	30.4
121.10150	26.5
123.08067	5.7
123.11721	30.1
127.07521	4.2
131.08525	2.8
137.13293	3.0
147.11694	77.5
165.12767	33.4
170.08128	4.4
175.11229	2.8
183.13754	4.0
219.07953	4.3
229.14357	9.6
267.15933	96.7
285.16974	100.0
286.17078	2.1
333.00192	2.2
348.12357	2.2
354.59341	2.3
461.85345	2.1
477.28409	19.0
495.29544	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
55.05533	1.0
56.05037	2.4
57.02185	1.5
58.06601	9.4
58.99588	4.8
60.04499	0.8
61.01150	0.8
67.05508	5.0
68.05033	1.1
69.03432	4.3
69.82442	0.7
70.06602	8.8
72.08155	1.6
73.01139	5.1
73.05289	4.5
73.07688	0.6
74.00668	4.8
74.02432	3.0
76.02232	11.6
76.04001	7.3
79.05484	1.1
82.06583	1.4
83.06106	1.2
83.07375	0.8
84.04507	46.5
84.08142	3.6
85.02912	8.3
86.01939	0.6
86.09719	4.8
86.99057	1.7
88.03992	0.7
89.04253	1.2
93.07024	0.7
95.01336	7.6
95.04973	0.9
96.08133	2.0
97.02888	0.7
97.06547	1.2
98.06059	24.9
99.02680	20.5
99.04462	0.9
99.05582	5.6
100.02172	1.2
100.03458	3.8
100.03999	1.8
100.07597	3.7
101.04235	2.5
101.04817	1.4
101.07147	1.6
102.00129	0.9
102.03751	0.7
102.05547	1.1
103.06340	1.7
106.98621	2.4
110.06038	0.8
112.03976	13.6
116.01680	5.5
116.05322	54.7
116.07072	14.4
118.06897	5.4
119.08485	0.7
120.08089	1.7
124.07623	2.9
125.06019	5.9
126.05518	31.4
127.02146	1.7
127.05032	1.7
127.08681	1.6
128.02919	7.5
128.05830	1.8
129.04311	5.0
129.06593	1.9
129.10245	1.6
130.03253	2.5
130.05011	32.6
135.05313	1.2
136.07574	1.0
140.01688	0.7
141.06616	1.8
142.03230	2.4
142.08690	0.9
144.01144	2.2
144.04733	1.1
145.03073	0.8
145.06078	8.5
146.06877	9.5
147.07634	6.1
148.01424	0.8
153.05486	5.0
153.06638	2.0
155.08182	2.5
156.06575	9.0
158.02725	1.9
160.00681	3.7
162.02234	6.1
164.43541	0.7
170.08157	8.5
171.07634	1.9
172.07957	1.0
173.09225	38.9
174.10022	0.7
177.03342	4.1
177.05515	0.7
179.04858	6.0
181.06178	1.0
182.06668	4.9
199.07152	4.9
200.07825	3.1
201.08708	17.7
202.03618	1.6
202.05362	30.1
204.06836	1.0
205.06544	1.0
206.09039	2.6
210.01353	2.7
212.07936	2.5
215.05502	8.4
219.07993	69.9
220.08354	0.8
230.08508	1.1
231.04295	0.7
232.05167	1.5
233.05910	1.3
243.04474	1.3
245.06046	0.7
245.09528	1.1
247.11127	6.6
257.07755	1.0
257.10178	3.9
258.08505	1.1
272.05960	0.8
273.09122	3.1
274.10373	9.9
275.11121	23.6
284.03198	23.1
290.09808	2.1
293.16232	0.7
300.05429	1.0
306.07584	4.9
307.10605	8.1
330.11090	0.9
338.04166	6.3
339.05533	9.0
348.12256	32.5
349.13000	7.9
381.12241	2.0
413.07455	100.0
414.07614	2.4
460.00308	1.9
563.03113	3.2
692.06964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05507	1.8
57.03435	2.0
59.06127	1.5
61.02933	5.5
62.97884	0.5
67.05508	6.9
69.03436	3.4
69.07072	1.4
69.26295	0.5
69.42184	3.0
69.42601	1.5
71.04996	0.8
73.02914	3.5
79.05486	3.7
81.03436	1.5
81.07064	5.2
83.04980	0.5
83.08635	1.5
85.02905	5.3
91.03960	4.1
91.05472	2.8
93.07037	4.8
95.04996	0.9
95.08606	3.6
97.02895	5.0
99.04451	1.0
101.02366	1.3
105.07051	1.7
107.08595	2.3
109.10163	5.9
115.03926	0.7
117.07043	0.5
119.08627	1.7
121.10176	1.9
123.11713	0.5
127.03941	1.7
131.08592	1.1
133.10190	1.2
135.11708	1.1
143.08548	0.8
145.10196	0.9
147.08096	0.7
147.11649	0.6
151.07664	0.5
154.87079	0.5
159.11711	1.4
167.53217	0.5
173.11794	1.0
185.04366	0.9
195.09996	1.1
218.00797	0.5
243.08456	1.8
259.16974	0.8
413.17807	4.4
519.29297	8.7
691.40289	100.0
692.40582	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	691.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.1
57.07070	6.9
58.50905	4.7
58.99586	4.5
59.05014	5.4
59.35567	4.1
62.28323	3.4
62.94108	3.8
65.03937	4.1
67.05513	28.1
69.03423	12.6
69.07068	14.3
69.30235	29.6
75.05177	4.1
78.73838	4.0
79.05502	25.4
81.07056	46.1
83.04993	6.2
83.08615	5.6
85.06545	9.0
85.32986	3.6
91.05483	44.3
91.79231	3.7
93.07058	55.8
93.99873	4.3
95.04971	17.5
95.08620	35.9
97.06552	10.1
105.07042	67.7
107.08608	48.0
109.06533	17.9
109.10183	27.6
111.02634	4.7
116.56959	3.8
117.07025	12.5
119.08588	78.5
121.06531	7.6
121.10168	40.7
123.08065	28.3
123.11718	5.8
125.05963	12.4
128.06229	6.0
129.06999	11.8
131.08591	34.7
133.06454	9.5
133.10152	87.4
135.08066	18.2
135.11679	21.9
137.09601	9.1
141.07059	3.9
142.07813	14.8
143.08556	22.7
144.09348	9.0
145.10138	49.6
147.08057	13.4
147.11679	21.6
149.09639	12.5
151.07549	30.5
151.11197	6.6
153.07008	5.3
155.08601	8.1
156.09344	8.3
157.10149	35.1
158.10899	6.7
159.08054	8.3
159.11690	40.9
161.09621	10.5
161.13268	10.8
163.11179	16.6
165.07617	5.0
165.09148	27.3
167.08551	5.0
169.10114	13.0
170.11002	7.5
171.11702	31.0
173.09674	10.6
173.13272	27.2
175.11212	13.3
175.14888	8.5
177.09059	6.1
177.12773	7.8
179.10689	5.0
181.10143	11.3
181.12276	12.1
182.10999	4.8
183.11713	19.9
185.13205	16.4
186.14003	5.3
187.11310	5.2
187.14801	9.6
189.12750	19.0
191.10631	5.0
191.14377	7.9
191.96492	4.7
193.12183	5.1
194.10962	4.3
195.11746	10.1
197.13213	18.9
199.11072	4.5
199.14841	6.9
201.12759	5.6
201.16475	4.7
203.14319	19.2
207.08231	4.2
207.11906	7.0
207.13847	21.3
209.13248	14.9
209.15294	6.8
211.14781	9.9
213.12616	4.9
213.16292	5.0
215.14317	7.7
217.15845	4.6
219.11633	5.4
221.13330	6.5
221.15346	47.1
223.14833	10.3
225.12805	5.9
225.16454	8.7
233.13362	6.7
233.15614	5.8
235.14841	10.9
237.16447	12.1
239.14203	4.7
239.18021	5.7
247.16998	9.6
251.18025	6.5
269.12039	4.9
269.18903	7.3
277.19455	5.7
287.20108	8.2
295.20593	6.5
300.20755	6.3
305.22900	7.6
313.21759	26.4
323.23578	6.3
354.06638	4.1
385.27209	9.4
387.25275	12.1
391.29886	4.8
402.27753	39.4
409.31073	10.3
447.27420	5.5
605.43756	5.7
607.44751	7.9
625.46326	25.2
641.45123	4.7
642.45978	7.7
643.46735	15.8
655.41565	15.4
656.21338	4.6
673.42664	50.5
674.42859	6.6
691.43878	100.0
692.43665	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	691.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
55.05515	1.7
55.48062	0.7
57.03422	2.2
57.07065	0.8
59.06109	0.7
61.02938	4.9
67.05510	10.2
69.03431	2.4
69.07070	1.1
69.42387	5.6
71.05007	1.5
73.02915	3.8
79.05481	3.8
81.03396	1.7
81.07061	5.5
83.08624	1.5
85.02921	5.1
91.03963	2.8
91.05493	2.4
93.07072	4.3
93.07554	0.7
95.04999	1.1
95.08624	4.0
97.02911	4.5
101.02429	1.7
105.07049	2.7
107.08613	3.4
109.02928	1.2
109.06516	1.2
109.10168	9.9
117.07060	0.7
117.59127	0.8
119.08605	3.4
121.10153	2.0
123.11752	1.0
127.03937	1.6
131.08525	0.8
133.10159	2.6
135.11725	1.2
143.08568	0.7
145.10150	1.6
147.11717	1.4
151.07567	1.1
159.11806	1.1
171.11685	1.0
173.11792	1.2
173.13251	0.8
181.52100	0.8
183.11745	1.1
185.04358	0.7
195.09999	1.0
221.15448	0.9
243.08344	1.7
249.86359	0.7
285.24850	0.8
335.25906	0.9
413.17914	10.6
519.29163	4.6
673.42920	0.8
691.40332	100.0
692.40430	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	689.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08550	1.1
71.53843	1.5
85.02897	2.3
97.02865	1.4
108.24611	1.2
119.87149	1.2
120.12995	1.2
167.01913	1.1
173.02994	1.8
193.56273	1.3
212.85245	4.7
222.48566	1.2
230.95593	1.4
245.05142	3.9
292.98691	1.5
301.11475	1.8
316.99567	1.4
333.83804	1.1
346.86316	1.5
346.96393	2.0
347.08710	1.3
365.13214	1.7
407.10107	1.4
525.12195	67.5
689.16907	100.0
690.17120	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	689.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05423	0.3
55.05517	0.3
55.24240	0.3
65.03958	2.2
70.06592	1.0
71.55722	0.7
71.56083	0.4
78.52241	0.3
79.05496	0.5
81.07070	0.4
86.09733	0.6
91.05486	32.8
93.07005	0.5
94.97137	0.4
95.04987	5.2
105.06963	0.4
113.04256	0.4
119.04951	20.4
123.08073	0.7
136.05196	3.0
137.05981	2.5
151.07550	100.0
152.07887	1.8
187.86780	0.4
197.04817	0.4
198.88354	0.4
252.99637	0.4
275.17410	0.5
285.11295	0.5
345.06714	0.4
518.35626	0.4
599.41510	0.4
692.12067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01846	1.5
55.05516	16.3
56.05037	2.7
57.03427	2.4
57.07076	9.1
59.05026	1.4
61.02946	2.3
67.05506	26.5
68.01234	1.4
69.03433	8.9
69.06724	2.9
69.07075	39.9
70.06596	34.9
70.52016	4.8
71.04980	2.5
71.08654	1.8
72.08161	18.3
74.06098	2.5
79.05502	14.5
80.22274	1.5
81.03413	3.3
81.07064	100.0
83.04984	2.8
83.08624	19.2
84.04532	3.7
84.08147	11.6
85.02917	17.9
85.06549	43.1
86.09710	17.6
87.05601	1.5
88.03971	2.0
89.98698	1.3
91.05510	7.2
93.07053	40.5
95.04975	3.0
95.08615	64.7
97.02886	4.2
97.06554	3.9
97.10176	7.7
98.20782	2.7
99.08097	27.1
105.07016	5.8
107.04998	1.4
107.08608	44.6
109.02905	2.1
109.10162	51.4
110.07197	2.4
111.08073	9.1
111.11719	4.1
113.09650	3.8
116.07076	2.0
119.08563	5.0
120.08109	4.8
121.06544	1.5
121.10159	24.2
123.11716	29.0
125.09630	17.9
125.13254	2.8
126.05527	2.4
127.03931	5.5
127.11207	7.4
129.10266	6.8
133.10103	3.2
135.11708	14.2
136.07576	3.9
137.13261	14.4
139.11188	13.1
142.54727	1.4
143.14330	6.3
145.04980	4.2
147.11668	2.2
149.13272	55.6
151.07497	1.5
151.14835	4.5
153.12741	4.4
155.08180	2.1
155.14302	2.5
157.12175	2.0
161.13278	3.3
163.14828	18.3
165.16388	3.2
167.14326	30.9
169.12218	3.3
171.13815	27.2
175.14867	1.8
177.05449	2.1
177.09358	1.4
177.16423	7.6
189.26884	1.4
191.17888	2.1
195.17395	1.6
201.09399	2.2
203.17972	2.1
217.19489	2.2
237.22243	3.0
273.25775	5.7
279.26868	9.7
291.26834	57.2
297.27911	30.0
303.04886	2.2
306.01721	1.4
309.27884	52.8
310.28308	2.0
311.10458	1.6
327.28931	45.0
345.29959	17.5
356.01974	1.5
392.35950	1.5
422.64175	2.0
507.34937	2.6
606.32684	2.0
643.11169	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	687.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.05514	14.6
55.09348	1.2
56.05036	2.0
57.03431	3.2
57.07077	10.5
58.06590	1.5
61.02921	2.6
62.57692	1.3
65.50848	1.1
67.05511	26.4
69.03430	8.9
69.07069	40.9
70.06594	26.9
71.04995	2.3
71.08640	2.5
72.08155	13.5
74.06054	1.9
78.26711	1.2
79.05498	14.1
81.03412	2.3
81.07061	100.0
83.08624	20.2
84.04506	3.4
84.08144	7.6
85.02914	18.2
85.06544	34.7
86.09718	10.6
87.05596	1.1
90.06577	1.2
91.05489	5.5
93.07047	41.3
95.05001	2.2
95.08612	60.6
96.08961	1.3
97.02888	3.7
97.06537	3.5
97.10160	8.3
99.08099	27.4
105.07042	6.4
107.07863	2.4
107.08601	46.4
109.02895	1.9
109.10161	48.2
110.07241	1.9
111.08084	7.3
111.11732	3.2
113.09657	3.8
119.08591	4.8
120.08117	3.7
121.10144	22.7
123.11718	30.3
125.09646	15.4
125.13275	2.8
126.05530	1.4
127.03928	3.3
127.11207	8.8
129.10229	4.8
133.10153	4.5
135.11690	11.3
136.07585	4.1
137.13268	15.3
139.11185	11.5
143.14311	4.0
145.04990	4.5
147.11719	3.7
149.13263	57.3
151.11197	2.4
151.14819	3.9
153.12750	4.3
155.14325	2.2
161.13295	3.9
163.14854	18.0
165.16411	4.8
167.14320	30.5
169.12227	2.2
171.13812	23.7
174.29770	1.2
177.05496	1.4
177.16428	5.0
181.15868	1.8
185.15347	1.7
191.17923	1.7
201.09349	3.4
203.18010	2.5
205.19582	1.4
207.06546	1.3
217.19466	1.3
221.19180	1.5
235.20508	2.4
237.22125	3.0
243.40680	1.1
273.25836	6.7
279.26840	12.7
291.26837	52.8
291.98514	1.3
292.27365	1.3
297.27878	30.5
309.27866	47.2
310.28067	1.6
327.28937	43.4
345.30035	18.3
387.37317	1.2
417.29419	1.6
489.34525	1.7
507.35458	2.4
644.11023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
55.05490	0.7
67.05495	1.1
70.27193	1.8
79.05480	1.2
81.03430	0.6
81.07047	1.1
89.57256	0.5
91.05483	1.3
93.07061	1.3
95.04932	0.8
95.08599	1.2
100.11240	0.6
105.07036	1.4
107.08591	0.8
109.10162	0.6
109.84813	0.5
113.04250	0.6
119.08564	1.3
121.10143	0.9
123.08096	0.5
133.10139	1.5
135.11763	0.7
145.10098	0.8
173.13289	0.8
328.14615	0.7
376.16797	0.9
377.17868	0.9
389.17752	0.7
390.18381	0.9
391.19357	3.1
392.19962	1.5
393.20700	2.2
404.16101	0.8
405.16394	3.2
405.20883	2.2
406.17264	1.1
406.22000	1.1
407.22601	5.7
408.22986	0.7
419.18063	7.0
419.23117	1.2
420.18961	2.7
421.19882	3.0
429.16882	1.0
431.18359	1.1
432.19339	1.0
433.15762	0.6
433.20059	8.3
434.21002	6.3
435.21768	7.5
444.19415	0.8
445.20206	2.2
446.21188	1.1
447.18042	3.6
447.22632	1.7
448.17972	0.9
448.23032	0.9
449.24030	3.5
458.20923	0.7
459.21762	10.1
460.22748	2.7
461.19489	3.2
461.24222	1.8
462.20380	3.0
463.21246	3.8
465.23096	0.6
473.23065	0.6
475.21414	2.6
476.22009	6.6
477.22787	6.6
479.20395	0.6
489.22992	3.1
493.22528	0.9
495.23703	0.9
503.24283	1.9
505.21844	0.8
509.25342	0.8
511.26425	0.6
519.24005	1.0
521.25739	17.3
522.26062	0.8
531.23529	1.2
535.23676	1.9
539.96594	0.6
547.27148	5.8
549.25073	2.5
563.26575	28.7
564.26855	1.7
569.06586	0.6
581.27643	19.6
582.27496	1.2
591.25934	1.4
595.27667	1.1
596.28003	0.6
606.28357	34.0
607.28796	1.7
609.26733	2.3
623.28644	100.0
624.29303	12.1
625.29382	0.6
651.28571	0.7
687.28693	20.0
687.40491	2.7
687.53754	1.8
688.28857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.5
55.91958	2.3
56.05045	7.8
58.06608	22.8
58.99590	5.9
60.11754	2.1
61.01150	9.3
62.03917	2.3
63.99567	2.2
67.05515	4.6
68.05036	4.6
69.57495	4.1
69.57906	12.5
70.06599	13.5
73.01143	9.5
74.00676	55.8
75.02740	2.5
76.02232	17.8
76.04011	5.7
80.05045	2.8
83.06114	7.0
83.07381	4.2
84.04512	100.0
84.08154	16.3
85.04044	22.2
86.17101	2.5
92.01727	13.3
96.00742	2.3
96.08136	18.7
98.20728	2.9
99.02685	37.2
101.04274	4.6
104.98339	25.8
107.99405	20.0
109.07665	3.2
110.06049	3.1
112.03962	30.7
113.03511	7.0
116.01711	8.1
116.05333	50.2
116.07092	29.9
122.10099	2.5
124.07611	13.1
126.09193	3.2
129.06616	12.9
130.05017	86.0
130.05948	4.9
130.99878	3.5
131.04543	22.8
142.03232	3.3
142.08681	13.8
144.01172	3.9
148.02524	23.9
150.20505	2.3
153.06700	3.3
155.08197	14.2
156.04948	2.9
160.00664	7.4
160.42552	2.5
162.02246	10.4
170.08153	67.6
174.00450	2.9
177.03317	69.1
179.04854	12.6
181.06151	11.3
185.03836	10.3
187.05476	3.0
188.02020	6.0
199.07225	4.5
202.05348	25.1
211.02122	23.0
213.12331	5.6
219.08011	67.7
223.09171	2.2
231.04393	18.3
233.05943	7.4
234.02667	3.6
242.05666	2.8
247.02136	3.5
251.05215	83.3
265.03189	11.9
273.09085	7.7
277.06805	2.6
288.06622	6.7
305.06357	10.9
306.07480	2.8
308.09094	13.1
309.03976	5.0
322.05139	4.6
330.11072	3.4
339.04956	3.1
340.06476	8.2
348.12326	24.4
380.09439	34.5
429.03961	4.3
429.09393	50.5
438.08475	2.5
483.10318	31.8
540.12915	12.1
540.19434	2.5
558.13580	25.3
612.14539	14.9
669.16608	10.0
687.16907	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	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44109	0.9
53.03941	2.3
53.18788	0.9
55.05511	10.7
57.03444	11.6
57.79320	0.9
59.04993	4.2
61.02916	3.6
63.28991	0.9
65.03934	3.2
67.05508	100.0
69.03440	2.1
69.06785	0.8
69.07079	9.1
69.72958	1.0
70.80342	2.1
70.80686	1.2
71.04980	2.9
79.05063	1.4
79.05498	22.5
81.03404	1.0
81.07063	36.5
83.04980	1.6
83.08628	8.9
85.02927	4.3
85.06528	3.0
91.03962	2.1
91.05472	14.0
93.07047	31.4
95.04958	3.6
95.08609	27.5
97.02882	2.8
97.06517	1.5
97.10141	1.3
101.34993	1.1
102.43649	1.0
105.07029	10.8
107.08606	13.0
109.10162	77.8
110.10495	1.1
111.08071	3.6
117.07034	2.7
119.08589	11.7
121.10143	12.7
123.11710	3.5
125.09615	1.3
127.11253	1.2
131.08553	5.5
133.10152	5.5
135.11674	7.9
137.09599	3.1
145.10141	4.9
147.11708	3.3
149.13272	3.9
151.10963	1.0
152.35333	0.9
155.10645	3.4
159.11697	2.8
161.13266	2.3
163.14810	2.7
173.11760	24.3
173.13211	2.4
175.14864	1.3
177.16530	1.1
189.11230	1.4
227.12814	4.1
229.14360	83.8
230.14731	1.5
243.21065	5.3
261.22165	17.7
275.40106	0.9
286.16888	0.9
302.05856	1.2
317.24805	2.5
335.25812	73.9
336.26111	2.8
444.05862	1.0
489.35782	50.5
490.36124	1.9
507.37015	2.4
696.66107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
54.77488	0.9
55.05302	0.9
55.05515	10.8
57.03440	11.9
57.07057	2.0
58.03533	1.0
59.04989	3.6
61.02911	4.1
65.03923	2.4
67.05511	93.6
68.05822	1.1
69.03397	1.0
69.07067	7.6
69.27119	8.3
71.04975	3.7
73.02933	1.4
79.05065	1.2
79.05498	19.3
81.07069	35.8
83.08636	8.4
85.02898	4.4
85.06528	2.9
91.03944	1.6
91.05476	14.3
93.07051	22.0
95.04974	2.0
95.08614	24.5
97.02893	2.3
97.06532	1.5
97.10180	2.4
98.21494	2.4
99.08103	1.9
105.07051	6.5
107.08614	13.8
109.06547	1.1
109.10168	79.0
111.08105	2.3
113.09610	1.2
117.07016	1.9
119.08591	11.8
121.10171	10.1
123.11676	2.7
125.09640	1.7
131.08577	6.6
133.10109	4.0
135.11670	7.3
135.54956	1.0
137.09657	4.6
137.13235	1.0
145.10129	3.2
147.11688	3.8
149.13225	3.6
155.10703	4.6
159.11707	3.7
161.13283	3.4
163.14801	2.0
173.11790	23.0
173.13252	4.1
175.14813	1.4
177.16458	1.2
180.87122	1.2
187.14853	1.8
189.11285	1.0
227.12799	5.8
229.14369	100.0
230.14720	1.9
243.21118	5.2
259.20770	1.1
261.22156	19.2
317.24667	4.1
335.25818	71.5
336.26126	2.8
379.30273	1.6
381.47748	1.0
397.30649	1.2
415.31967	1.6
489.28809	2.1
489.35785	35.3
490.35815	1.9
497.73660	1.1
507.36584	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	685.465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43006	0.6
50.86681	0.6
51.75982	0.6
52.72264	0.5
55.05513	1.3
57.07066	0.8
67.05515	4.0
69.07079	1.7
71.08624	1.0
71.30001	1.4
79.05494	2.7
81.07057	4.4
91.05437	1.1
93.07046	2.6
95.08624	1.9
105.07069	1.6
107.08575	1.3
109.10151	1.3
119.08607	1.2
131.08588	0.8
133.10162	0.8
135.11726	0.8
147.11678	0.8
168.32629	0.6
179.14316	0.9
252.91296	0.6
317.20798	3.4
331.26477	1.5
333.20468	1.8
335.22009	2.9
337.27051	0.7
373.23679	1.7
389.23206	1.7
391.24707	2.8
405.65881	0.6
522.12146	0.7
685.46490	100.0
686.46881	4.4
707.46625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64169	1.9
51.81212	1.9
53.03943	2.2
55.01863	2.7
55.05515	20.0
56.05044	2.7
57.03435	2.8
57.07084	9.2
59.05013	2.8
60.04524	3.1
61.02906	2.6
65.03950	3.0
67.05505	32.7
69.03429	6.2
69.07072	78.6
70.02938	2.9
70.06199	2.6
70.06591	51.0
70.06953	3.8
71.05005	4.5
71.08623	2.0
71.55702	4.0
72.08161	27.7
74.06088	2.9
79.05492	15.6
81.03432	4.3
81.07060	100.0
82.06586	1.9
83.04978	4.2
83.08624	17.1
84.04503	7.1
84.08147	18.9
85.02910	15.8
85.06553	41.9
86.09711	37.1
86.10232	2.6
87.05608	2.4
88.04018	3.2
91.05461	13.2
93.07059	38.8
95.04967	5.8
95.08614	71.9
97.02913	7.7
97.06533	8.0
97.10174	9.2
99.08092	14.2
102.05554	3.2
104.58098	2.0
105.04520	1.9
105.07035	20.6
107.08611	36.9
107.52212	1.9
108.08083	3.1
109.02875	4.4
109.06537	4.5
109.10155	48.5
110.07175	4.1
111.08106	7.3
111.11737	19.2
113.04320	2.3
113.09641	2.6
115.07562	2.2
119.08585	21.8
120.08102	9.6
121.10149	31.3
123.08087	1.9
123.11711	37.5
125.07177	2.7
125.09663	5.7
127.03931	5.8
127.11221	7.7
129.10255	9.9
131.08578	6.5
133.09259	2.1
133.10139	14.5
134.04556	2.5
135.11703	17.9
136.07616	7.1
137.09642	4.3
137.13266	10.2
139.11205	14.2
141.12727	2.7
145.02831	2.7
145.10141	9.6
147.11700	17.9
148.05962	2.1
149.09529	2.0
149.13272	17.8
151.08832	2.0
151.11101	2.5
151.14839	5.8
153.12776	3.3
155.10684	2.6
157.12265	3.4
159.09193	3.0
159.11697	11.5
161.13274	12.6
163.14796	10.2
165.12799	6.1
166.08722	3.9
167.14316	4.0
170.06097	2.4
173.13266	8.4
173.14717	2.0
173.66879	1.9
175.14838	5.8
177.05444	3.4
177.16370	9.7
179.14340	4.3
180.64581	1.8
182.30574	1.7
185.16539	3.5
187.14880	3.4
189.12770	2.0
189.16341	4.3
191.18002	2.9
193.73868	1.8
195.17514	4.3
201.16397	2.9
213.16650	1.8
213.18454	9.5
215.18047	2.5
225.10205	3.2
237.10239	2.5
237.18471	3.4
237.79021	2.0
241.95073	2.3
271.24106	10.0
277.25320	8.4
285.12363	3.4
289.25262	31.5
295.26328	35.9
303.04825	2.5
307.26331	83.7
307.36115	2.3
308.26569	3.0
313.27667	2.1
317.06503	3.1
325.27368	34.2
331.49619	1.9
343.28406	15.1
361.29556	5.7
380.32208	2.2
403.64325	2.1
519.67828	2.1
558.80426	2.4
685.27246	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	685.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.05488	1.1
65.03941	2.2
67.05479	1.0
70.06602	6.7
71.55413	1.4
72.83299	1.0
75.79162	1.1
79.05481	1.3
81.07055	2.5
84.04510	5.0
84.08135	1.5
85.02899	2.2
86.09709	3.9
89.03925	2.2
91.05486	42.4
93.07071	1.3
95.04969	8.0
99.02715	1.4
103.05479	1.3
104.60583	1.0
104.98338	2.1
109.02858	1.6
109.10114	1.0
110.07208	1.0
113.04201	2.3
115.05872	1.3
116.05334	1.4
117.03369	6.1
117.07053	1.1
119.04949	29.5
120.08115	1.4
121.06496	2.0
122.06030	1.0
123.07935	1.3
125.05962	1.5
129.10205	1.2
130.04117	1.4
135.04411	1.2
136.05202	4.6
137.05997	3.6
141.03397	6.3
145.02858	12.6
145.06465	1.5
147.03038	1.8
149.05998	4.4
151.07556	92.6
162.01497	0.9
162.03131	1.0
170.08125	1.8
171.02437	1.3
171.08620	1.2
177.05490	28.8
186.03174	2.1
191.07036	7.5
194.08157	5.3
201.05382	84.3
205.06482	1.9
207.08177	1.0
219.08081	1.5
220.05234	7.6
222.06923	1.2
226.05139	1.5
231.06364	1.4
233.06180	1.2
235.07596	17.2
237.09142	2.8
244.06090	6.9
248.04703	4.9
249.05380	1.4
250.06393	1.2
252.07787	1.3
256.06030	1.8
260.04749	1.3
263.07050	22.2
264.07678	2.0
265.04968	4.2
265.08658	4.0
267.10205	1.2
270.07724	1.2
280.07373	9.5
281.08054	1.3
282.08820	2.2
283.35339	0.9
291.06561	7.6
297.11209	2.0
308.06769	3.8
313.10803	4.0
321.07693	2.7
323.09155	100.0
324.09592	2.3
325.10812	2.2
348.12411	1.9
351.08649	1.2
353.10013	2.4
394.12872	54.1
395.13327	2.4
490.18652	19.8
492.20050	1.9
509.22934	1.4
518.18140	50.7
519.18536	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	685.275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30029	0.3
63.02382	0.8
69.42078	3.3
70.06587	1.5
72.08130	0.5
86.09685	1.3
89.03922	7.2
91.05469	3.3
94.31989	0.4
95.04939	0.7
98.21490	0.5
103.05446	0.5
105.81852	0.5
112.08747	0.4
113.04215	0.5
114.18610	0.5
115.05446	0.9
117.03384	17.6
119.04961	2.6
121.06558	0.4
134.03613	1.3
135.04411	1.5
136.05164	0.6
137.05965	2.5
143.04956	0.7
145.02849	48.1
146.03189	0.9
149.04816	0.4
149.05984	7.2
151.07527	6.2
163.03882	0.6
167.05580	0.5
175.07576	0.7
176.07030	0.9
177.05472	100.0
178.05809	1.5
186.05507	1.3
194.08157	5.2
201.05641	0.4
205.13379	0.4
265.08624	0.6
293.08081	0.6
299.12726	0.9
307.09622	0.6
316.15475	1.5
325.10596	3.0
342.13422	1.1
351.08505	1.9
492.20239	7.2
509.22821	4.7
518.17987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97686	0.4
53.03947	1.4
55.01873	2.1
57.03442	3.6
57.67133	0.4
59.97276	0.4
60.58332	0.4
61.02642	0.7
61.02935	8.8
62.42753	0.3
69.03433	13.8
70.68257	1.0
71.05003	2.0
73.02923	3.6
81.03425	5.7
83.01365	0.6
85.02911	100.0
87.04466	2.3
91.03951	5.9
97.02900	24.7
97.03397	0.4
98.21291	0.4
99.04458	3.8
101.02382	0.5
103.03951	0.8
109.02888	8.8
115.03925	0.5
127.03926	27.6
135.04387	1.1
145.04971	57.0
146.05315	0.7
163.03955	11.9
163.06020	28.2
181.04987	4.3
194.89700	0.4
271.08237	0.8
289.09158	2.0
325.11374	6.5
399.92471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03633	0.7
64.13964	0.7
65.03938	1.1
69.07056	1.1
70.06586	2.2
71.55756	0.9
79.05500	0.9
84.04478	1.1
86.09708	1.0
89.03926	6.9
91.05479	17.3
95.04964	3.0
97.64906	0.7
103.59556	0.6
105.07060	0.9
107.04950	1.1
113.04237	2.5
117.03387	17.8
117.07032	0.8
119.04950	10.9
121.05656	0.7
121.06509	1.7
129.19070	0.7
134.03651	1.3
135.04427	1.7
136.05225	1.3
137.05975	9.2
145.02856	39.2
145.06575	0.8
147.04456	2.1
149.05998	8.6
150.06758	0.8
151.03909	0.8
151.07549	28.6
158.03589	1.0
161.05968	1.6
163.03902	3.7
165.05502	0.8
165.06964	0.9
168.10216	5.6
173.06026	2.2
175.03932	2.6
175.07584	1.8
177.05484	69.8
177.06824	2.5
178.05783	1.4
179.08537	0.8
186.03165	5.4
186.05521	2.2
188.04697	0.8
194.08212	18.5
195.06651	1.9
201.05463	12.6
203.06981	0.9
204.05731	1.3
205.06506	9.3
206.07207	0.9
209.09517	1.1
217.06303	1.2
219.08029	1.8
220.09828	0.7
221.06013	2.1
221.09575	0.8
222.06787	4.6
223.07649	1.0
227.07101	1.1
233.05957	12.8
234.06764	2.2
235.07518	2.3
237.09143	6.7
239.07051	2.1
247.07565	2.8
249.05458	4.6
250.06271	9.4
251.07104	2.3
251.10693	0.8
252.07858	1.1
254.09387	1.0
261.05557	1.8
262.06030	1.0
263.07043	2.9
264.07819	5.9
265.05029	3.9
265.08612	15.5
266.09174	0.9
267.06555	2.3
277.05023	3.4
278.05719	5.6
279.06595	1.9
279.10013	1.6
280.07251	1.6
282.08887	3.2
283.09497	1.1
291.06531	2.1
292.07297	15.3
293.04489	4.9
293.08096	18.5
293.11353	1.1
294.08789	0.8
294.42508	0.7
295.05972	2.8
295.09323	1.0
297.11255	3.3
299.12823	4.1
304.03683	1.2
307.06152	1.5
307.09680	24.5
308.06781	21.4
308.10205	1.6
309.07498	1.7
310.08307	4.9
316.78043	0.8
319.06012	2.3
323.09189	9.7
325.10718	100.0
326.11032	3.0
336.06192	3.5
342.13364	1.5
351.08640	50.7
352.09311	0.9
368.11414	2.5
492.13293	1.4
492.20181	19.4
493.19901	0.8
509.22919	8.0
518.18048	5.5
585.23041	0.9
685.27405	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	681.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.1
53.03939	0.3
55.01855	0.1
55.05504	0.3
60.04525	0.1
65.03936	1.0
65.44571	0.1
68.99785	0.8
69.03434	3.6
70.06596	1.5
71.04989	0.3
71.56060	0.2
72.08151	0.4
73.02891	0.1
74.06075	0.2
79.05490	0.3
81.03426	2.0
84.04499	0.3
84.08157	0.6
85.02906	0.5
86.09716	1.0
87.00840	0.3
91.05487	7.5
93.07042	0.2
95.04988	0.3
97.02898	5.8
97.58893	0.2
99.04480	0.5
103.05469	0.2
105.03389	0.4
107.04957	0.4
109.02871	0.9
110.05991	0.1
110.07156	0.3
111.00798	0.8
111.04479	0.1
115.03894	0.2
119.04951	15.4
120.05227	0.2
120.08144	0.3
121.02871	3.0
124.33376	0.1
127.03914	1.3
129.10225	0.3
133.02846	0.5
135.04410	0.3
136.07587	0.2
136.44722	0.1
137.02333	1.1
137.06029	0.1
141.07043	0.2
145.04935	0.2
145.06537	0.3
147.04417	57.5
148.04745	0.6
153.01840	5.3
157.06471	0.7
161.05962	0.3
165.01842	2.2
165.05481	4.6
171.04433	0.3
182.39236	0.1
183.02969	0.9
183.97882	0.1
185.05954	0.6
203.06953	0.2
213.03748	0.2
213.05508	1.5
231.06717	0.7
241.04990	1.1
243.06422	0.2
258.05240	1.4
259.05951	0.7
270.05197	0.1
287.05508	100.0
288.05850	1.7
291.08643	2.1
299.05484	0.5
339.25357	0.2
365.06348	0.2
371.17432	0.2
386.33673	0.1
395.09845	1.8
440.69830	0.1
624.98810	0.1
680.50641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.5
57.03431	7.8
57.07072	11.8
61.02924	18.9
65.03932	4.9
67.05515	77.5
69.07082	30.5
70.06599	6.6
71.08623	6.3
71.54591	5.1
71.55080	8.6
73.02905	7.7
77.17502	4.8
79.05499	21.9
81.07063	100.0
82.89608	4.4
83.08636	22.1
85.02912	16.7
87.04453	3.9
88.07617	6.1
91.03963	15.0
91.05477	19.2
93.07069	28.3
95.04972	4.9
95.08616	88.2
95.15784	3.9
97.02908	17.3
97.06543	13.0
97.10190	17.2
105.07034	18.6
107.08606	18.3
109.10156	46.4
113.09661	7.8
119.08582	14.3
121.10182	23.9
123.11732	24.2
127.03989	6.8
129.51857	4.1
133.10170	15.8
135.11681	16.8
137.09578	4.0
137.13258	11.0
141.12790	5.8
145.04965	12.2
145.10069	5.0
147.11708	12.5
149.13257	15.4
151.14896	7.1
161.13252	16.5
163.06055	10.1
163.14857	15.6
165.16393	8.6
175.14839	10.2
179.17937	10.8
189.16423	7.0
193.05006	5.2
235.48096	4.5
245.22684	75.7
256.26535	6.5
257.26886	6.6
257.93405	4.5
263.23712	92.1
337.27377	74.8
343.40903	4.5
355.28586	6.4
499.32440	6.9
541.06689	6.1
581.76477	5.3
607.56903	5.1
643.88110	5.0
679.55042	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	680.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55937	7.4
55.01864	9.2
55.05511	20.6
57.70176	7.6
61.42679	8.9
67.05511	55.1
69.07069	24.1
71.55991	13.0
79.05494	43.5
81.07072	66.5
82.97716	8.3
83.04988	11.0
83.08624	21.3
91.05494	29.6
93.07054	32.0
95.04953	16.4
95.08627	33.0
105.07034	20.8
107.08619	25.5
109.06530	19.2
109.10165	16.9
110.24526	8.9
110.27593	9.5
112.01189	8.1
117.07037	10.4
119.08583	21.9
121.10175	15.4
123.08128	11.9
131.08537	11.0
131.42195	9.7
133.10103	13.6
135.11739	12.2
137.05975	95.2
146.58746	10.4
147.11673	15.3
151.07649	9.2
224.58388	8.6
277.18033	100.0
295.19080	19.8
337.27319	64.4
351.21768	34.0
400.89886	9.2
443.28723	8.9
444.08008	9.4
545.38190	12.5
567.95856	9.7
613.44702	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76593	1.5
53.03940	1.6
54.29507	1.2
54.84246	1.4
55.05516	10.8
57.03426	4.7
57.07072	3.2
61.02930	20.0
65.03934	1.9
67.05511	66.9
69.03425	3.3
69.07072	12.3
69.91499	7.7
71.04980	2.7
71.08627	1.7
73.02917	9.3
79.05499	44.4
81.03394	1.7
81.07063	79.2
82.19013	1.4
83.08627	7.6
85.02917	26.1
85.06526	3.9
91.03961	26.6
91.05479	22.3
93.07051	53.1
95.01348	1.7
95.04993	3.0
95.08616	56.6
97.02898	12.4
97.06537	3.2
97.10224	1.7
98.20757	1.8
99.03481	1.7
99.08112	2.9
101.02372	1.6
105.07047	15.6
107.08607	33.3
109.06571	1.6
109.10174	26.2
113.09686	1.4
117.07029	9.0
119.08595	15.2
121.10148	29.0
123.11716	16.1
127.03936	8.9
129.07028	2.0
131.08577	19.8
133.10153	13.4
135.11703	26.8
137.09644	2.0
137.13277	5.8
139.11191	2.6
145.04938	10.6
145.10136	13.5
147.11700	11.2
149.13266	19.5
153.12714	2.3
159.11725	13.7
161.13257	12.8
163.06044	17.6
163.14828	18.9
165.12753	3.5
173.13281	16.1
175.14742	2.0
177.12762	2.4
177.16388	7.3
179.14293	3.8
187.14856	7.6
191.14281	2.1
201.16521	2.8
205.93069	1.7
233.22594	3.4
243.21083	36.6
261.22174	100.0
263.23645	2.3
279.23291	3.4
335.25842	15.7
353.26917	31.8
386.50803	2.0
497.30652	3.0
535.66058	1.8
617.22473	7.6
645.21661	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	677.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92508	0.3
57.07066	0.5
59.61427	0.3
69.69286	0.3
70.42568	0.9
73.09721	0.3
108.55272	0.3
110.88479	0.3
185.04277	0.8
196.92389	0.3
203.05275	2.1
256.26352	0.4
259.07956	1.4
304.59622	0.3
320.17706	0.3
333.25040	0.3
347.09525	1.1
349.58597	0.3
365.10483	2.9
420.03781	0.3
421.13199	0.8
515.31952	19.6
516.32458	0.6
524.48505	0.3
551.95398	0.3
597.12408	0.3
648.44446	0.3
677.37195	100.0
678.37421	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	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.05510	17.3
57.03445	8.8
57.07071	4.9
61.02932	19.1
65.03942	3.2
66.86670	1.8
67.05510	83.3
67.05876	4.2
67.36856	2.0
69.03419	3.9
69.07065	13.2
69.36490	7.5
69.36919	6.8
71.04990	4.8
71.99095	1.7
73.02917	8.3
79.05499	45.2
81.03393	2.2
81.07062	92.9
83.04986	2.6
83.08605	8.2
85.02908	20.7
85.06525	2.5
91.03954	18.4
91.05492	24.8
93.06471	3.8
93.07047	60.1
95.04979	5.7
95.08612	78.1
97.02892	10.4
97.06536	3.5
97.10184	3.4
99.08089	4.0
103.03991	1.9
105.07041	18.9
107.07890	1.9
107.08601	35.6
109.02827	2.0
109.06550	2.8
109.10163	40.7
111.08027	1.9
113.09587	2.2
116.03577	1.7
117.07037	10.0
119.08588	16.6
121.10153	38.9
121.99995	1.8
123.08083	2.3
123.11720	21.9
127.03889	5.5
131.08575	20.8
133.10146	13.9
135.11702	31.1
137.13220	7.9
139.11194	2.6
145.04994	10.2
145.10129	19.2
147.11691	15.8
149.13263	22.9
151.11194	2.7
151.15002	1.8
151.47273	1.9
153.12685	2.3
159.11700	17.4
161.13272	11.3
163.06071	9.1
163.14848	16.4
165.12740	4.3
173.13287	18.4
175.14873	5.0
177.16402	4.2
179.14374	2.7
187.14859	11.8
191.14328	1.9
201.16484	4.3
205.15784	3.1
215.17741	2.2
233.22664	6.6
243.21100	34.2
261.22156	100.0
262.22641	2.5
279.23187	4.2
335.25775	36.9
353.26959	35.1
375.93350	2.0
497.30835	5.2
692.27338	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	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21756	0.5
69.28381	5.3
80.72295	0.5
81.07034	0.8
88.62656	0.6
91.05481	1.9
93.07035	0.7
105.07054	0.8
106.68323	0.7
121.06496	1.3
150.85963	0.7
151.07542	2.6
155.00641	0.7
394.37518	0.6
414.95044	0.6
453.15341	0.8
467.12790	0.8
468.14481	2.3
469.15015	8.9
470.15869	1.8
481.15308	2.5
482.15900	11.2
483.16660	11.8
484.17325	2.3
495.16391	0.9
496.17587	6.1
497.18237	43.0
498.18814	6.0
501.17804	0.7
510.19394	2.7
511.19971	5.6
512.20599	1.6
515.19403	1.8
523.16205	1.2
528.16510	2.3
538.20190	1.0
541.17462	1.2
542.18085	2.4
555.18817	1.3
556.19757	4.5
557.20239	3.3
569.20203	0.9
571.22021	1.3
616.21362	1.5
629.22656	1.0
643.23944	7.6
644.24792	9.8
645.25085	1.8
657.25671	8.2
675.26630	100.0
676.27002	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	674.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	2.2
55.19379	0.5
56.05017	1.4
57.03413	0.9
57.07079	4.2
60.04531	11.1
65.03909	1.5
67.05509	3.8
68.05009	2.1
69.03424	0.9
69.07076	4.1
70.06595	5.3
71.04957	1.3
71.08615	1.6
72.04489	1.1
74.71973	0.7
81.07054	3.9
83.08593	1.9
84.08148	0.7
88.07632	6.2
88.19910	0.7
93.07012	1.1
94.06544	1.8
95.08596	3.8
97.10122	0.7
98.06052	0.9
102.09190	3.9
109.10126	1.6
149.02368	18.4
149.03459	1.7
151.07419	0.8
165.05467	1.1
175.03856	0.8
183.10696	0.6
193.05000	7.4
212.23755	1.5
214.17830	1.1
224.23593	1.2
228.23259	16.6
242.24789	22.5
250.25290	4.3
262.25363	1.9
280.26355	9.7
298.27451	6.9
316.28476	100.0
317.28830	2.2
385.09198	1.5
403.05350	0.7
403.10043	3.6
429.11771	3.3
473.14377	4.3
674.35333	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	673.3773
Annotation	CHEBI:69144
Peak:m/z	Relative Intensity
55.05516	4.6
56.05036	6.3
57.03433	0.6
57.05823	0.5
58.06597	1.2
58.58867	0.4
60.04516	0.8
67.05511	0.6
69.03420	1.2
69.07061	1.1
70.06600	5.7
71.54963	0.6
72.08162	44.0
73.02928	0.5
74.06087	13.7
79.05469	0.8
81.03420	1.0
82.29702	0.4
84.04510	42.6
84.08140	1.6
85.02918	5.3
86.06075	25.4
86.09715	4.2
91.05508	0.5
94.06553	0.6
95.01326	1.7
95.08629	0.5
97.02901	1.1
98.09689	1.5
101.07157	1.1
102.05549	100.0
103.05897	0.5
107.08637	0.6
109.02895	1.1
110.07175	0.8
110.09668	0.9
110.85885	0.5
112.03957	2.5
112.07605	0.6
113.04248	2.3
113.07145	1.3
114.05540	42.5
119.04929	0.4
120.08096	1.0
121.10178	0.5
122.06046	4.5
125.05967	1.0
126.02479	0.5
127.03941	1.9
127.12353	1.1
128.10712	1.0
129.10254	1.5
130.05013	3.4
131.05275	0.4
132.10228	0.5
136.07631	0.5
137.05981	0.6
138.09166	1.3
139.07718	0.4
139.08646	2.0
140.07072	3.5
141.06624	0.7
145.01540	0.4
145.04938	0.5
149.01996	0.4
150.05528	11.1
153.05510	1.0
155.11783	2.6
158.08160	0.7
167.08180	21.2
168.06595	1.8
171.14987	2.8
173.09251	0.7
173.12874	7.6
173.14256	0.7
177.05521	0.5
183.11281	1.4
185.09216	6.2
187.07172	0.8
195.07671	39.5
196.08070	0.5
199.14482	2.5
201.08708	0.6
201.12401	2.9
203.10275	2.0
212.10466	0.4
213.08719	32.1
214.09006	0.5
215.05600	0.7
226.13795	0.6
227.11703	0.6
231.09807	1.3
231.16983	2.7
238.15515	0.5
243.09773	19.8
266.14954	2.1
271.10785	0.6
280.12903	0.6
284.12457	1.1
287.05389	0.6
298.13940	3.0
300.11923	3.7
300.15451	0.8
300.19070	1.0
308.12375	3.2
312.15521	0.9
316.15060	3.5
326.13483	77.5
327.13873	1.3
330.16617	0.4
332.31015	0.4
339.09799	0.7
344.14542	30.1
371.19534	0.9
397.20987	3.9
399.18726	1.4
415.21957	2.4
425.20343	66.6
426.20297	1.3
435.44778	0.5
443.21390	26.0
444.21732	1.0
524.27197	1.0
542.28168	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	669.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
58.61444	0.7
65.61115	0.8
67.05510	3.1
79.05506	2.8
81.07065	3.8
91.05493	2.0
92.48682	0.8
93.07073	2.2
95.08617	2.1
105.07072	1.2
107.08616	1.7
176.95502	0.8
195.05952	0.8
298.80234	0.8
317.21060	3.0
319.22574	1.8
373.23740	2.1
375.25021	1.8
669.47064	100.0
670.47430	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	670.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.5
61.07291	7.2
67.05496	12.0
81.07066	26.2
93.07059	8.0
95.08585	12.6
105.30399	8.0
107.08643	9.0
109.10108	10.2
111.04431	10.5
137.05995	66.1
199.59636	9.2
249.18619	10.4
277.17981	69.3
295.19223	16.8
313.27283	42.6
351.21777	43.4
430.81415	9.5
446.45633	9.0
589.44641	100.0
633.72601	8.8
685.86157	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	671.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05511	14.4
57.07085	11.3
67.05169	2.2
67.05508	24.4
69.03429	5.0
69.07074	46.3
69.63628	1.3
70.06596	15.6
70.72552	3.5
71.08624	5.5
72.08156	3.3
79.05511	8.8
81.03420	2.9
81.07065	82.1
83.08628	31.5
84.04507	3.2
84.08137	5.9
85.02900	16.0
85.06554	10.2
85.10160	2.3
86.09719	10.3
91.05458	3.3
93.07053	10.6
95.04956	1.9
95.08617	100.0
97.02892	4.2
97.10188	19.6
99.08092	7.2
105.07037	2.7
107.08604	13.3
109.10167	61.8
110.07150	1.8
111.08104	1.7
111.11732	16.8
113.09666	1.7
119.08536	1.4
120.08102	1.9
121.10164	7.5
123.11715	29.9
125.13276	8.6
127.03917	4.3
127.11221	3.6
129.10274	1.4
129.12778	4.9
135.11713	9.2
137.13266	17.1
139.14813	3.2
143.14317	6.1
145.04944	3.2
149.13286	18.5
151.07469	1.6
151.14835	28.1
153.12767	3.8
157.15849	2.3
163.14862	11.2
165.16383	12.5
169.15926	4.1
175.14928	1.6
177.16414	2.9
179.17972	5.2
183.17442	3.5
189.53833	1.4
191.17871	1.3
193.19514	1.5
199.20688	2.1
201.79619	1.3
205.19547	1.9
211.20544	1.3
219.21097	4.6
223.20589	1.7
237.22066	2.6
239.23599	2.7
241.81157	1.5
249.25656	2.1
267.26669	2.5
275.27396	12.8
281.28375	8.3
293.28427	36.5
299.29681	1.7
303.05109	1.7
311.29480	23.1
329.30591	8.6
401.30701	2.1
454.15683	1.6
513.56195	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01859	0.7
55.05516	15.4
57.07082	23.0
65.03939	1.2
66.60925	0.7
69.07058	0.9
71.02398	0.7
71.02752	1.5
71.05000	3.2
71.43033	0.7
83.04987	78.2
91.05483	5.7
93.07072	0.7
95.04968	2.9
98.98476	6.6
103.05473	0.9
105.07020	2.2
110.98436	1.2
112.99998	1.5
115.05408	0.9
117.07013	0.7
119.08545	2.5
128.06236	5.1
129.07002	11.5
132.09334	0.9
133.10135	1.7
141.06987	2.5
145.06461	1.7
145.10088	0.8
147.08052	6.2
147.11691	22.8
151.01549	2.6
155.06009	0.9
157.07629	2.0
159.08112	1.5
161.13248	1.2
169.07616	0.8
175.01556	12.3
181.02615	100.0
185.13243	0.9
187.01558	1.2
189.03127	40.2
189.16487	0.8
199.03801	2.9
222.05327	2.3
227.04701	19.8
239.04663	2.8
241.06239	6.2
241.19559	0.7
245.09360	4.7
257.05829	4.1
283.11014	6.2
297.12692	0.7
313.08325	1.2
313.11987	28.2
339.17136	2.3
369.18277	40.2
381.15839	0.8
383.19778	1.4
433.98190	0.7
487.23074	0.7
501.14484	1.0
510.10919	0.7
557.20770	17.0
613.26929	69.5
614.27203	1.9
638.30774	1.4
669.33136	84.4
670.33887	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	668.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01877	1.9
57.03443	4.1
61.02932	7.7
65.03939	0.3
65.64056	0.3
69.03437	14.9
70.06579	0.4
71.04993	1.6
73.02922	3.1
81.03424	5.5
83.01389	0.5
85.02913	100.0
85.13860	0.3
86.03265	0.6
87.04001	0.4
87.04459	2.0
91.03969	6.0
91.05479	0.8
97.02903	25.0
99.04469	3.8
101.02407	0.6
103.03938	1.0
108.45880	0.4
109.02885	7.7
115.03967	0.8
115.94932	0.4
119.04972	3.1
123.04487	0.4
125.09781	0.3
127.03926	26.7
128.04282	0.4
129.93427	0.4
138.52394	0.3
145.04973	56.8
146.05339	0.5
147.04422	20.0
163.06033	27.1
164.76706	0.4
165.05475	6.3
166.63873	0.3
181.06964	0.7
191.87007	0.3
271.08127	1.0
289.09207	2.0
309.09680	0.7
325.11313	6.7
326.11896	0.4
337.45328	0.4
363.82364	0.4
437.98123	0.4
558.01831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01870	2.0
57.03432	4.6
58.16013	0.4
61.02930	9.3
69.03432	15.2
70.06587	0.9
71.01312	0.4
71.04993	2.2
73.02932	3.2
81.03421	6.0
81.03864	0.7
84.04498	1.3
84.08160	0.7
85.02909	100.0
86.03242	0.8
86.09707	0.8
87.04465	2.1
91.03954	5.5
91.05464	0.9
97.02898	24.2
99.04458	4.5
101.02412	0.5
103.03971	0.6
109.02881	8.2
110.07186	0.4
112.55798	0.4
115.03939	1.2
119.04951	3.4
120.08130	0.6
127.03924	29.3
128.04243	0.5
129.10237	0.7
130.05014	0.7
136.07581	0.6
145.04967	64.9
147.04417	17.5
163.06024	28.0
165.05470	4.2
170.94962	0.4
271.08051	0.9
289.09262	2.0
325.11313	10.7
351.72009	0.4
490.79758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	7.3
55.01880	7.8
55.05515	57.6
57.03442	7.7
57.07075	8.7
59.52820	3.5
65.03941	4.4
67.05511	100.0
69.07079	33.9
71.05014	7.0
71.08637	31.3
71.47448	7.9
79.05498	59.0
81.07066	92.6
81.07526	6.4
83.05012	5.7
83.08629	37.1
91.05497	31.8
93.07049	44.9
95.04986	8.3
95.08611	65.5
97.06563	7.2
97.10179	57.2
97.10777	5.2
97.40604	3.5
99.08075	21.2
105.07020	24.9
107.08598	31.4
109.10174	25.6
111.08134	5.3
117.07085	5.3
119.08617	17.7
120.10294	3.8
121.10185	11.7
123.11767	6.9
125.09635	51.2
131.08539	4.8
133.10181	12.6
135.11751	7.0
137.13251	6.2
145.10153	9.0
148.88188	3.4
149.13272	7.5
151.11258	12.3
161.13303	12.3
163.11252	5.2
175.14977	5.0
179.14360	8.4
181.44046	3.7
189.11272	27.8
227.12828	97.1
235.10832	4.5
245.13911	6.0
245.22818	4.9
261.22165	3.9
263.23697	6.3
277.21640	21.6
279.23032	4.4
337.27371	54.5
338.28210	4.4
351.25333	56.2
353.27359	4.4
431.55551	4.4
435.34866	15.2
507.36880	63.5
515.41052	20.9
574.12823	5.3
613.48425	54.8
631.49127	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	666.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01872	5.0
55.05512	8.1
55.74826	0.7
57.03438	2.0
57.07063	1.5
64.45885	0.6
65.03929	1.2
67.05171	1.1
67.05509	16.5
69.07072	8.1
70.86694	0.9
79.05493	7.8
79.13272	0.7
81.07061	37.4
82.54818	0.7
83.04988	2.8
83.08643	4.4
91.05492	3.8
93.07053	8.2
95.04975	1.0
95.08614	14.1
97.06547	1.8
105.07028	5.1
107.08598	5.0
109.06517	12.1
109.10162	5.9
111.04453	13.3
111.08123	0.7
113.06017	0.6
119.08582	4.8
121.10157	4.2
123.08055	1.7
123.11693	4.2
125.06006	3.8
131.08557	2.0
133.10144	5.8
135.08066	1.7
135.11728	4.3
137.05988	100.0
137.13255	2.7
143.08611	0.9
145.10168	1.4
147.08015	1.4
147.11705	6.3
149.09656	3.1
149.13312	1.6
150.09006	0.7
151.07507	2.1
151.11243	1.0
157.10150	1.2
159.11722	1.3
161.09671	5.1
161.13264	2.2
163.11166	3.1
163.14871	0.8
165.09154	2.4
165.12704	1.1
167.10750	0.9
171.11676	1.3
175.11194	5.0
175.14807	1.4
179.10669	1.6
189.12692	0.9
191.68553	0.8
203.18033	5.2
213.16400	2.4
221.19025	1.7
231.17500	6.3
241.16093	1.0
249.18564	5.4
277.18018	55.3
278.18454	1.0
295.19101	11.4
337.27371	31.0
338.27759	0.7
351.21667	21.1
369.22522	1.3
475.70145	0.8
613.44666	65.8
614.44824	3.9
631.46008	3.3
669.38831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.7
55.05512	4.8
56.05029	4.9
57.86692	3.9
58.06607	15.6
58.99583	12.1
63.38421	3.2
67.05498	6.7
69.03410	3.5
69.07059	8.0
70.06603	21.2
71.25974	4.8
72.08146	3.6
73.01150	21.9
74.02453	6.0
76.02235	22.1
79.05503	6.0
79.23813	3.0
81.07039	3.4
82.06596	5.6
84.04512	100.0
84.08141	13.8
85.02895	14.5
86.09699	11.4
96.08137	24.8
97.02908	6.0
99.02682	46.7
99.05568	3.8
101.04258	5.8
104.98295	12.4
105.07022	4.0
112.03973	23.0
112.08670	3.9
113.04245	18.4
115.05784	4.0
116.01688	15.2
116.05330	55.2
116.07082	18.1
120.08078	4.0
121.06490	3.5
121.10136	4.0
124.07631	17.4
126.09154	5.2
127.02128	5.1
127.03922	5.5
129.06583	4.4
129.10240	4.1
130.05055	19.0
131.32306	3.2
142.03244	9.2
142.08640	11.4
144.01195	3.9
145.01411	3.7
147.02983	6.4
147.04219	3.1
162.02214	13.2
170.08148	93.4
177.03325	4.0
179.04849	31.0
202.05338	54.6
213.91351	4.3
215.05656	4.6
219.08009	77.4
220.08292	3.6
229.06537	3.7
245.05891	5.7
245.09561	4.2
273.08932	16.7
291.06631	4.1
348.12299	82.3
365.70529	3.6
666.37970	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	664.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11880	1.3
53.03959	2.1
55.05515	6.7
57.07076	4.1
59.04998	2.1
65.03940	2.5
67.05511	30.0
69.03429	1.7
69.07069	7.6
71.05000	3.7
71.29977	2.0
75.04479	3.4
78.11257	1.1
79.05493	11.9
81.07059	20.8
83.05024	2.9
83.08633	4.3
85.06541	2.4
85.10207	1.6
87.04467	3.4
91.05494	18.4
93.07057	23.2
95.04971	12.1
95.08617	48.2
97.02915	2.0
97.06544	5.8
99.04452	6.5
101.06035	6.7
103.05520	1.6
105.07038	27.1
107.08601	17.3
108.05765	4.0
108.81470	1.2
109.06506	4.9
109.10165	100.0
111.04452	1.4
111.08070	3.1
112.08858	1.4
113.09637	9.3
115.03938	1.9
115.05474	2.9
117.05508	20.7
117.06989	6.3
119.08588	34.2
120.09377	2.4
121.06528	4.3
121.10152	12.4
123.08093	15.2
123.11696	3.0
125.06001	1.5
125.09676	1.3
127.11194	2.2
128.06233	3.9
129.05519	8.0
129.07007	6.0
130.07828	2.8
131.08575	17.2
133.06383	1.4
133.10139	19.8
135.08063	4.4
135.11693	6.2
137.09616	23.1
141.07004	2.0
142.07782	9.7
143.08574	16.2
144.09332	4.0
145.10130	26.9
147.08078	6.8
147.11696	6.3
149.09613	3.7
155.07281	1.9
155.08755	6.2
155.10686	49.6
156.09352	6.2
156.11299	1.4
157.04950	2.1
157.10138	18.0
158.10934	4.1
159.08081	2.6
159.11707	14.5
161.09686	6.3
161.13269	3.0
165.07063	2.6
165.09258	1.4
167.08644	3.5
168.09367	2.0
169.10187	7.5
170.10959	4.2
171.11714	12.9
172.12488	2.6
173.09651	2.0
173.13286	11.9
174.10394	1.4
175.11278	3.0
175.14873	7.7
177.09245	1.6
177.12662	1.4
179.08575	3.5
179.10780	1.5
180.09303	2.7
181.10170	5.8
182.10960	2.7
183.11693	10.0
185.13264	5.4
187.11238	3.1
187.14764	7.1
189.07590	3.0
189.12720	1.5
193.10182	3.6
194.10843	2.2
195.11676	7.3
196.12547	2.2
197.09692	1.8
197.11754	1.6
197.13277	8.6
199.11255	1.8
199.14825	5.0
201.12816	2.7
201.16295	2.7
206.11020	1.3
207.11755	4.2
208.12611	2.9
209.13246	7.3
210.14192	2.2
211.11446	2.2
211.13280	9.3
211.14920	4.3
213.12813	4.4
217.15982	1.5
221.13301	4.7
221.20822	1.3
222.14018	2.2
223.11501	1.5
223.14812	6.4
225.16412	2.8
227.14406	2.0
229.14386	5.5
231.17577	1.3
235.14948	2.1
237.16324	3.0
239.17957	2.9
247.14877	1.8
248.15778	1.3
253.15918	1.7
253.19640	1.6
257.19342	1.3
262.47314	1.5
263.18204	1.5
265.19565	4.1
269.13879	3.6
271.15384	2.7
283.20557	3.3
297.22263	3.8
298.22894	1.6
301.16479	3.6
363.26956	5.7
393.27875	4.6
419.29401	4.2
477.30182	1.9
491.78113	1.4
664.43365	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	660.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	0.4
57.07080	3.6
70.06595	8.7
70.80273	1.1
71.08630	0.7
84.04501	0.6
84.08167	0.6
85.10185	0.5
86.06063	0.5
86.09691	0.8
88.07633	9.2
94.07488	0.4
101.04224	0.4
102.09186	2.6
106.08672	5.8
111.02672	0.3
111.78271	0.3
113.04217	1.1
120.08113	0.7
129.03712	0.4
202.21661	0.5
228.23187	4.7
246.24297	100.0
247.24525	1.7
485.15649	0.4
591.10431	0.5
635.97137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.2
53.03960	6.0
55.01864	3.9
55.05305	1.3
55.05516	15.2
57.03188	1.9
57.03441	24.7
57.07077	3.0
59.04989	1.3
61.02930	82.9
63.05561	1.0
65.03944	1.5
67.05507	45.9
69.03433	36.9
69.07070	18.4
71.01360	6.3
71.04983	4.3
71.08627	2.0
72.71525	1.1
73.02921	28.9
75.04490	2.1
79.05499	18.2
81.03420	27.8
81.07063	50.8
83.04993	4.7
83.08620	11.2
85.02910	100.0
85.06546	2.0
87.04462	3.6
89.32691	1.0
91.03959	58.2
91.05491	13.1
92.44220	1.2
93.07048	17.7
95.04970	2.6
95.08615	39.0
97.02898	80.9
97.06530	2.7
97.10178	5.0
98.20775	2.4
99.04465	11.7
99.08073	1.5
101.02386	9.4
103.03942	10.0
105.07033	9.4
107.08591	10.2
109.02888	14.1
109.06549	2.4
109.10164	17.7
111.04469	2.0
111.08090	2.8
111.11717	1.5
113.09669	1.4
115.03939	9.0
117.05489	3.0
117.07018	2.3
119.08613	9.3
121.06508	1.5
121.10175	8.3
123.08102	2.0
123.11732	8.0
125.05962	1.2
125.09636	1.9
127.03925	39.3
128.94882	1.1
129.05470	4.6
131.08525	4.0
133.10124	5.2
135.11664	6.0
137.13271	3.5
143.08661	1.9
145.04967	24.5
145.10095	2.0
147.11682	4.1
149.13235	3.8
151.11253	1.5
151.14809	2.4
153.12689	1.3
155.07063	1.5
159.06572	4.1
159.11717	2.3
161.13277	4.3
163.06024	5.1
163.14822	3.1
165.12801	1.2
165.16357	1.7
171.06494	2.3
173.13370	1.2
175.14845	3.2
177.16316	1.2
179.17989	1.4
183.06552	9.7
185.13297	1.4
187.14944	1.4
193.15903	1.5
201.07526	7.8
205.15993	1.2
219.08606	1.3
245.22629	10.3
261.22046	1.7
263.23721	18.2
275.23709	1.2
305.24695	1.9
317.24811	1.8
329.24667	1.4
335.25757	2.1
337.27374	93.6
338.27628	1.7
353.24838	2.5
365.26782	3.4
371.25772	3.2
379.28293	2.3
389.26755	2.4
397.96002	1.3
407.27933	2.1
421.29349	1.7
445.29285	4.1
463.30588	3.2
481.31488	10.0
499.32431	1.3
539.98102	1.1
661.37244	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09218	0.9
53.03931	1.0
54.38857	1.0
55.01862	4.1
55.05492	1.9
56.05030	2.2
57.03431	3.4
58.06599	10.1
58.99351	1.0
58.99591	9.2
61.01126	1.7
63.71167	1.0
65.03925	1.7
67.05492	4.5
67.79390	0.9
68.05044	1.3
69.03430	33.5
69.07061	2.8
69.96638	3.7
70.06599	16.3
72.08147	4.2
73.01144	37.2
74.00676	6.8
76.02229	30.0
76.04002	2.0
78.96764	1.1
79.05497	4.4
81.07078	1.3
82.06589	2.4
83.01346	1.6
83.04977	1.0
84.04042	1.9
84.04509	30.8
84.08129	5.1
85.02907	35.6
86.09718	6.4
87.04472	2.8
89.04282	1.0
95.01333	56.6
95.04974	8.6
96.08128	2.8
96.44599	1.1
96.92399	4.0
97.02881	2.4
97.06548	8.3
99.02684	26.6
99.04433	2.2
101.04251	1.9
101.07161	1.2
102.09161	1.5
103.03935	3.2
103.05445	1.1
103.97513	1.2
104.98309	10.5
105.97848	1.0
106.99872	4.5
107.04946	1.9
109.02843	1.4
109.06505	1.0
110.07153	2.9
112.03969	11.1
113.02370	3.8
113.05993	4.6
115.89330	1.1
116.01688	13.7
116.05318	61.7
116.07069	13.9
120.08109	3.5
123.04435	3.7
124.07586	3.3
125.05999	59.9
127.03921	6.3
129.10252	2.7
130.05011	9.2
131.04541	1.8
137.05936	2.0
138.09143	1.1
138.97052	4.5
139.19110	1.0
141.05486	2.5
142.03195	6.6
142.08661	2.2
143.07011	6.8
144.01149	7.2
145.04932	1.4
153.05472	48.4
162.02219	19.4
169.04877	1.6
170.02740	1.4
170.08131	22.0
174.27756	1.0
179.04857	29.4
187.06039	2.4
193.08632	2.2
199.07170	1.2
201.09361	1.5
202.05353	22.0
215.05510	85.9
219.07993	100.0
233.05917	5.3
242.99190	1.3
245.05952	2.7
245.09550	1.5
248.93405	1.1
255.08586	6.2
265.99490	1.1
273.09061	6.4
291.06262	1.6
308.09125	10.6
317.00961	2.5
331.09702	2.0
331.72720	1.2
348.12238	18.6
353.01831	5.2
373.14001	1.5
375.08350	1.4
393.09946	1.1
401.98062	1.0
428.03250	18.8
457.03912	1.3
531.05988	22.2
585.06763	8.2
660.10260	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	660.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06662	0.7
53.03946	1.0
53.64418	0.7
55.01867	4.9
55.05499	2.2
56.05048	1.9
57.03439	5.9
57.98797	0.9
58.06343	0.9
58.06604	8.8
58.22818	0.7
58.99585	7.8
61.01151	1.1
65.03943	1.6
67.01852	1.6
67.05492	2.9
67.83834	0.7
69.03435	45.8
69.07044	1.8
70.02962	0.7
70.06599	7.8
71.04983	1.0
72.08159	1.1
73.01141	12.0
74.00668	2.9
74.02442	2.0
76.02230	25.0
76.04018	1.9
79.05494	4.0
81.03438	0.9
81.07066	1.4
82.06562	1.3
83.01344	1.4
83.04995	1.7
83.06084	1.4
83.07362	0.9
84.04510	31.1
84.08136	2.6
85.02911	41.1
86.09714	4.3
86.99049	1.9
89.04259	1.4
95.01335	77.8
95.04962	4.2
96.08149	3.9
96.92413	2.3
97.02882	2.7
97.06535	7.2
98.20615	1.5
99.02053	1.5
99.02685	23.1
99.04432	1.2
101.04240	2.2
103.03946	2.7
104.98324	6.5
106.99873	1.7
107.04940	2.5
109.02847	1.5
109.06567	1.1
110.07154	1.1
111.04429	2.0
112.03983	11.0
113.02383	2.4
113.06022	1.9
114.03777	1.0
115.03915	2.4
116.01692	9.1
116.05326	52.5
116.07082	11.9
120.08125	1.5
121.06466	0.9
123.04412	3.1
124.07653	4.4
125.06000	65.2
127.02094	0.9
127.03931	3.0
129.06567	1.0
130.05025	10.6
135.04398	0.7
137.06064	1.4
139.03946	1.0
139.49953	0.8
141.05458	3.3
141.68903	0.7
142.03242	3.9
142.08641	3.0
143.07080	1.7
144.01173	4.2
144.04790	1.1
145.06105	0.9
151.03931	2.7
153.05478	70.7
155.08080	1.3
160.00632	1.1
162.02217	14.7
169.04926	1.9
170.02708	1.7
170.08133	22.8
172.04276	1.0
179.04869	25.6
182.06445	1.3
187.06050	2.0
197.04512	2.3
199.07306	0.8
202.05350	22.6
214.21637	0.9
214.87560	0.8
215.05518	100.0
216.05937	1.0
216.08629	1.1
219.08000	85.5
229.15921	0.8
233.05937	5.9
242.99341	1.4
245.05922	2.7
245.09573	2.7
255.08661	14.6
273.08984	6.4
291.06424	1.4
308.05832	1.4
308.09109	11.8
317.01080	2.8
322.59500	1.0
330.11267	1.8
348.12238	26.0
353.01736	1.6
354.01236	0.9
371.02231	1.7
375.08691	1.8
428.03275	8.7
446.05460	1.7
457.03638	0.9
531.06000	20.5
585.06891	7.1
660.10309	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	660.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01867	4.2
55.05498	2.3
55.97097	0.6
56.05023	3.0
57.03444	4.2
58.06606	11.1
58.99323	1.0
58.99591	11.0
59.96729	1.0
60.04528	1.0
61.01153	3.4
61.02919	1.2
65.03941	1.1
67.05507	3.8
68.05032	1.0
69.03434	33.2
69.07048	2.5
70.06596	13.5
70.31480	0.7
70.69229	2.1
72.08170	3.6
73.01145	39.0
74.00664	8.5
74.01050	1.1
74.02438	1.6
74.06026	0.9
76.02232	32.0
76.03989	1.6
78.53654	0.7
78.96793	1.2
79.05508	4.6
80.05013	1.1
81.03436	0.8
81.07030	2.0
82.06587	2.2
83.01316	2.1
83.06094	1.2
83.07361	1.1
84.04507	35.9
84.08155	4.1
84.08562	0.7
85.02908	39.5
85.04009	1.1
85.06555	1.4
86.09710	5.0
86.99068	1.6
87.04473	1.7
88.02229	0.8
89.04256	1.6
91.05462	1.0
93.07031	0.7
95.01332	57.0
95.04968	6.3
96.08141	4.1
96.92426	3.8
97.02880	1.6
97.06541	9.0
99.02683	25.5
99.04452	1.1
101.04245	2.0
103.03945	3.1
104.98323	12.9
105.07005	0.8
105.97830	1.3
106.99873	7.5
107.04940	1.9
107.99400	1.1
109.02885	0.9
109.06498	1.8
110.07179	1.9
112.03973	12.2
112.08663	0.8
113.02362	3.7
113.05994	4.3
114.03774	1.2
115.03986	0.7
116.01683	11.0
116.05322	60.7
116.07081	15.1
120.05685	0.8
120.08092	2.8
123.04460	3.3
124.07561	3.9
125.05998	50.1
127.02172	1.6
127.03922	6.8
129.06609	1.4
129.10246	1.5
130.05020	9.5
131.04514	1.6
133.01421	0.8
135.04506	0.8
136.07530	1.1
137.05951	2.2
138.97043	4.2
141.05428	2.3
142.03223	5.9
142.08614	3.9
143.07051	6.7
144.01169	6.7
144.04768	1.0
144.76938	0.8
145.03023	0.7
145.06087	1.2
147.03032	0.9
151.03915	1.1
153.05473	52.6
154.27740	0.7
155.08156	1.7
156.04852	0.8
160.00645	1.6
162.02205	18.7
169.04953	1.7
170.02759	1.6
170.08133	23.6
177.03287	1.2
179.04868	30.1
179.99707	1.2
182.06367	1.2
187.05876	2.8
193.08705	1.5
197.04538	1.1
199.07076	0.9
201.09328	0.9
202.05341	24.7
215.05510	77.9
216.08661	1.0
219.07994	100.0
233.05951	5.8
237.07649	0.7
242.99336	2.0
245.05846	3.2
245.09485	1.9
251.05168	2.6
255.08527	5.3
269.17569	1.5
273.09027	4.7
283.02380	1.0
291.06570	1.1
305.05988	0.9
308.09125	10.0
317.01184	3.3
330.10767	1.2
331.09595	1.1
335.84204	0.7
342.20480	0.9
343.03073	0.8
348.12244	18.7
353.01825	6.1
354.01706	1.0
358.02472	0.8
371.02353	1.0
373.14059	1.1
375.08502	1.6
393.09476	0.8
428.03174	12.7
446.05490	1.1
457.04044	2.8
531.05981	29.5
531.13922	1.6
585.06866	10.3
660.10162	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	659.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.4
53.72480	1.0
55.01875	4.3
55.05521	7.5
57.03439	18.8
57.07077	1.3
60.23487	0.9
61.02929	79.4
65.03953	2.3
67.05508	33.3
69.03432	31.8
69.03812	1.5
69.07070	8.4
69.29617	8.8
70.06573	1.1
71.01346	4.3
71.04986	5.0
73.02923	21.8
79.05496	25.5
81.03425	22.0
81.07057	37.7
83.01350	1.9
83.04975	4.8
83.08618	3.1
85.02909	100.0
85.06512	1.1
87.04474	2.7
88.07665	1.2
91.03959	54.8
91.05485	17.2
91.63396	0.9
93.07048	26.8
95.04052	1.2
95.05010	5.2
95.08610	29.3
97.02897	75.6
97.06532	3.3
97.10166	2.5
98.20772	1.8
99.04464	14.6
100.73898	1.2
101.02366	7.7
103.03947	7.8
103.09721	1.2
105.07032	14.1
107.04987	1.3
107.08608	16.6
109.02889	12.8
109.06479	2.8
109.10160	13.5
111.04447	3.8
111.08113	2.2
115.03920	6.6
117.05490	3.2
117.07005	4.9
119.08572	7.9
121.06497	1.0
121.10149	13.8
123.11710	5.1
127.03929	35.8
129.05518	5.9
129.06998	2.1
131.08565	8.8
133.10130	8.8
135.08090	1.4
135.11696	11.4
135.33479	1.0
143.08562	3.5
145.04973	24.3
145.10150	8.3
147.11726	5.8
149.02354	2.6
149.09653	1.6
149.13264	6.2
157.10165	1.4
159.06558	1.6
159.10507	1.2
159.11688	6.8
161.13246	4.4
163.06018	9.1
163.14818	3.1
169.10199	1.1
171.06589	1.4
171.11742	2.2
173.13298	6.0
175.14874	2.9
177.12775	1.1
177.16399	1.5
183.06622	5.2
185.13329	1.5
187.14859	2.7
197.13167	1.6
199.14839	2.0
201.07579	4.2
215.17822	1.2
237.07724	1.3
241.19606	1.2
243.20975	6.5
256.26334	2.1
259.20645	2.9
261.22162	17.6
273.22290	1.7
277.21701	1.2
281.87592	1.2
285.22070	1.1
303.23145	1.7
317.25092	1.3
327.22946	1.3
335.25797	69.9
345.24323	1.2
353.26514	1.1
356.56232	1.0
363.25656	3.1
369.24152	3.7
377.27164	1.2
380.02634	1.3
386.09726	1.6
387.25323	1.1
431.88821	1.1
443.27832	3.1
461.28989	3.1
479.29877	6.0
497.30838	3.2
659.36145	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	659.2264
Annotation	Sorocein B
Peak:m/z	Relative Intensity
54.20236	12.1
60.31247	10.1
63.08102	10.9
71.56531	14.8
79.05473	14.9
81.07053	23.7
81.92454	10.2
89.06049	61.6
91.05487	16.2
93.07041	19.8
94.82782	10.5
133.08601	21.4
137.04352	10.8
170.69907	13.8
196.79147	11.0
659.22906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
65.03946	2.2
70.06577	0.8
70.70811	1.0
70.71155	1.6
79.05485	1.1
91.05492	41.1
93.07069	7.7
94.11439	0.8
95.04982	5.8
103.05479	6.0
107.04986	1.2
119.04957	27.7
121.06521	67.6
123.08058	1.2
136.05217	2.8
137.06004	3.0
137.82622	0.7
151.07561	100.0
152.07909	1.9
233.06436	0.7
325.10861	1.1
353.10126	2.5
408.15027	0.7
549.42975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
56.34777	0.7
65.03936	2.4
70.06608	7.8
70.29768	0.8
71.54749	1.3
72.08133	1.0
73.16114	0.8
84.04493	2.2
84.08160	0.9
85.92792	0.7
86.09716	1.7
89.03896	1.1
91.05487	32.3
92.05836	1.2
93.07047	6.3
95.04979	7.4
103.05486	5.8
113.04237	1.1
116.05294	1.0
117.03429	4.5
119.04956	21.1
121.06515	54.1
122.06823	1.7
129.10245	1.4
130.05020	0.8
136.05234	2.4
136.77005	0.8
137.05981	9.7
145.02850	14.2
149.06001	1.4
151.07555	100.0
152.07896	2.9
164.51349	0.8
168.10201	1.3
170.08200	1.2
177.05487	30.6
185.09848	1.4
194.08136	1.9
217.04999	3.0
218.08089	10.0
219.08054	1.0
225.10268	2.1
226.10512	1.4
239.11720	0.9
240.12598	6.2
241.09924	1.2
241.13086	5.8
242.13586	1.0
248.09207	36.5
266.10196	1.6
267.11267	2.4
268.11752	1.6
271.11444	0.7
271.77747	0.9
274.10965	0.8
280.36478	0.8
293.08264	0.8
314.13803	3.8
340.10199	1.8
344.15115	4.9
353.10452	1.0
367.09338	1.1
385.10605	0.9
520.19562	1.7
538.20532	1.7
560.28912	0.8
608.22113	0.8
640.24713	3.1
658.26337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.04258	1.5
55.05516	7.3
57.03443	2.8
57.07081	41.3
58.56575	1.5
61.02935	12.1
67.05508	17.4
69.03428	2.4
69.07079	12.3
71.08641	26.2
71.55336	1.3
72.50394	1.5
73.02911	3.8
75.04464	3.7
79.05470	5.4
81.03378	1.7
81.07070	20.7
83.08626	9.8
85.02910	13.7
85.10185	14.8
91.03961	12.1
91.05496	11.9
93.07071	9.3
95.04977	3.9
95.08055	2.6
95.08614	31.6
97.02899	4.7
97.06553	1.9
97.10179	5.4
105.07043	15.1
107.08620	8.9
109.06509	2.1
109.10161	13.7
111.11703	2.1
113.04272	2.1
117.07037	3.9
119.08592	19.9
121.10159	8.3
123.08041	3.0
123.11710	6.1
127.03893	3.0
128.06268	2.3
129.06990	2.2
131.08614	8.2
133.10136	27.2
135.11694	3.9
137.13293	3.3
142.07832	3.5
143.08568	7.5
144.09372	1.8
145.04976	6.7
145.10135	10.9
147.08075	3.2
147.11658	2.2
151.07527	3.6
156.09355	5.2
157.10132	9.7
158.11002	2.0
159.11699	6.1
163.05994	8.3
165.09119	5.5
169.10143	6.2
170.10934	2.0
171.11708	11.7
173.09671	1.8
173.13266	10.0
175.05832	1.8
175.14877	2.0
181.10161	4.5
183.11688	4.9
185.13301	3.6
187.14836	4.2
189.12744	3.7
193.10233	2.4
195.11708	3.2
196.12503	2.4
197.13222	3.6
199.14842	5.5
203.14394	2.6
207.11780	3.2
207.13770	3.2
209.13345	3.5
211.14838	8.2
221.13422	2.3
221.15408	7.0
223.14772	2.5
233.15475	2.1
239.23715	30.0
257.24802	2.1
261.16376	1.9
275.20267	2.2
277.19748	2.2
279.20944	1.9
313.27390	100.0
331.28534	15.1
541.49384	1.6
553.44678	1.8
566.41302	3.2
619.25604	5.1
637.26508	7.6
637.40448	2.5
655.27502	6.5
655.41693	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78075	1.3
53.03920	1.3
55.05498	4.5
57.03432	3.7
57.07080	40.0
61.02925	8.5
62.10368	1.1
65.03922	2.0
67.05502	10.5
68.28046	1.2
69.03414	1.4
69.07077	8.8
70.81574	3.3
71.08636	29.6
73.02903	3.2
75.04470	2.1
76.44095	1.1
79.05486	3.3
81.07063	15.7
83.04956	2.1
83.08624	11.5
85.02898	9.3
85.06554	1.3
85.10186	16.4
91.03965	8.7
91.05486	2.8
93.07043	4.5
95.08613	20.7
96.00212	1.3
97.02879	5.9
97.10143	5.0
99.11687	1.3
105.07008	6.1
107.08601	4.2
109.06509	1.2
109.10174	10.9
111.75241	1.1
113.04259	1.6
117.06982	1.5
119.08572	7.7
121.10138	3.5
123.11715	6.1
125.13231	1.6
127.03929	2.6
131.08575	2.7
133.10124	9.9
135.11664	1.8
137.13239	2.3
143.08606	2.7
144.09270	1.1
145.04950	3.7
145.10114	5.4
147.11707	2.7
149.13235	1.2
151.07581	1.7
155.08588	1.6
156.09354	1.9
157.10124	3.5
159.11703	2.1
163.05974	5.5
165.09171	1.8
170.10910	1.3
171.11736	1.8
173.13223	3.5
181.10159	1.4
183.11671	1.9
187.14734	1.3
197.13225	1.7
199.14821	1.4
211.14792	4.0
221.13304	1.6
221.15363	3.1
239.23691	27.6
244.81021	1.1
247.67059	1.2
257.24820	5.8
313.27374	100.0
314.27728	3.1
331.28485	13.7
475.32813	1.9
529.66321	1.5
595.28601	1.4
623.27722	2.5
637.40338	2.1
649.77539	1.1
655.41455	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	655.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
67.05518	1.8
69.07069	1.3
69.63169	1.2
69.63577	3.0
73.15157	0.6
79.05495	2.2
81.07058	1.7
83.05017	0.6
91.05480	3.6
93.07067	3.7
95.04964	1.0
95.08624	1.7
98.20831	0.9
100.49284	0.7
105.07040	4.5
107.08617	3.7
109.06553	0.7
109.10156	1.8
117.07036	0.9
118.88586	0.6
119.08586	5.6
121.10149	3.0
123.08092	1.0
125.09681	0.8
129.06993	0.7
131.08580	3.0
133.10143	8.8
135.08066	1.4
135.11777	1.1
141.35361	0.6
142.07793	1.2
143.08592	3.1
144.09323	0.7
145.10117	4.6
147.08046	0.8
147.11711	1.4
149.09698	0.8
151.07616	0.7
155.08635	0.8
156.09453	1.3
157.10170	2.9
159.11714	1.9
163.11197	0.9
165.09161	1.2
167.10722	0.9
169.10146	2.0
171.11742	2.2
173.13307	2.6
181.10187	1.1
182.10852	0.9
183.11740	1.1
184.12517	0.8
185.13362	2.0
187.14894	1.8
193.10283	0.8
195.11757	1.4
196.12531	0.9
197.13290	1.8
199.14896	2.0
203.14400	1.1
207.11710	0.6
209.13373	1.3
211.14888	2.6
215.14218	0.6
221.13362	0.7
221.15421	2.4
223.15012	1.0
233.15424	1.0
237.16458	0.8
239.18030	1.1
249.16478	0.7
251.17992	0.7
305.39362	0.6
391.19427	1.0
405.16830	1.2
407.22455	4.0
418.17691	0.8
419.18661	2.1
420.19070	1.0
421.20468	1.6
433.20694	4.0
434.21216	4.4
435.21826	7.0
441.16177	0.6
447.17929	1.9
448.23193	0.9
449.19501	1.4
461.19330	1.4
462.20566	3.6
463.21338	3.5
475.21039	1.4
476.22363	1.2
477.22644	1.0
489.23004	1.1
495.24112	1.4
507.20547	0.8
508.24573	2.1
509.25836	1.4
521.25580	10.7
522.26599	0.8
535.27649	0.6
549.25043	16.8
550.25696	1.0
553.24664	1.0
563.26764	3.4
564.27045	0.8
577.24615	0.7
581.27924	3.2
595.29285	9.3
596.29852	0.9
609.27081	9.8
623.28644	2.0
637.41138	1.1
655.31256	100.0
655.40637	5.9
656.31616	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	655.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83428	1.0
53.03934	3.9
53.30868	0.9
55.05515	21.0
57.07081	18.5
63.06861	1.0
65.03928	2.0
67.05491	2.4
68.55498	0.9
69.07047	1.0
69.37729	7.5
71.04978	4.0
72.55678	1.1
79.05487	3.4
81.07033	2.8
83.04989	92.9
91.05504	9.9
93.07011	3.4
95.04946	4.2
95.08581	3.3
96.23168	1.0
98.98476	5.7
105.07041	6.2
107.08559	3.4
109.10155	1.1
115.05444	3.2
117.06983	1.3
119.08601	5.0
121.10125	1.8
128.06226	6.6
129.07019	15.0
131.08563	3.0
133.10156	6.0
141.06975	3.0
142.07790	1.8
143.08539	1.7
145.06429	2.0
145.10121	3.6
147.08061	10.0
147.11696	15.2
151.01567	3.2
155.06003	1.5
157.07581	3.0
157.10063	2.9
159.08051	2.0
159.11693	1.7
169.07599	1.9
169.10019	1.9
171.11667	3.4
175.01582	49.0
181.02621	74.8
183.11729	1.6
185.13197	1.5
187.01602	2.4
197.13306	1.7
199.03645	2.0
207.13757	1.1
209.03674	1.8
211.14861	1.4
221.15349	2.1
222.05206	1.4
227.04710	30.2
231.07782	2.1
239.04596	3.4
257.05771	9.4
283.10995	8.8
313.12021	48.9
331.12857	2.7
369.18283	21.4
487.13080	5.3
543.19116	56.4
599.25354	100.0
600.25372	3.4
637.39917	1.5
655.31152	45.6
655.40613	5.5
656.31244	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1507
Annotation	Tamarixetin 5-glucoside-7-glucuronide
Peak:m/z	Relative Intensity
51.41036	0.1
51.47335	0.1
53.03921	0.4
55.01848	0.3
56.14484	0.1
57.03398	0.5
58.30399	0.1
61.02935	0.9
65.03910	0.2
67.80937	0.1
68.99770	0.2
69.03436	2.3
70.06562	0.1
70.94806	0.3
71.04971	0.2
73.02899	0.3
81.03413	0.9
85.02911	6.3
87.04425	0.3
91.03925	0.3
92.02596	0.5
93.03384	0.6
97.02306	0.1
97.02895	2.3
99.04417	0.5
108.13680	0.1
109.02893	0.6
111.00825	0.2
112.54077	0.2
121.02877	0.7
126.03101	0.3
127.03928	1.5
137.02347	0.2
139.03941	1.0
145.04944	1.2
151.03943	1.0
151.04997	0.2
153.01837	5.5
163.03870	0.2
165.01793	0.5
177.05415	0.2
183.02892	0.2
200.04726	0.2
201.05475	0.5
203.03409	0.4
217.05025	0.5
218.05696	0.6
228.04176	1.0
229.04965	2.5
231.02789	0.3
245.04482	0.7
246.05267	1.4
256.03677	0.3
257.04465	2.4
260.03265	0.2
261.07608	0.5
271.06149	0.2
273.03909	1.5
274.01663	0.2
274.04721	4.0
284.03171	0.4
285.00784	0.3
285.03973	4.1
286.04285	0.3
302.04236	12.5
303.04565	0.2
317.06570	100.0
318.06909	2.3
329.06717	0.2
359.07666	0.2
479.11993	0.2
493.09808	19.5
494.10065	0.6
614.39307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32492	0.1
53.03944	0.4
55.01869	0.4
57.03427	0.6
57.25283	0.2
59.26639	0.2
61.02927	1.1
68.99783	0.2
69.03433	2.2
69.23882	0.1
70.37598	0.4
70.37980	0.3
71.05006	0.3
73.02905	0.5
78.74148	0.2
79.03182	0.1
81.03434	1.2
85.02912	6.9
87.04449	0.3
90.12785	0.1
91.03941	0.3
92.02623	0.5
93.03415	0.8
97.02897	2.6
99.04432	0.4
100.27370	0.1
108.61088	0.2
109.02905	0.8
111.00836	0.2
118.32930	0.2
121.02898	0.9
125.48867	0.2
126.03072	0.2
127.03933	1.4
137.02357	0.3
139.03883	0.5
145.04953	0.9
151.03902	0.6
153.01831	5.1
156.55717	0.1
165.01860	0.6
173.06102	0.1
183.02924	0.3
184.31319	0.1
196.63754	0.2
200.04776	0.2
201.05431	0.4
203.03493	0.3
205.04955	0.2
217.04919	0.5
218.05717	0.3
219.02977	0.2
228.04156	0.8
229.04964	2.6
231.02788	0.3
243.06612	0.2
245.04454	0.8
246.05278	1.3
256.03772	0.3
257.04514	2.3
260.03271	0.4
260.63791	0.2
261.07593	0.3
271.06015	0.2
273.03915	1.2
274.04752	3.8
284.03122	0.3
285.03979	3.9
286.04620	0.2
302.04227	12.5
303.04584	0.3
312.17538	0.2
317.06570	100.0
318.06918	2.4
330.82736	0.2
493.09808	18.6
494.10178	0.4
593.18066	0.2
660.59180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51236	0.4
52.22746	0.4
54.25825	0.4
55.05509	0.7
57.07076	0.7
58.06605	5.4
69.07082	1.9
72.08154	2.3
73.06555	1.8
81.07079	0.5
81.45368	0.6
83.04987	2.1
86.09712	29.1
98.06078	0.6
98.21546	0.6
99.13540	0.5
100.11263	100.0
101.06015	1.7
107.08663	0.4
119.08627	0.6
145.10077	0.6
146.11763	3.0
154.15887	3.3
168.13844	1.4
172.13358	1.5
179.10431	0.4
182.15373	0.5
186.14919	1.1
200.16452	1.0
210.15059	0.4
214.14438	1.2
225.16071	0.9
228.15996	5.0
242.24045	0.4
285.21780	5.8
313.21359	0.6
313.24841	8.8
327.22900	0.9
341.24384	13.4
357.45282	0.5
375.40289	0.5
392.63361	0.5
409.26898	0.8
454.32825	2.5
472.33762	5.2
498.35059	0.5
526.35315	0.7
554.38385	0.6
625.45386	31.2
626.45575	1.8
653.44867	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	654.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05032	0.9
58.06602	0.8
58.99581	0.3
60.04502	0.3
61.01163	0.4
62.35013	0.3
67.05505	0.4
69.03427	0.7
69.06723	0.4
69.07076	7.2
69.24426	2.5
70.06598	3.0
70.27592	0.3
72.08160	1.0
73.01135	0.8
81.07076	0.5
81.52910	0.3
83.04954	0.3
84.04516	5.4
84.08161	1.4
85.02908	0.9
86.09714	100.0
87.05611	3.0
87.10043	0.7
87.19415	0.3
89.04269	0.6
91.05494	0.5
92.98325	2.4
93.07045	0.4
95.08612	0.4
97.02889	0.7
97.06548	0.3
98.06074	0.6
98.09708	1.6
99.02691	0.9
101.07143	4.0
110.07185	0.7
115.05051	3.7
116.05345	1.1
118.99883	0.6
120.08118	0.8
124.07607	0.3
125.06075	0.3
127.03938	0.3
129.06604	3.0
129.10258	0.8
130.04993	0.3
132.10211	9.1
132.11160	0.6
136.07587	0.5
141.06604	4.5
143.11813	1.1
155.11815	0.7
157.13373	0.8
158.09248	0.6
162.87152	0.3
165.05423	0.3
166.36029	0.3
167.00233	0.6
170.08170	1.0
171.11299	4.2
181.09807	0.3
181.13440	0.4
183.11340	1.0
186.08760	6.9
197.12862	6.0
197.14476	0.4
199.10800	0.6
202.05392	0.7
203.13936	4.2
209.12917	2.0
209.16495	0.3
219.08015	1.1
223.14577	0.3
225.12503	1.5
228.13458	4.0
235.92035	0.3
237.02916	0.3
237.12357	0.8
245.16119	0.3
254.14909	0.6
260.16092	1.8
271.17676	2.5
273.09015	0.3
299.17191	5.0
310.21286	3.8
311.17130	2.0
312.25555	0.3
317.06921	0.4
317.18204	5.1
338.20761	8.5
338.24707	0.5
339.16684	1.2
339.20529	0.3
348.12341	0.8
367.23343	0.4
379.23291	0.6
395.22928	7.7
407.23401	0.3
410.20230	0.5
424.25528	5.6
430.26630	3.5
452.25089	35.9
453.25278	0.8
478.26920	0.5
495.29501	2.3
505.27997	0.3
523.28802	8.2
636.36981	0.7
654.79230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11988	0.7
53.03949	1.3
55.01872	2.2
57.03447	4.6
61.02928	8.6
61.75772	0.7
63.65430	0.6
69.03074	1.0
69.03435	13.7
71.01331	0.7
71.04971	1.2
71.27961	1.5
72.08175	0.8
73.02917	2.8
75.94312	0.7
81.03442	4.7
85.02912	100.0
87.04450	1.6
91.03963	5.1
97.02904	24.2
99.04440	3.7
101.02374	0.6
103.03967	0.9
109.02879	8.2
115.03957	1.1
127.03925	26.6
144.19734	0.7
145.04971	57.3
159.10315	0.8
163.03996	4.6
163.06023	25.7
237.02962	1.2
289.09253	2.0
325.11362	7.1
460.77383	0.7
610.02820	0.7
653.85962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40088	0.9
53.03943	1.3
54.61633	1.0
55.01867	2.6
55.52510	0.9
57.03439	3.9
61.02932	6.5
69.03439	13.9
69.88722	4.2
71.01369	1.0
71.04987	1.5
71.61404	1.0
73.02918	3.4
81.03423	5.6
85.02912	100.0
86.09713	1.1
87.04461	2.5
91.03956	5.6
97.02900	23.5
98.20777	0.9
99.04472	5.2
109.02894	8.9
115.08681	0.8
127.03934	27.0
145.04971	56.9
162.52455	0.9
163.06027	33.6
289.09271	2.2
319.09793	0.9
325.11295	7.7
585.16791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.4
57.03442	2.1
58.99591	32.2
61.01154	36.5
63.80814	1.6
65.03938	4.2
67.05510	12.3
69.07071	45.8
70.06595	4.5
70.99580	5.3
71.55946	2.0
72.00355	2.4
72.21054	1.9
73.01147	24.9
79.05493	9.0
81.07065	2.9
84.04506	3.5
85.01124	1.8
86.09737	2.5
87.02692	3.2
88.99873	1.8
89.00608	2.2
90.01365	1.9
95.04976	6.5
95.08636	2.5
96.05785	10.4
97.01121	3.1
97.06531	34.7
99.02687	10.6
101.04250	48.1
102.96772	1.9
103.97549	6.5
104.98320	72.5
107.08581	3.6
109.10172	3.5
111.02666	19.8
112.03463	15.8
112.53957	1.5
113.04237	100.0
114.05025	3.4
115.02151	4.1
115.07543	2.4
121.10126	3.3
123.08069	2.7
127.02164	3.9
129.03708	88.1
130.04491	14.2
131.05269	21.4
133.01424	5.6
136.95499	11.0
141.07306	2.3
142.99852	14.9
144.00612	3.3
145.01425	10.8
152.06511	2.2
161.00897	24.7
163.02484	1.7
169.06824	3.1
203.05588	4.7
226.11223	1.9
235.02859	9.0
473.56674	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	649.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56430	0.8
52.74939	0.9
53.03929	1.6
55.01862	1.9
55.05507	1.1
56.05027	1.5
57.03432	4.2
61.02936	9.4
64.89759	0.9
67.65538	0.8
69.03435	13.4
69.66487	3.9
69.66901	2.2
70.06586	8.3
71.04990	2.5
72.08151	4.7
72.17609	0.9
73.02928	4.8
75.58601	1.2
81.03428	6.3
81.07051	1.0
84.04515	5.0
84.08141	5.0
85.02907	100.0
86.09704	7.5
87.04458	1.1
91.03957	11.3
97.02895	24.6
98.21387	1.9
99.02635	1.0
99.04442	3.3
102.05536	2.2
109.02891	7.3
120.08101	3.0
127.03920	28.5
129.10240	2.7
130.04965	1.4
136.07587	2.2
145.04964	57.6
163.06030	32.7
179.04878	1.1
217.20731	0.9
219.07924	1.3
289.09225	1.9
303.09781	1.2
325.11359	8.0
333.09366	0.9
341.02499	0.9
348.12225	1.6
387.19180	1.0
435.31604	1.0
549.61304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81824	1.4
55.01868	5.9
55.05508	1.9
56.05046	8.0
57.03431	1.6
58.06607	13.6
58.99588	9.0
60.99230	2.0
62.36765	1.5
65.03947	2.9
67.05521	3.4
68.05042	2.9
69.07071	1.9
70.06601	25.4
71.55783	2.0
72.08160	10.6
73.01150	11.7
74.00674	1.4
74.02448	4.5
74.06085	2.5
76.02230	17.1
76.04007	3.0
80.46340	1.3
81.03438	1.4
82.06582	2.5
83.06119	2.3
84.04512	100.0
84.08154	8.7
85.02901	5.8
86.09725	15.1
86.99022	1.4
88.03995	2.1
91.11545	1.2
96.08134	20.7
99.02688	41.2
101.04239	4.6
101.07128	3.9
102.05541	2.2
109.02898	1.6
110.07188	2.9
112.03981	21.6
114.03770	1.4
116.01704	13.3
116.05329	57.3
116.07094	20.0
119.31261	1.5
120.08118	4.8
124.07603	19.6
126.03784	1.6
126.09160	5.1
127.02168	1.4
127.08694	2.7
128.04146	1.4
128.07130	1.4
129.06613	2.2
129.10278	4.6
130.05025	12.2
130.48161	1.4
131.04561	1.7
136.07635	1.8
136.16869	1.4
142.03236	9.0
142.08659	11.5
143.11838	2.8
144.01164	3.4
145.03191	2.0
153.05504	1.9
155.08128	1.4
160.00604	2.7
162.02199	11.2
170.02679	2.3
170.08147	84.8
171.11322	2.8
179.04880	24.9
182.06375	2.8
202.05356	50.3
206.61620	1.6
213.12399	7.9
219.08008	71.7
221.12872	2.9
227.08548	1.6
241.13594	1.4
245.05927	4.7
245.09619	5.4
267.11270	3.7
268.11508	4.0
273.09045	16.3
285.12326	6.1
286.12555	5.7
291.06509	4.2
303.13525	4.8
304.13678	5.8
330.11200	3.9
348.12274	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01862	0.7
56.05017	1.1
62.10437	0.6
65.03938	0.7
67.05508	4.6
69.07043	1.6
70.06598	8.2
71.55015	0.6
72.08119	2.1
79.05486	3.2
80.04987	2.0
81.03382	0.9
81.05779	1.2
81.07034	1.0
82.06574	1.2
84.04499	2.8
84.08144	3.0
85.02882	1.3
86.09705	5.4
91.05479	3.4
93.05753	1.1
93.07044	6.9
94.06016	0.8
94.06570	11.4
95.04969	1.4
95.06831	0.6
95.07361	8.0
95.08598	1.3
96.08138	18.8
97.02851	0.8
97.06506	1.8
103.05450	1.2
106.06563	0.9
108.04478	3.1
108.07425	0.9
108.08122	14.3
109.02811	0.6
109.08916	0.5
110.07157	1.3
110.09688	32.0
116.07070	0.9
117.22948	0.5
118.06481	0.6
120.08110	22.9
120.53630	0.5
121.06449	0.9
122.05182	0.7
122.06039	14.0
122.09604	1.3
124.07561	2.4
127.03881	0.8
128.84393	0.6
129.10216	1.5
129.40257	0.5
132.04385	1.5
134.06018	2.3
136.06638	0.8
136.07594	10.6
138.05504	0.7
138.09143	37.4
144.04448	0.9
146.06003	1.4
148.07573	6.6
150.09158	4.2
152.07095	4.4
160.03938	7.8
162.05540	1.0
164.07086	3.2
166.08646	46.1
167.09021	0.7
168.10176	1.5
172.03993	3.2
172.07576	0.7
174.09126	1.0
178.04974	2.5
183.09016	0.6
187.08646	0.6
190.05031	2.2
197.07152	0.6
197.10721	2.0
198.11530	0.8
199.08572	2.8
204.06564	5.7
209.10828	1.8
209.78012	0.6
210.11548	0.8
211.08633	4.4
211.12271	5.0
212.09471	1.7
212.13246	0.6
213.10291	4.4
221.10741	1.2
222.09558	0.6
222.11565	1.8
223.08693	9.9
223.12299	2.3
224.09407	1.8
224.13005	1.6
225.10236	27.2
225.13834	2.2
226.10974	7.8
227.08124	0.7
227.11769	5.2
229.13362	0.9
235.08641	2.3
235.12308	1.9
236.09348	2.8
236.13031	1.2
237.06639	1.1
237.10237	14.1
237.13806	3.7
238.10974	9.5
239.08203	8.5
239.11804	21.1
240.12491	5.2
241.09698	1.9
241.13368	1.4
243.14957	0.8
247.12276	0.8
248.09366	1.3
249.10213	7.8
250.10959	6.5
251.08168	8.4
251.11816	20.7
251.14413	1.1
252.08900	1.6
252.12593	5.2
253.09735	10.0
253.13373	13.1
253.15987	0.8
254.10474	12.0
255.11351	1.5
262.10971	1.0
263.08765	1.0
263.11783	11.0
264.08914	2.4
264.12589	8.0
265.07538	0.5
265.09763	17.6
265.13354	22.9
266.10516	8.2
266.14066	2.6
267.11273	8.4
267.14905	3.1
268.12122	1.5
269.09378	0.9
269.12854	2.5
270.10208	0.8
271.10803	3.4
271.14282	0.9
273.12375	1.2
275.11786	1.0
277.09805	2.3
277.13092	1.1
278.10458	2.8
279.11298	15.7
280.12045	1.7
281.12881	13.4
282.10281	1.2
282.13635	2.8
283.10809	12.4
283.14404	6.4
284.11566	3.6
285.12335	28.7
286.13147	4.8
287.13947	1.7
291.11307	3.6
292.12091	1.5
293.12839	8.4
294.10516	0.8
294.13702	2.9
295.10797	3.1
295.14441	3.0
296.11487	4.6
297.12369	13.6
298.13269	5.2
299.13922	20.2
303.04858	0.7
307.10797	2.4
308.11765	1.0
309.12338	51.3
310.13007	4.2
311.10367	0.8
311.13892	23.8
313.11807	1.4
313.15387	1.0
315.13675	0.9
319.10724	2.7
320.11505	1.0
321.12390	4.7
323.10229	1.5
323.13898	1.0
324.10870	0.9
325.11813	9.0
325.15463	0.9
326.12616	2.2
327.13406	100.0
328.13788	2.9
337.11850	12.0
338.12567	7.5
339.13391	15.8
340.13718	0.7
341.14990	2.4
343.12936	2.0
343.16843	0.9
344.13937	1.5
353.15210	0.6
355.13074	1.3
356.13522	0.6
357.14536	9.5
358.15125	4.1
359.16028	14.1
360.16724	1.4
369.14444	19.4
370.15363	2.9
371.16061	27.7
372.16785	1.8
386.18710	1.9
387.16010	0.8
390.18109	0.7
402.17859	0.9
404.19754	3.4
414.18060	1.9
416.19751	15.5
418.17441	3.0
430.17645	6.5
432.19183	7.0
436.18530	0.8
442.17804	2.1
446.21194	1.1
448.18552	20.5
449.18918	1.6
450.20276	3.0
451.20923	2.0
460.18692	51.5
461.19006	1.8
462.20609	0.9
464.22009	2.3
474.20200	6.8
476.18167	0.9
476.35223	0.6
478.19943	1.5
480.21323	27.3
481.21478	0.8
490.19720	5.1
491.20432	7.5
492.21313	73.2
493.21536	2.9
505.21619	0.9
509.21466	3.3
522.22412	3.7
523.23126	54.0
524.23816	14.0
529.83063	0.6
567.25964	1.2
569.27466	0.7
577.25079	0.6
585.27063	1.1
595.25720	3.9
613.26569	14.9
627.28308	1.8
631.08228	0.6
645.28912	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	645.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01862	0.7
56.05017	1.1
62.10437	0.6
65.03938	0.7
67.05508	4.6
69.07043	1.6
70.06598	8.2
71.55015	0.6
72.08119	2.1
79.05486	3.2
80.04987	2.0
81.03382	0.9
81.05779	1.2
81.07034	1.0
82.06574	1.2
84.04499	2.8
84.08144	3.0
85.02882	1.3
86.09705	5.4
91.05479	3.4
93.05753	1.1
93.07044	6.9
94.06016	0.8
94.06570	11.4
95.04969	1.4
95.06831	0.6
95.07361	8.0
95.08598	1.3
96.08138	18.8
97.02851	0.8
97.06506	1.8
103.05450	1.2
106.06563	0.9
108.04478	3.1
108.07425	0.9
108.08122	14.3
109.02811	0.6
109.08916	0.5
110.07157	1.3
110.09688	32.0
116.07070	0.9
117.22948	0.5
118.06481	0.6
120.08110	22.9
120.53630	0.5
121.06449	0.9
122.05182	0.7
122.06039	14.0
122.09604	1.3
124.07561	2.4
127.03881	0.8
128.84393	0.6
129.10216	1.5
129.40257	0.5
132.04385	1.5
134.06018	2.3
136.06638	0.8
136.07594	10.6
138.05504	0.7
138.09143	37.4
144.04448	0.9
146.06003	1.4
148.07573	6.6
150.09158	4.2
152.07095	4.4
160.03938	7.8
162.05540	1.0
164.07086	3.2
166.08646	46.1
167.09021	0.7
168.10176	1.5
172.03993	3.2
172.07576	0.7
174.09126	1.0
178.04974	2.5
183.09016	0.6
187.08646	0.6
190.05031	2.2
197.07152	0.6
197.10721	2.0
198.11530	0.8
199.08572	2.8
204.06564	5.7
209.10828	1.8
209.78012	0.6
210.11548	0.8
211.08633	4.4
211.12271	5.0
212.09471	1.7
212.13246	0.6
213.10291	4.4
221.10741	1.2
222.09558	0.6
222.11565	1.8
223.08693	9.9
223.12299	2.3
224.09407	1.8
224.13005	1.6
225.10236	27.2
225.13834	2.2
226.10974	7.8
227.08124	0.7
227.11769	5.2
229.13362	0.9
235.08641	2.3
235.12308	1.9
236.09348	2.8
236.13031	1.2
237.06639	1.1
237.10237	14.1
237.13806	3.7
238.10974	9.5
239.08203	8.5
239.11804	21.1
240.12491	5.2
241.09698	1.9
241.13368	1.4
243.14957	0.8
247.12276	0.8
248.09366	1.3
249.10213	7.8
250.10959	6.5
251.08168	8.4
251.11816	20.7
251.14413	1.1
252.08900	1.6
252.12593	5.2
253.09735	10.0
253.13373	13.1
253.15987	0.8
254.10474	12.0
255.11351	1.5
262.10971	1.0
263.08765	1.0
263.11783	11.0
264.08914	2.4
264.12589	8.0
265.07538	0.5
265.09763	17.6
265.13354	22.9
266.10516	8.2
266.14066	2.6
267.11273	8.4
267.14905	3.1
268.12122	1.5
269.09378	0.9
269.12854	2.5
270.10208	0.8
271.10803	3.4
271.14282	0.9
273.12375	1.2
275.11786	1.0
277.09805	2.3
277.13092	1.1
278.10458	2.8
279.11298	15.7
280.12045	1.7
281.12881	13.4
282.10281	1.2
282.13635	2.8
283.10809	12.4
283.14404	6.4
284.11566	3.6
285.12335	28.7
286.13147	4.8
287.13947	1.7
291.11307	3.6
292.12091	1.5
293.12839	8.4
294.10516	0.8
294.13702	2.9
295.10797	3.1
295.14441	3.0
296.11487	4.6
297.12369	13.6
298.13269	5.2
299.13922	20.2
303.04858	0.7
307.10797	2.4
308.11765	1.0
309.12338	51.3
310.13007	4.2
311.10367	0.8
311.13892	23.8
313.11807	1.4
313.15387	1.0
315.13675	0.9
319.10724	2.7
320.11505	1.0
321.12390	4.7
323.10229	1.5
323.13898	1.0
324.10870	0.9
325.11813	9.0
325.15463	0.9
326.12616	2.2
327.13406	100.0
328.13788	2.9
337.11850	12.0
338.12567	7.5
339.13391	15.8
340.13718	0.7
341.14990	2.4
343.12936	2.0
343.16843	0.9
344.13937	1.5
353.15210	0.6
355.13074	1.3
356.13522	0.6
357.14536	9.5
358.15125	4.1
359.16028	14.1
360.16724	1.4
369.14444	19.4
370.15363	2.9
371.16061	27.7
372.16785	1.8
386.18710	1.9
387.16010	0.8
390.18109	0.7
402.17859	0.9
404.19754	3.4
414.18060	1.9
416.19751	15.5
418.17441	3.0
430.17645	6.5
432.19183	7.0
436.18530	0.8
442.17804	2.1
446.21194	1.1
448.18552	20.5
449.18918	1.6
450.20276	3.0
451.20923	2.0
460.18692	51.5
461.19006	1.8
462.20609	0.9
464.22009	2.3
474.20200	6.8
476.18167	0.9
476.35223	0.6
478.19943	1.5
480.21323	27.3
481.21478	0.8
490.19720	5.1
491.20432	7.5
492.21313	73.2
493.21536	2.9
505.21619	0.9
509.21466	3.3
522.22412	3.7
523.23126	54.0
524.23816	14.0
529.83063	0.6
567.25964	1.2
569.27466	0.7
577.25079	0.6
585.27063	1.1
595.25720	3.9
613.26569	14.9
627.28308	1.8
631.08228	0.6
645.28912	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	645.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.3
69.07083	4.4
70.06592	15.3
71.55787	5.6
72.08164	5.7
72.51943	3.6
73.01120	3.5
77.08137	3.7
81.71391	3.6
82.54590	3.5
84.08144	8.0
86.09701	7.6
91.05469	6.0
93.07036	8.1
94.06568	11.9
95.07346	10.2
96.08142	19.5
103.05461	3.5
106.06570	7.2
106.69087	3.4
108.08115	23.4
110.09680	26.8
113.04228	5.9
115.14451	4.3
120.04504	6.9
120.08118	31.6
120.96180	3.6
122.06021	14.8
124.07626	18.8
129.40840	3.8
134.05998	7.8
136.07581	48.8
138.09169	42.9
144.04495	8.8
144.94257	3.9
146.06030	7.6
148.07532	23.0
150.09131	7.5
152.07060	22.2
164.07039	10.5
166.08655	51.0
172.03954	25.6
190.04996	22.8
197.48926	4.1
198.11470	7.5
204.06569	47.7
210.11510	10.1
211.12312	12.3
212.09550	4.3
218.08223	5.5
221.23006	3.5
223.12259	11.8
225.10248	19.4
226.08786	3.6
226.11002	12.0
227.11697	9.5
235.12263	6.1
237.10204	16.7
237.13907	4.9
238.11011	13.1
239.11789	23.2
248.09567	4.5
249.10255	14.7
250.11015	7.8
251.11836	29.3
252.08917	4.9
252.12593	5.0
253.09738	7.3
253.13440	10.0
255.11353	7.7
256.11972	6.5
262.10892	6.6
263.11853	33.4
264.08694	4.5
264.12448	11.4
265.09793	16.1
265.13434	14.9
266.10406	12.3
267.11246	36.7
269.12833	11.4
271.10757	5.9
271.14352	10.8
273.12381	9.2
278.10480	6.4
279.11349	54.2
280.12177	7.6
281.12799	19.8
283.10693	10.2
284.11530	19.9
285.12323	64.7
287.13968	7.3
291.11270	24.1
292.11792	6.3
293.09735	5.1
293.12628	20.3
295.10831	5.2
296.11627	9.2
297.12332	81.9
298.13104	5.2
299.13852	14.3
309.12350	38.6
310.13101	8.3
311.10220	9.4
311.13641	4.8
313.11850	7.6
319.10764	20.2
321.12427	22.9
323.10263	19.0
323.13727	4.2
325.11829	38.5
327.13452	19.6
337.11874	84.7
338.12393	6.4
339.13309	6.9
357.14389	12.5
359.16083	7.0
390.18195	5.3
392.19620	7.5
402.18030	8.6
404.19827	4.6
416.19653	7.9
422.20834	4.6
430.17615	15.7
432.19229	14.8
442.17554	6.6
446.20636	6.0
448.18579	53.1
449.19565	49.5
450.20255	45.9
460.18756	37.4
474.20193	8.3
476.17993	17.7
477.18903	13.5
478.19641	17.2
480.21341	6.5
490.13123	7.3
490.19748	97.4
491.20309	16.6
492.21027	31.2
522.22467	26.0
523.22986	16.9
588.15491	4.3
595.25684	19.8
613.26563	100.0
643.99341	4.9
645.29114	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	645.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
56.05007	0.5
58.99570	0.5
61.02900	0.6
63.67543	0.6
67.69277	0.5
69.03404	1.4
70.06597	4.7
71.29546	0.6
72.08173	2.2
76.02210	1.1
81.03411	0.8
84.04058	0.6
84.04510	6.9
84.08150	2.9
85.02500	0.5
85.02908	5.2
86.09215	0.7
86.09711	8.8
96.08103	1.1
97.02883	1.3
99.02679	2.6
109.02863	0.7
112.03945	1.5
116.01622	0.7
116.05310	2.9
116.07030	1.2
120.08121	0.6
124.07548	1.2
127.03910	1.5
129.10194	1.7
129.93709	0.5
130.04930	0.7
134.85953	0.5
136.07588	0.7
142.08647	0.9
145.04953	1.2
153.05437	0.6
162.02174	0.7
164.93755	0.6
168.64203	0.5
170.08154	3.8
177.05463	0.9
179.04875	1.8
181.07463	0.6
181.60327	0.5
184.07664	0.6
186.56697	0.4
195.09152	2.0
196.09985	7.4
198.11452	0.5
202.05353	2.6
209.07242	0.7
210.07755	0.5
211.08728	2.2
211.12349	3.0
212.09067	1.0
212.10950	7.1
213.10280	1.7
219.08022	3.9
223.08748	0.8
223.12267	0.8
224.09438	5.4
226.11011	1.1
227.11815	0.5
239.11812	24.4
240.12389	0.5
241.09677	0.9
241.13359	5.1
245.18591	2.2
254.10568	1.4
256.08475	0.8
257.12866	1.0
259.14380	0.6
267.11307	75.4
268.11606	1.4
271.10846	1.2
272.11353	0.7
273.09271	1.0
285.12357	100.0
286.12927	2.2
299.13998	0.8
303.13412	76.5
304.13757	1.6
348.12323	3.2
349.12714	1.0
447.17694	1.1
465.18811	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	645.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61436	0.3
56.05038	0.4
56.69195	0.4
57.03419	0.6
59.04954	0.3
61.02919	0.7
69.03413	1.7
69.07072	0.4
70.06590	1.7
70.36960	0.8
70.37334	0.6
72.08130	1.1
81.03409	1.5
84.04499	0.9
84.08120	1.4
84.10660	0.3
85.02444	0.4
85.02911	6.3
86.09700	1.2
96.08067	0.4
97.02919	2.6
99.02648	0.8
99.12225	0.3
109.02862	0.5
116.99651	0.4
119.88100	0.3
120.08125	0.7
124.07574	0.8
127.03910	1.0
129.10210	0.6
136.07501	0.5
145.02768	0.4
145.04955	1.4
170.08185	1.0
177.05449	0.9
181.07529	0.5
182.08371	0.9
183.09120	0.6
184.11253	0.5
185.07068	0.5
195.09175	1.7
196.09956	6.8
202.05383	0.4
210.07843	0.7
211.08656	2.3
211.12260	3.0
212.09042	1.1
212.10930	8.8
213.10190	1.6
214.10896	0.5
221.10820	0.4
223.08722	0.8
223.12294	0.8
224.09401	5.3
226.11035	0.7
227.11862	0.5
229.13455	0.6
230.11765	0.5
238.11076	0.4
239.11800	22.2
240.12273	0.7
241.09712	0.8
241.13411	7.2
254.10442	1.3
256.08426	0.6
257.12906	1.6
259.14478	0.8
267.11288	72.9
268.11655	1.1
269.12772	0.7
271.10754	1.2
272.11469	1.1
273.12271	0.6
285.12341	100.0
286.12973	1.7
287.13873	1.6
299.13516	0.5
303.13388	68.4
304.13690	1.1
321.14462	0.4
403.18265	0.5
447.17441	1.0
465.18790	3.2
608.33905	0.8
609.33984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42801	1.2
55.01869	7.2
55.05500	2.5
55.25422	1.4
56.05030	5.1
57.02540	1.2
58.06602	10.6
58.99591	7.9
59.96729	1.4
61.01144	1.1
65.03929	2.4
67.05502	2.7
68.05029	2.9
69.03413	5.0
69.07057	2.5
70.02953	1.8
70.06255	1.5
70.06599	20.0
70.38425	1.1
71.54654	1.5
72.08155	9.7
73.01144	11.5
74.00653	1.6
74.02435	3.8
74.06070	1.8
76.01886	1.4
76.02237	14.9
76.03988	3.2
80.05017	1.4
81.03412	1.5
82.06567	2.0
83.04980	3.2
84.04509	100.0
84.08154	9.3
85.02907	7.0
85.04044	2.0
86.09710	13.1
86.99069	2.6
88.04008	1.7
91.05459	2.1
95.01326	2.7
96.08138	17.7
97.02914	2.1
99.02685	41.4
99.03326	2.2
101.04250	5.1
102.03762	1.3
102.05547	1.6
109.02867	1.6
110.07166	2.1
112.03972	24.2
114.03765	2.1
116.01696	10.8
116.05326	59.5
116.06178	2.8
116.07079	15.6
119.04926	1.5
120.08129	2.0
124.07602	19.5
125.05981	1.9
126.03719	1.9
126.09150	3.3
127.03974	1.9
129.06584	2.1
129.10211	5.2
130.05028	13.0
136.07568	2.9
136.75247	1.3
137.05956	1.7
138.09158	1.4
142.03233	8.5
142.08636	12.5
144.01123	5.2
144.04782	3.9
145.04939	1.5
149.07382	1.6
150.23077	1.3
151.07509	3.0
153.01897	1.6
160.00652	5.1
160.04227	1.4
162.02200	8.3
164.98602	1.6
170.02710	1.7
170.08138	78.6
174.51044	1.3
177.03334	8.7
179.04857	24.0
179.99657	1.7
182.06369	4.0
186.02147	1.2
193.86006	1.2
194.58121	1.2
202.05339	42.1
215.05309	1.2
217.06398	2.1
219.08003	74.7
227.08459	1.4
241.31306	1.2
245.05945	5.4
245.09558	5.2
247.66766	1.4
251.04686	1.3
257.94870	1.2
273.09055	15.0
283.02432	3.7
286.12177	1.5
291.06500	2.8
303.04782	2.1
317.06537	5.5
318.07022	5.7
319.03906	1.7
319.07147	5.0
320.04279	2.0
320.07462	4.9
330.11227	2.9
341.11182	2.0
348.12250	72.8
352.13528	3.6
380.09467	1.9
434.16266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
56.58769	0.9
59.02293	0.9
67.05508	4.3
69.07056	1.7
75.16693	0.9
79.05484	4.4
81.07086	4.1
81.34806	0.8
83.08659	1.2
91.05480	2.6
93.07054	3.5
95.04977	1.1
95.08617	1.9
105.07046	2.3
119.08601	1.1
120.08067	0.8
121.10176	1.8
131.08536	1.7
133.06418	0.9
133.10133	1.5
133.74380	0.9
137.67726	0.8
138.14244	0.9
179.14333	1.5
222.16899	0.8
225.13924	0.9
237.13922	1.0
247.12323	1.2
261.13998	1.8
271.29605	0.8
275.15381	1.6
277.21677	1.1
290.16504	1.2
291.19702	1.4
293.21149	1.4
303.92651	0.9
354.19656	1.2
365.17596	1.3
368.21411	1.1
377.17560	4.0
379.19250	2.8
390.18698	1.3
391.19165	4.3
392.20020	4.1
393.20709	3.9
395.18622	2.3
405.20828	3.1
406.21454	2.9
407.22598	5.7
409.20114	5.6
420.22992	1.4
421.24045	4.6
422.21124	1.1
423.21762	3.7
437.23077	1.2
451.21085	2.6
465.22830	9.6
466.23071	1.4
479.24625	4.6
480.25241	1.2
481.26105	1.1
493.26099	2.2
495.27246	3.1
497.25543	2.1
511.27332	13.1
512.27240	1.2
525.28363	3.1
537.25171	2.5
538.25317	1.5
539.26501	1.7
541.27960	1.7
545.38562	2.1
551.26166	1.2
552.26819	1.8
553.27856	1.2
567.29761	21.5
568.30078	2.7
569.27209	4.4
583.29004	6.4
584.29639	3.7
597.30078	0.9
599.32306	100.0
600.32239	3.9
611.28174	1.5
625.44342	1.5
643.31183	9.8
643.45490	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.4
69.47012	0.9
69.47424	1.3
81.07108	0.3
96.50891	0.3
98.21468	0.6
102.82190	0.3
105.07036	0.4
107.08558	0.3
258.24088	0.3
279.10379	0.3
308.59653	0.4
396.12219	1.1
397.12946	2.3
398.13867	1.0
399.14407	0.7
400.15399	0.3
409.13123	0.6
410.13818	2.7
411.14609	6.8
412.15317	4.5
413.16208	2.4
414.16943	0.5
422.13620	0.4
423.10068	0.7
423.15463	1.9
424.11301	1.7
424.16437	2.6
424.76071	0.3
425.10623	0.3
425.16281	13.7
426.16946	9.1
427.17740	2.5
428.18839	1.8
437.12000	0.9
437.16696	1.0
438.12344	3.6
438.18024	0.9
439.13623	16.8
440.13599	0.9
440.19196	5.6
441.19336	39.6
442.19666	2.8
444.18423	0.4
451.13983	0.9
452.14212	4.6
453.15283	17.5
454.15921	4.6
455.21350	0.6
456.13498	0.5
457.15109	0.9
463.14038	1.2
465.15747	1.0
466.11823	0.5
466.17410	0.7
467.17227	25.6
468.17917	17.6
469.18872	12.5
470.18863	1.3
471.16818	0.9
472.17075	0.4
478.16299	0.6
480.17426	0.6
481.14679	14.2
482.15347	4.5
483.16260	0.6
485.18393	1.1
486.18890	0.6
494.16754	0.4
495.15924	4.7
496.17084	23.8
497.17523	3.0
498.18744	1.0
499.19882	1.0
508.19092	0.6
509.18390	2.7
510.18646	0.6
512.20746	1.2
513.21497	0.7
514.22961	2.5
522.18341	0.6
523.19928	1.9
525.17694	0.7
527.23517	3.2
528.18787	0.4
537.20221	0.6
539.19305	0.5
540.19958	0.7
542.21619	0.7
551.19836	0.4
555.22461	33.3
556.23022	2.6
568.19464	1.1
583.21930	100.0
584.22229	7.6
585.21942	0.4
586.20502	0.5
587.25055	2.3
611.21332	2.2
614.23816	1.0
615.24518	13.4
616.24896	0.7
643.23883	76.4
644.24030	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	641.297
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.07411	0.6
65.74179	0.5
67.05505	1.1
69.07066	0.6
70.01299	2.5
79.05506	1.6
81.07053	0.8
88.71125	0.4
91.05498	1.0
93.07077	0.9
95.08629	0.5
105.07048	1.3
107.08626	0.7
109.94611	0.5
117.07054	0.8
119.08619	0.8
133.10139	0.6
145.10219	0.8
152.37375	0.5
192.43723	0.6
223.08945	0.5
223.12225	0.7
247.84183	0.6
248.13171	0.5
275.20316	0.5
325.15909	0.6
335.25378	0.5
339.09900	0.9
405.16486	0.5
405.21164	0.8
406.21637	0.6
417.17038	0.7
418.17719	0.8
419.18823	1.6
420.18884	0.7
430.21664	1.4
432.19418	0.8
433.20236	2.9
434.21078	1.9
435.22086	1.1
445.20093	0.8
446.17374	1.0
447.17392	0.9
447.22617	1.4
448.22940	0.7
449.23471	0.6
451.21689	0.5
461.19543	10.3
462.20313	4.1
463.21722	0.9
465.19244	1.5
467.24713	1.5
475.21564	1.2
476.22144	2.6
477.22623	3.0
479.20999	1.2
480.21680	0.7
493.22461	1.6
494.22699	2.6
495.23877	1.8
507.24112	0.8
520.24341	0.6
521.22308	1.6
533.21588	0.6
535.26819	1.5
547.26520	0.6
548.24561	2.5
549.25208	1.9
553.28204	1.8
563.26495	5.1
573.30133	0.7
581.27527	9.6
593.24133	0.6
608.25861	1.4
609.26367	1.4
623.28290	1.6
641.29730	100.0
642.30145	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	641.2968
Annotation	Crooksiine
Peak:m/z	Relative Intensity
67.05509	0.6
71.55474	0.7
79.05533	0.8
81.07044	0.7
87.91909	0.4
91.05497	0.6
95.04967	0.4
95.08659	0.4
105.07034	0.9
113.04252	0.4
122.72732	0.4
131.16243	0.4
145.60901	0.4
156.41383	0.4
159.11723	0.4
173.56754	0.4
182.11145	0.5
227.11783	0.4
228.12755	0.4
239.11662	0.5
250.57637	0.4
314.13226	0.7
342.16052	0.6
354.16113	0.5
356.17715	0.5
376.17346	0.5
377.17841	0.5
391.19324	1.0
404.16220	1.1
405.16843	0.8
406.21683	0.9
418.17715	0.8
419.18192	2.1
420.23331	0.6
432.19611	0.8
433.20288	3.1
434.21017	2.0
446.16803	0.7
447.17337	0.8
447.22595	1.2
448.22546	1.2
449.23706	0.7
460.18951	0.5
461.19577	10.6
462.20361	4.4
463.21219	0.7
465.19537	1.4
467.24225	2.4
474.20532	0.6
475.21329	1.8
476.21991	2.7
477.22977	3.6
479.20905	1.2
480.21411	0.7
489.23093	0.5
493.22366	1.2
494.23029	3.9
495.23907	1.3
506.22864	0.5
507.24036	1.0
521.21637	1.3
535.26733	1.3
539.22778	0.7
548.23999	2.5
549.24994	1.7
553.28442	1.5
554.24750	0.5
563.26593	5.2
564.26575	0.7
565.24689	0.9
576.23773	0.6
581.27527	10.2
593.23962	0.9
603.85706	0.5
607.29846	0.5
608.26263	1.7
609.26172	0.6
623.28363	1.5
624.27191	0.8
641.29718	100.0
642.29962	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	642.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.8
55.05505	4.6
57.03443	2.8
57.07085	12.2
67.05514	6.6
69.07071	4.6
71.08624	7.8
79.05495	4.9
81.07069	26.7
81.87410	1.2
83.08627	5.3
85.10200	6.9
91.05468	1.5
93.07063	3.6
95.08617	14.2
97.10183	1.9
105.07044	2.0
107.08606	3.8
109.06541	8.9
109.10168	5.6
111.04459	13.9
112.76832	1.2
119.08586	4.5
121.10141	2.9
123.08000	1.5
123.11722	2.5
125.05996	4.1
128.59651	1.2
131.08548	2.2
133.10152	4.5
135.08089	2.4
135.11674	3.4
137.05989	100.0
137.13257	1.9
143.08591	1.4
147.11690	5.2
149.09633	2.9
151.07558	2.8
151.11244	1.7
157.10208	2.6
161.09612	6.0
161.13281	3.1
163.11230	2.6
165.09184	3.3
175.11205	5.1
175.14828	1.2
177.12651	1.7
179.10696	1.6
180.60472	1.3
199.11404	1.3
203.17998	5.3
213.16385	3.0
226.03711	1.1
231.15125	1.2
231.17339	6.3
249.18573	5.1
277.14935	2.1
277.18005	38.9
295.19034	11.0
313.27356	24.3
351.21710	14.1
428.49008	1.3
445.73914	1.2
475.12302	1.3
589.44635	60.6
590.44897	2.0
607.45581	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90763	0.5
59.59117	0.5
59.59449	0.6
67.05498	1.3
67.70579	0.6
71.55231	0.8
75.87326	0.5
81.07079	1.3
84.06542	0.6
91.05451	0.7
93.07052	1.4
95.04995	0.8
95.08645	0.8
105.07058	1.7
113.04266	0.9
119.08622	1.0
133.10239	0.5
145.10207	0.9
225.10257	0.8
265.13269	0.7
269.12921	0.7
275.20132	1.0
287.07104	0.5
339.09769	1.0
376.16910	0.8
385.10181	1.0
391.19406	1.4
404.16171	1.4
406.22079	1.0
418.17944	1.0
419.18466	1.2
430.21201	1.3
433.20633	3.6
434.21158	1.8
435.22012	2.1
446.16995	0.7
447.17975	1.5
447.22803	0.9
461.19464	9.2
462.20303	3.5
463.21426	1.0
465.19168	1.0
467.24442	1.6
475.21191	1.3
476.22302	2.4
477.22803	2.8
479.20422	1.3
489.23273	0.7
493.22577	1.9
494.22989	3.6
495.23996	2.0
507.24017	1.8
520.24567	0.8
521.20892	0.8
533.21210	1.1
535.27063	0.7
548.24164	2.5
549.25232	1.6
563.26544	5.3
564.26233	0.9
566.24561	0.9
581.27600	10.4
608.26154	1.4
609.26245	1.3
623.28406	1.0
641.29700	100.0
642.30469	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	641.1716
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
53.03947	0.4
55.01860	0.6
55.10838	0.2
57.03424	0.7
61.02935	1.2
61.15353	0.2
62.59089	0.2
68.99789	0.3
69.03126	0.3
69.03436	2.9
70.06612	1.6
71.04980	0.4
71.54636	0.4
72.08140	0.2
72.31232	0.2
73.02916	0.5
81.03435	1.5
84.08130	0.5
85.02911	11.1
86.09704	1.1
87.04457	0.4
89.27631	0.3
91.03952	0.8
92.02618	1.1
93.03407	0.7
93.07061	0.3
97.02904	4.3
99.04448	0.5
109.02913	1.5
111.00797	0.3
114.56916	0.2
117.85249	0.2
120.08082	0.3
121.02883	0.9
127.03941	2.5
129.10277	0.4
130.05026	0.2
137.02332	0.3
139.03917	0.8
139.80629	0.2
145.02907	0.3
145.04984	3.2
151.03915	0.8
153.01843	6.3
163.06036	0.4
165.01849	0.7
171.59547	0.2
177.05472	0.7
201.05359	0.5
203.03323	0.4
210.10997	0.2
217.04980	0.8
218.05615	0.4
228.04150	1.1
229.04974	2.9
231.02899	0.5
232.03813	0.3
245.04468	1.0
246.05333	1.5
257.04523	1.9
260.03290	0.5
273.03897	1.4
274.04727	3.5
284.03201	0.5
285.03934	4.3
302.04227	11.5
303.05026	1.4
317.06567	100.0
318.06982	2.2
329.06625	0.3
359.07721	0.4
479.11804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1714
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03942	0.4
55.01868	0.4
57.03425	0.6
61.02930	1.0
65.03929	0.2
69.03430	2.5
69.78020	0.5
70.06581	0.5
71.04970	0.3
73.02911	0.4
81.03409	1.2
83.01324	0.1
84.08138	0.2
85.02908	6.7
86.09709	0.2
87.61271	0.1
91.03944	0.2
91.29026	0.1
92.02623	0.6
93.03402	0.8
97.02895	2.5
99.04443	0.4
109.02853	0.8
111.00764	0.2
112.01101	0.2
120.08037	0.2
120.55752	0.1
121.02879	0.7
122.03586	0.1
123.04472	0.2
126.03136	0.3
127.03914	1.3
136.07591	0.2
137.02330	0.3
137.05994	0.2
139.03896	0.9
145.04968	1.4
151.03902	1.2
153.01823	5.5
163.03973	0.2
165.01865	0.7
170.02237	0.1
177.05458	0.3
183.02876	0.2
201.05455	0.3
203.03481	0.3
217.05003	0.5
218.05728	0.5
219.02954	0.2
228.04164	0.9
229.04987	2.5
231.02937	0.3
245.04521	0.8
246.05289	1.4
256.03787	0.2
257.04434	2.1
258.05054	0.2
260.03345	0.2
261.07556	0.2
271.05942	0.3
273.03922	1.2
274.04749	3.4
284.03250	0.2
285.03934	4.2
286.04550	0.1
288.06241	0.2
302.04221	11.9
303.04977	2.2
317.06552	100.0
318.06921	1.2
329.06564	0.2
359.07544	0.3
479.11929	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	641.1716
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
53.03940	0.3
55.01866	0.6
57.03446	1.3
61.02937	1.7
65.03931	0.3
65.60526	0.2
68.99790	0.2
69.03439	4.5
69.29818	1.8
70.06604	1.0
71.04993	0.5
72.08152	0.3
73.02921	0.6
81.03414	2.2
83.01351	0.2
85.02910	20.1
86.09697	0.5
87.04465	0.3
91.03957	0.6
92.02621	1.3
93.03388	1.1
97.02901	5.2
98.21526	0.4
99.04447	0.9
109.02887	1.9
115.03963	0.3
119.31800	0.2
121.02883	1.4
122.00000	0.2
125.24255	0.2
126.03145	0.3
127.03079	0.3
127.03927	3.4
137.49548	0.2
139.03918	0.9
145.04970	4.2
151.02904	0.2
151.03860	1.0
153.01843	7.9
163.06046	0.8
165.01852	0.5
177.05498	0.6
201.05508	0.6
203.03439	0.5
217.05000	0.8
218.05734	0.4
228.04182	1.1
229.05006	3.1
245.04431	1.4
246.05287	1.7
257.04462	2.5
260.03232	0.4
261.07611	0.3
273.03937	1.9
274.04694	4.2
284.03180	0.5
285.03949	4.9
302.04224	12.1
303.04895	0.7
316.05560	0.2
317.06570	100.0
318.06906	1.4
359.07590	0.6
383.07156	0.2
509.09985	0.2
579.25836	0.2
597.14008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1354
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.03925	0.1
55.01865	0.1
57.03429	0.2
61.02916	0.3
65.03940	0.1
68.12491	0.1
68.99774	0.4
69.03440	0.6
71.04991	0.1
71.55539	0.1
72.08130	0.1
72.99979	0.1
73.02914	0.2
81.03440	0.4
85.02425	0.2
85.02914	2.2
87.04438	0.1
91.03970	0.2
93.03404	0.3
95.04960	0.1
97.02892	0.8
99.04457	0.1
109.02885	0.7
111.00820	0.9
119.63017	0.1
121.02880	1.0
123.04437	0.2
127.03927	0.7
135.04440	0.1
137.02348	3.6
145.04961	0.3
145.06480	0.2
149.02353	0.6
151.03967	0.1
153.01839	3.7
155.04886	0.1
157.77501	0.1
161.05994	0.2
163.03931	0.6
165.01845	2.0
166.02670	0.3
171.02914	0.1
173.05988	0.3
177.02115	0.1
177.05516	0.1
183.02895	0.7
183.04469	0.3
187.03891	0.2
191.03416	0.2
195.02917	0.3
196.82056	0.1
201.03734	0.1
201.05499	1.5
205.05031	0.3
211.04071	0.1
213.05482	0.1
215.03452	0.1
217.05063	0.1
219.03029	0.1
219.06534	0.3
222.32909	0.1
228.04271	0.2
229.04982	4.6
233.04535	0.1
239.03505	0.2
246.05327	0.1
247.06053	0.9
257.04474	3.2
261.04028	0.1
274.04779	0.9
275.05466	0.2
285.03970	1.8
286.04758	0.2
302.04263	0.6
303.05005	100.0
304.05331	1.6
317.06567	4.1
329.51743	0.1
345.06149	0.2
465.10345	4.6
466.10971	0.1
479.08191	11.5
480.08560	0.2
641.13367	1.9
649.41809	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	641.1353
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
50.52530	0.2
53.03949	0.3
55.01863	0.4
57.03430	0.5
61.02936	0.9
65.03953	0.2
65.04782	0.1
68.99813	0.4
69.03434	2.3
70.11354	0.3
71.04996	0.4
73.02920	0.5
76.38529	0.1
76.44217	0.1
79.67655	0.1
81.03426	1.4
85.02915	6.5
87.04466	0.3
91.03973	0.3
93.03398	0.2
95.04977	0.2
97.02904	2.6
99.04497	0.3
109.02902	1.1
109.49746	0.1
111.00788	0.8
111.80612	0.2
120.93954	0.2
121.02882	1.1
127.03946	1.4
135.04369	0.2
137.02354	3.0
137.03400	0.2
143.29704	0.1
145.04987	1.2
145.06511	0.2
149.02357	0.4
153.01848	3.5
161.06042	0.2
163.03949	0.6
165.01877	1.7
166.02649	0.2
173.06070	0.3
183.02927	0.9
183.04367	0.3
184.80565	0.2
187.04005	0.2
191.03424	0.2
195.02917	0.3
201.05501	1.3
205.04948	0.2
213.05533	0.2
219.06497	0.3
228.04294	0.2
229.04991	3.8
233.04413	0.1
247.05983	0.8
257.04425	2.9
265.35834	0.1
274.04755	0.5
275.05475	0.3
285.03925	1.5
302.04166	0.2
303.05020	100.0
304.05371	1.7
317.06561	1.6
379.66794	0.2
479.08215	16.5
480.08420	0.3
649.66974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04023	3.3
70.03923	10.1
70.04330	7.0
82.23829	3.3
97.97015	3.7
182.44852	3.4
204.29129	4.2
225.13968	4.5
396.85898	4.4
429.17163	5.2
431.18301	5.1
433.23907	5.1
444.18964	7.0
445.19675	4.1
459.21808	41.6
460.22540	8.2
519.23999	5.3
522.58899	3.8
541.38513	4.8
547.26965	19.1
551.85901	5.2
561.24884	5.8
579.25653	15.5
596.25891	6.9
606.19238	6.2
606.28430	100.0
607.25299	29.0
611.28497	21.2
621.26990	6.4
622.26654	4.3
638.61298	4.6
639.27771	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08090	0.2
52.92496	0.2
55.05520	2.1
57.07069	0.7
58.06604	6.5
67.05502	0.3
69.07066	0.5
70.06584	0.7
71.11391	0.6
72.08162	12.4
73.06557	1.5
77.80283	0.3
79.05475	0.3
81.07066	0.5
83.05009	1.5
84.08144	0.6
84.34528	0.2
85.08943	0.4
86.09711	19.8
87.10007	0.3
89.79340	0.2
91.05505	0.4
93.07063	0.5
95.04990	0.3
95.08611	0.5
96.08177	0.3
98.06064	0.6
98.09681	0.4
100.11262	100.0
101.06029	2.6
101.11598	0.6
105.07025	0.6
107.08594	0.7
119.08614	0.5
121.10122	0.3
128.10725	0.6
133.10155	0.7
138.12744	0.3
140.14355	3.6
143.08191	0.3
145.10155	0.6
146.11771	2.3
147.11769	0.3
154.12253	1.7
154.15961	0.7
157.10136	0.4
171.11758	0.5
172.13347	2.6
182.11827	0.5
182.15323	0.4
200.12796	0.5
200.16458	1.3
210.14810	0.3
211.14539	0.7
214.12491	0.2
214.14430	0.9
221.13251	0.3
228.15958	6.5
285.21732	5.1
285.24744	0.3
295.20468	0.3
299.23309	7.1
313.17929	0.3
313.21362	0.9
327.22778	13.6
340.79193	0.2
354.64114	0.2
367.25946	0.6
395.25293	1.2
412.32059	0.3
427.28024	0.3
440.31149	3.2
458.32260	5.2
484.33914	0.6
512.33606	0.7
526.35150	0.8
540.35797	0.4
581.36194	0.5
611.43799	30.4
612.44397	1.2
621.39813	0.6
639.42285	10.0
640.43097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05516	1.1
61.51562	0.8
67.05482	1.4
69.76427	2.5
69.76842	4.4
79.05511	2.4
81.07060	2.8
83.33753	0.9
84.85046	1.0
87.96638	1.0
91.05495	2.8
93.07030	1.7
95.04956	0.9
95.08625	2.1
105.07019	3.6
107.08621	2.4
109.10111	1.0
117.07011	1.2
117.31062	1.1
119.08566	1.9
121.10175	2.4
131.08589	1.8
133.10143	4.4
143.08548	1.3
145.10139	2.2
147.11748	1.6
157.10083	1.9
169.10031	1.1
171.11716	1.2
173.13235	1.1
179.58005	0.9
199.14819	1.1
201.55112	1.0
330.16071	1.0
386.10294	1.0
419.19122	1.3
421.20288	3.8
422.21002	1.6
435.18286	2.7
436.22858	1.2
437.23102	1.3
447.21933	1.1
448.18945	2.0
449.19763	7.6
450.20059	1.9
461.20081	1.4
463.22006	5.3
464.21866	4.9
465.22943	1.2
475.21368	1.6
477.18820	5.2
478.19846	2.1
491.20715	1.8
492.21570	1.8
493.22183	1.2
523.23755	1.8
535.23267	3.0
536.25299	1.4
551.26465	2.3
561.25098	2.9
564.23517	3.5
565.24524	1.3
579.25903	6.4
595.25385	2.7
607.24426	2.0
610.27863	1.8
621.27246	2.7
624.25623	3.5
630.76080	1.0
639.28088	100.0
640.28088	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	638.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.3
55.01869	10.3
55.05308	5.1
55.05518	54.2
57.03434	10.1
57.07068	25.5
59.33672	5.1
67.05512	47.6
69.07076	59.1
71.05014	6.2
71.08633	13.6
79.05495	43.8
81.06694	5.1
81.07061	50.5
83.04953	11.2
83.08635	45.5
85.10179	8.0
89.06040	18.0
91.05480	33.4
93.07056	49.7
95.04967	10.5
95.08634	29.9
97.06541	7.3
97.10180	35.2
105.07024	23.3
107.05000	6.9
107.08595	25.0
109.10149	8.9
111.11726	11.9
117.06982	13.0
119.08573	18.7
121.06496	6.7
121.10099	17.9
129.07002	6.5
129.34970	6.5
131.08575	14.8
133.10132	17.5
135.11717	13.5
145.10117	11.0
147.11696	7.2
149.13289	7.8
159.11713	10.3
177.11266	6.7
177.12749	8.0
195.13863	10.3
227.20232	5.8
237.22212	8.2
248.42764	5.5
269.17548	12.8
275.20139	30.4
300.13162	7.5
311.25803	65.7
349.23837	14.5
491.37329	23.7
495.40103	12.2
505.38785	100.0
585.45294	11.7
621.66785	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	639.1923
Annotation	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
55.05476	0.2
58.06571	0.6
60.08131	0.7
67.04216	0.4
69.03411	0.4
69.07023	0.2
70.06593	1.8
71.29525	0.2
71.54424	0.2
71.54881	0.2
72.08158	0.8
74.06029	0.2
75.84959	0.2
81.03363	0.2
84.04478	0.4
84.08143	1.1
85.02863	0.6
86.09701	1.4
91.05442	0.2
93.06976	0.2
94.87750	0.2
95.01304	0.4
103.16803	0.2
104.15231	0.2
109.02829	0.2
110.07143	0.2
111.02661	0.4
116.07050	0.3
120.08064	0.5
123.04391	0.3
125.01676	0.8
125.05968	0.2
126.02402	0.4
127.03264	1.2
128.03568	0.3
128.91803	0.2
129.10225	0.5
133.10097	0.2
136.07582	0.3
137.05991	0.2
139.07570	0.2
141.12762	0.2
153.01846	0.9
153.05428	0.2
163.03831	0.9
167.06444	0.8
168.06715	0.3
170.02054	0.3
175.14766	0.4
177.75035	0.2
178.02559	0.4
178.06265	3.3
179.03409	0.4
183.02785	0.3
185.09897	1.2
186.10429	0.6
204.04120	0.3
216.04147	1.0
217.05017	0.4
226.13683	0.9
227.03394	0.2
227.14049	0.6
231.06590	0.5
237.05054	0.3
238.05537	0.4
241.04980	0.8
243.06403	0.6
244.03728	0.5
255.02892	6.1
256.03589	0.2
258.05035	0.2
259.06052	1.6
269.04449	1.8
271.06042	0.3
272.03104	0.3
281.04419	0.4
283.02350	1.6
283.05923	0.6
283.11398	0.2
284.03308	0.4
284.06631	0.3
287.05505	6.2
297.03873	1.6
299.05438	1.0
300.02670	2.6
301.06873	0.3
311.05261	0.3
312.06314	1.4
313.07050	0.8
315.04987	40.6
316.05380	0.6
329.06586	0.8
330.07349	18.7
331.07587	0.4
345.09689	100.0
346.10074	1.5
507.15051	0.4
594.14209	0.2
595.14624	4.2
596.14124	0.4
639.13330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.0
53.08306	0.7
56.04955	0.8
57.03370	0.8
58.06506	14.3
58.06826	3.2
60.08068	21.0
60.08408	4.7
67.04145	10.7
67.04530	2.1
67.05419	0.7
68.04932	2.2
68.05268	1.4
69.03326	3.6
69.05704	2.4
69.06042	0.9
69.06981	1.7
69.07314	0.7
70.06488	7.6
70.06902	1.4
70.73022	1.1
70.73356	1.5
72.08043	2.9
79.05414	1.7
81.03326	1.3
83.06021	0.8
84.04401	1.9
84.08027	3.6
85.02788	6.9
86.00552	1.3
86.09586	5.0
88.03912	0.7
89.05444	0.7
91.05392	1.2
94.06452	0.7
95.01209	6.3
95.04883	2.0
95.06009	1.5
96.92934	0.7
97.01066	1.5
97.02818	1.1
97.06429	1.3
98.00583	1.5
99.01298	2.5
99.02545	1.2
100.02068	2.3
100.02667	0.8
102.05476	1.5
105.06943	1.4
107.04852	0.9
109.02776	1.7
109.10062	0.9
110.07075	0.9
111.02534	14.0
111.05466	0.9
112.03338	2.9
113.01575	2.4
113.04090	5.7
116.06976	0.8
119.08491	1.5
120.07982	2.0
125.01714	27.5
125.04121	1.0
125.06009	5.3
126.02499	19.0
127.03263	33.8
127.04586	1.2
129.10129	2.2
133.09970	2.0
136.07510	1.6
138.03607	1.1
140.25536	0.7
141.01094	1.5
141.10136	0.9
142.99722	2.3
143.02628	1.0
145.01314	1.8
145.04839	0.8
152.05199	1.2
153.05482	4.1
157.06580	1.2
157.99606	1.3
159.00310	2.4
167.06400	35.4
170.07304	1.6
175.14679	2.3
177.03223	1.1
178.06717	2.4
182.12772	0.9
185.09834	50.4
186.10617	24.8
203.06313	1.5
204.07063	2.1
205.07886	1.7
207.09485	1.4
215.05473	1.5
217.06848	2.6
223.03607	9.4
226.13742	41.7
237.02899	1.2
237.05144	15.7
241.06958	0.8
253.04483	2.9
255.06110	1.6
259.08112	1.8
266.16782	3.5
268.09167	3.2
282.10925	15.8
287.05386	3.4
294.47308	1.0
296.12543	8.7
297.07263	1.7
303.01086	1.8
314.13611	3.8
315.14447	0.9
318.21341	0.8
326.10062	1.1
379.08878	1.4
380.09109	0.8
498.49579	0.8
517.05737	1.2
535.07001	1.4
551.06635	1.2
562.12006	1.5
576.13116	2.6
594.14331	100.0
595.14410	2.4
606.10718	1.1
638.13330	42.8
639.13715	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17600	0.7
53.03946	1.1
57.03423	1.3
57.07080	19.2
59.04985	1.1
67.05506	21.4
69.07071	9.0
70.19748	1.6
70.20132	2.8
71.04984	3.0
71.08640	9.6
79.05476	5.3
81.07062	37.3
83.04951	1.2
83.08618	7.2
83.76787	0.9
85.06541	6.2
85.10181	5.2
91.05492	2.8
93.07037	2.1
95.08611	38.9
97.06522	1.2
97.10178	2.5
98.06025	0.9
98.98450	1.0
99.08084	1.1
100.86313	0.7
105.07015	2.1
109.10145	4.4
109.52140	0.7
119.08575	3.5
121.10153	1.6
123.11693	2.7
124.01614	1.0
137.13257	1.5
147.11755	4.3
165.12744	2.5
170.46024	0.9
183.13828	1.6
201.14883	1.2
208.16983	7.1
219.13307	0.8
226.17987	5.3
239.23743	2.5
257.17545	1.0
282.27887	1.7
306.14658	2.3
313.27298	2.7
324.15881	1.0
357.29147	0.8
362.17230	1.0
380.18494	5.1
495.40454	100.0
496.41187	4.0
618.41406	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	636.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21447	1.4
51.05033	1.7
53.03946	17.4
55.01878	7.7
55.05512	19.9
56.05027	2.3
57.03427	4.9
57.07069	5.4
61.01131	1.6
61.02912	6.5
62.48325	1.5
62.83784	1.3
65.03935	2.4
67.05511	13.7
68.99786	4.9
69.03429	21.7
69.07072	9.3
69.33079	1.5
69.73189	9.4
70.06598	18.0
71.05000	8.9
71.06906	1.5
72.08160	8.8
73.01121	5.4
73.02918	8.4
76.02229	2.1
76.04031	1.5
77.03964	1.4
79.05501	12.6
81.03424	46.2
81.07069	26.9
83.04993	15.0
83.08638	10.9
84.04518	17.5
84.08142	6.3
85.02910	55.3
85.03432	2.6
85.06544	5.8
86.09703	9.8
87.00832	30.7
87.04474	4.2
91.03930	1.8
91.05493	16.1
93.07053	13.2
95.04978	34.8
95.08619	9.0
96.08131	2.2
97.02282	2.7
97.02892	43.7
97.06523	8.3
97.10188	1.9
99.02683	5.2
99.04455	31.0
99.35466	1.5
103.03944	7.1
105.01879	22.2
105.07032	28.4
105.07697	3.0
107.08598	27.0
109.02888	91.0
109.06528	26.7
109.10155	41.4
110.07164	2.4
111.08099	4.8
112.03954	3.3
113.28043	1.5
115.03922	2.1
116.01684	2.5
116.05352	9.0
116.07072	4.3
117.01897	2.2
117.07014	2.8
119.08582	23.8
120.08058	4.1
121.10148	22.9
123.08065	7.5
123.11702	9.3
125.06075	1.7
125.09646	5.0
127.03925	100.0
129.01828	8.6
129.10249	6.2
130.05006	3.6
131.08600	12.5
133.10136	56.7
135.08023	10.4
135.11699	6.0
136.07584	3.3
139.03876	2.2
143.08560	5.0
144.09305	2.0
145.04976	28.0
145.10121	9.1
147.02893	5.4
147.04120	1.8
147.11697	10.3
148.78085	1.8
149.13255	17.1
151.11205	17.8
153.09093	9.4
158.10947	8.8
159.02892	15.8
159.09209	2.4
161.04439	2.2
163.06059	4.7
163.11230	2.2
163.14806	5.2
165.12749	4.9
167.14336	17.9
169.04962	2.8
170.08188	10.9
171.11433	1.7
173.13269	52.1
175.13301	2.7
175.14828	47.5
179.04872	4.2
187.05977	3.5
191.14333	34.9
193.15919	5.4
202.05359	6.4
209.15369	85.5
213.03946	19.0
213.12288	1.6
219.08029	10.8
227.16426	3.2
228.74625	1.5
231.04990	39.3
249.06056	8.7
253.07066	2.2
273.06079	5.7
273.08939	2.4
291.07010	12.4
324.63446	1.5
348.12265	11.7
357.08127	6.6
367.23062	1.7
375.09006	9.1
380.09485	3.2
393.10245	11.3
400.64700	1.6
594.14178	1.6
637.35498	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	636.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28650	0.8
55.01874	8.7
55.05503	2.4
56.05026	4.3
58.06601	10.1
58.99337	0.9
58.99596	8.9
61.01159	1.3
65.03929	2.4
67.05508	3.0
68.05034	2.5
69.03426	2.0
70.06598	13.6
71.06647	2.0
72.08145	2.6
73.01147	13.8
74.00664	1.6
74.02433	4.7
74.09746	1.0
74.10189	0.9
75.02679	1.2
76.02227	16.4
76.03996	1.6
80.05034	1.3
81.03403	1.2
81.05797	1.0
81.07027	1.6
82.06566	2.5
83.06113	1.1
84.04510	100.0
84.08145	6.4
85.02892	2.8
86.09708	8.0
86.99059	2.6
88.55994	1.1
94.06606	1.0
96.08136	21.4
99.02685	44.9
101.02302	1.2
101.04246	4.5
104.98297	4.2
107.08514	1.5
109.02870	1.0
110.07184	1.8
112.03973	24.0
114.03767	1.5
116.01686	10.9
116.05322	65.7
116.07082	15.3
117.05650	1.2
120.08125	1.6
124.07595	18.9
126.03765	2.1
126.09184	3.9
127.02077	2.0
127.03870	1.9
129.06592	3.2
129.10240	1.5
130.05000	12.0
131.08542	1.7
133.10118	2.6
135.08073	1.2
136.07549	1.9
138.97028	1.2
142.03220	8.3
142.08643	13.0
144.01135	4.1
144.04800	3.1
147.02965	1.8
160.00639	3.1
162.02199	10.0
170.02744	1.4
170.08133	81.9
171.08463	1.4
173.13240	1.7
177.03329	2.9
179.03456	1.0
179.04858	25.4
181.04373	1.3
182.06367	4.1
191.14345	3.2
197.01160	1.1
202.05348	49.4
213.29662	1.2
219.08000	80.0
220.08221	1.6
221.07550	2.9
227.04781	1.5
229.06421	1.4
245.05891	4.2
245.09433	5.2
273.05780	1.6
273.09048	14.1
291.06384	3.0
330.11075	4.0
331.09418	1.6
348.12256	88.4
349.12509	2.9
350.11960	3.5
357.49670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28650	0.8
55.01874	8.7
55.05503	2.4
56.05026	4.3
58.06601	10.1
58.99337	0.9
58.99596	8.9
61.01159	1.3
65.03929	2.4
67.05508	3.0
68.05034	2.5
69.03426	2.0
70.06598	13.6
71.06647	2.0
72.08145	2.6
73.01147	13.8
74.00664	1.6
74.02433	4.7
74.09746	1.0
74.10189	0.9
75.02679	1.2
76.02227	16.4
76.03996	1.6
80.05034	1.3
81.03403	1.2
81.05797	1.0
81.07027	1.6
82.06566	2.5
83.06113	1.1
84.04510	100.0
84.08145	6.4
85.02892	2.8
86.09708	8.0
86.99059	2.6
88.55994	1.1
94.06606	1.0
96.08136	21.4
99.02685	44.9
101.02302	1.2
101.04246	4.5
104.98297	4.2
107.08514	1.5
109.02870	1.0
110.07184	1.8
112.03973	24.0
114.03767	1.5
116.01686	10.9
116.05322	65.7
116.07082	15.3
117.05650	1.2
120.08125	1.6
124.07595	18.9
126.03765	2.1
126.09184	3.9
127.02077	2.0
127.03870	1.9
129.06592	3.2
129.10240	1.5
130.05000	12.0
131.08542	1.7
133.10118	2.6
135.08073	1.2
136.07549	1.9
138.97028	1.2
142.03220	8.3
142.08643	13.0
144.01135	4.1
144.04800	3.1
147.02965	1.8
160.00639	3.1
162.02199	10.0
170.02744	1.4
170.08133	81.9
171.08463	1.4
173.13240	1.7
177.03329	2.9
179.03456	1.0
179.04858	25.4
181.04373	1.3
182.06367	4.1
191.14345	3.2
197.01160	1.1
202.05348	49.4
213.29662	1.2
219.08000	80.0
220.08221	1.6
221.07550	2.9
227.04781	1.5
229.06421	1.4
245.05891	4.2
245.09433	5.2
273.05780	1.6
273.09048	14.1
291.06384	3.0
330.11075	4.0
331.09418	1.6
348.12256	88.4
349.12509	2.9
350.11960	3.5
357.49670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89787	1.3
53.03952	16.9
53.22536	1.0
55.01869	3.2
55.05501	2.9
55.46737	1.1
56.05008	1.4
57.03432	4.5
60.03747	1.2
60.62993	1.2
61.02918	4.7
67.05510	6.0
68.99789	4.7
69.03434	19.8
69.07063	5.0
70.06596	13.4
71.05008	9.8
71.54770	1.9
72.08169	6.3
73.02915	7.1
79.05492	3.7
81.03426	44.4
81.07063	6.9
83.04971	5.0
83.08610	1.6
84.04494	3.6
84.08150	6.8
85.02916	53.2
85.03436	2.6
86.09718	11.0
87.00835	26.9
87.32690	1.3
90.39153	1.3
91.05478	3.8
93.07052	7.7
95.04948	3.6
95.08613	6.4
97.02906	42.6
97.06536	9.1
99.04465	25.4
99.08141	2.0
103.03972	8.2
105.01884	21.3
105.07038	9.4
107.08604	6.8
109.02893	77.7
109.06524	4.6
109.10172	9.8
110.07154	2.0
111.04496	1.5
111.08093	3.5
116.07028	1.7
119.08585	9.7
120.08109	4.5
121.10159	32.1
123.08093	24.0
123.11743	1.8
125.09630	1.9
127.03928	100.0
129.01830	3.5
129.10239	3.5
131.08545	2.6
133.10123	5.1
135.08026	1.3
135.11679	5.0
136.07576	3.8
137.06003	1.4
137.09639	8.7
141.09142	1.7
145.04984	25.4
145.10143	3.3
147.02904	5.6
147.11696	6.7
149.09639	8.3
151.07555	4.9
152.21010	1.5
159.02913	12.8
161.13286	21.0
163.06018	4.3
163.11198	13.6
165.12772	3.0
166.97336	5.7
167.10710	1.3
168.96948	1.6
169.05008	2.2
169.12212	6.9
171.11578	2.0
179.14345	4.8
181.12227	12.8
184.98453	6.3
185.98421	1.5
187.06038	4.1
189.12717	11.8
207.13837	12.9
213.03975	17.5
219.07822	1.6
223.13336	1.4
225.14830	14.2
229.01447	1.4
229.96440	3.4
230.96515	2.8
231.05014	30.9
243.15948	44.2
249.06114	6.1
273.06079	5.2
291.07092	14.4
339.06915	1.4
357.08188	5.5
359.99088	2.9
360.99384	4.4
361.98621	2.4
375.09256	9.5
378.00262	2.4
379.00070	5.9
379.99777	1.7
393.10211	6.7
604.44257	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.7
55.05497	21.8
57.07064	16.7
65.03933	7.0
65.57288	4.1
66.26764	4.4
66.83186	4.5
67.05512	44.1
69.03430	11.8
69.07059	22.6
69.22204	8.3
69.22604	43.2
71.04988	5.6
74.86596	4.5
78.09905	6.2
79.05497	45.6
81.03429	8.3
81.07066	56.9
83.04971	19.4
83.08620	20.2
85.02929	4.7
85.06551	11.7
91.05492	55.6
93.07056	84.7
95.04979	56.0
95.08628	34.4
97.06560	22.9
99.04455	13.9
100.88136	4.4
105.07037	89.9
107.04943	5.6
107.08594	54.7
109.06519	27.7
109.10165	41.3
111.04417	6.2
111.08105	11.0
115.05434	6.4
117.07009	24.0
119.08600	91.2
121.06548	14.2
121.09308	8.1
121.10151	100.0
123.08100	36.0
123.11719	13.8
125.05992	16.1
125.09622	14.2
126.44982	5.4
128.06195	9.1
129.07008	17.5
131.08591	44.7
133.10139	52.3
135.08067	28.2
135.11671	29.4
137.09610	28.8
139.07541	10.3
139.11180	21.3
141.06982	7.8
142.07770	14.9
143.08615	45.1
144.09325	10.8
145.06471	6.1
145.10123	84.0
146.10576	5.2
147.08044	21.1
147.11690	18.8
149.09651	23.0
149.13216	5.6
151.07561	10.0
153.09117	5.9
155.08575	13.8
155.10646	8.1
156.09337	13.3
157.10146	54.0
158.10706	7.1
159.08057	5.9
159.11702	56.5
161.09592	13.4
161.13257	9.0
163.11182	49.6
165.09114	19.5
166.07774	7.0
167.07097	8.7
167.08531	10.3
167.10692	13.6
168.09357	7.4
169.10126	17.4
170.10843	6.2
171.11694	28.6
173.09647	9.1
173.13242	15.2
175.11191	11.3
175.14847	12.1
177.12694	9.8
181.10085	12.6
181.12244	13.2
182.10907	7.6
183.11658	23.4
184.12378	5.9
185.13271	10.2
187.11169	10.8
187.14841	13.8
189.12717	10.0
193.10162	8.2
195.11743	16.3
196.12544	4.9
197.13290	21.8
199.14746	11.2
200.11975	6.6
201.12871	5.8
201.16502	7.4
202.15926	10.0
203.14293	8.0
207.11714	10.1
207.13591	6.1
208.12505	5.0
208.14542	6.7
209.13188	14.2
211.14771	7.2
213.12753	4.9
213.16277	5.8
219.17377	5.7
221.13402	7.4
221.15340	24.9
223.13300	17.2
223.15182	5.6
234.16074	8.2
235.14822	6.2
238.28920	5.1
241.14249	13.4
247.16977	6.6
253.16101	4.9
255.21031	4.9
257.88715	4.9
265.19400	5.8
285.22073	6.0
286.19202	13.2
299.19690	6.0
300.13541	18.4
313.21710	8.4
314.22180	5.9
314.97604	4.9
325.21567	7.9
352.23935	16.6
369.24344	17.3
392.27069	5.2
393.27969	25.1
394.28629	12.6
541.35120	6.8
554.36096	42.6
616.40692	8.7
634.41595	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	634.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.5
55.61700	1.2
56.05022	3.8
58.06608	10.3
58.99582	11.2
60.64713	1.3
61.01151	2.4
65.03944	2.7
67.05495	2.1
68.05038	2.3
69.48302	5.2
69.48726	4.3
70.06598	10.8
71.52752	1.2
73.01144	17.5
74.00673	2.1
74.02442	3.8
76.02226	17.6
76.04003	2.3
77.14413	1.2
82.06597	3.1
84.04507	100.0
84.08140	4.6
85.34028	1.2
86.09702	2.4
86.99039	2.7
88.02222	1.6
96.08133	20.7
99.02680	51.0
99.03330	2.5
101.04259	4.8
104.98321	3.5
112.03230	1.4
112.03979	26.9
113.04259	2.9
114.03740	1.7
116.01670	11.7
116.05320	61.6
116.07081	14.6
120.08099	2.0
124.07602	17.4
126.09167	4.3
129.06583	4.4
130.05003	12.9
136.95512	2.5
142.03233	8.9
142.08640	13.6
144.01147	4.9
144.04784	2.7
145.03334	1.4
160.00537	3.3
162.02211	12.2
170.08128	87.8
177.03261	2.3
179.04863	26.3
182.06407	3.7
188.03798	1.5
202.05336	50.7
219.07988	85.7
229.06483	2.7
245.05963	5.9
245.09532	5.5
251.05237	1.7
273.09073	15.9
291.06415	4.3
330.11185	4.8
334.05994	1.5
348.12253	94.1
349.12277	1.4
469.07736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.7
55.68434	1.3
56.05032	4.8
58.06603	11.0
58.99582	10.8
59.48556	1.1
61.01131	1.5
65.03939	2.6
67.05518	2.8
68.05028	2.7
69.03410	1.7
69.07089	1.3
69.81905	2.4
69.82326	5.8
70.06602	9.2
72.08141	1.4
73.01152	18.1
74.00660	2.4
74.02420	2.8
76.02236	15.7
76.04002	2.0
80.05026	1.6
81.07114	1.6
82.06609	2.9
84.04513	100.0
84.08150	4.0
86.09705	3.8
86.99040	3.0
89.04277	1.4
96.08140	21.0
99.02686	49.8
101.04234	6.2
104.98324	2.6
112.03981	23.8
113.04272	1.6
116.01700	12.8
116.05328	61.9
116.07085	15.8
124.07594	20.3
126.03732	1.8
126.09126	4.0
127.02090	1.6
129.06590	2.5
130.05016	11.3
136.95456	1.7
141.19955	1.2
142.03224	8.0
142.08646	11.1
144.01135	5.1
144.04805	3.8
147.53549	1.3
160.00650	3.8
162.02245	9.2
170.02664	1.8
170.08142	93.4
177.03404	1.6
179.04860	26.9
182.06419	2.3
183.05898	2.1
202.05353	52.3
219.07999	82.5
229.06477	5.6
245.05945	5.5
245.09506	7.1
251.05296	1.7
273.09091	18.7
287.77057	1.6
291.06363	3.2
302.11768	1.5
330.11273	4.2
348.12265	93.4
413.06689	1.4
469.07941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.9
55.05500	1.9
56.05038	4.2
57.98795	0.7
58.06605	9.0
58.99586	9.1
59.96721	0.6
61.01163	1.1
65.03931	1.7
66.78785	0.7
67.05497	3.1
68.05028	2.8
69.03422	0.9
69.07070	1.3
70.06598	9.0
72.08157	1.3
73.01144	14.2
74.00669	2.0
74.02437	4.2
76.02230	17.3
76.04005	2.0
80.05003	0.8
81.07103	0.7
82.06607	3.7
82.07049	0.8
83.06088	1.4
83.07348	0.9
84.04507	100.0
84.08137	3.6
85.02920	0.7
86.06064	0.7
86.09698	1.8
86.99063	2.5
88.02219	1.1
96.08133	22.1
98.20628	1.3
99.02681	42.5
100.02217	0.6
101.04248	4.8
102.05564	1.1
104.98312	1.9
112.03975	22.7
113.04259	1.7
114.03787	0.9
115.05817	1.4
116.01679	11.6
116.05324	58.2
116.07081	16.0
117.05638	0.9
124.07601	18.6
126.03757	2.0
126.09181	2.5
127.02184	1.8
129.06636	2.7
129.10265	1.0
130.05017	12.1
131.04572	0.8
136.95528	2.3
142.03229	7.0
142.08649	12.3
144.01138	4.8
144.04845	2.8
145.03175	1.3
145.06197	0.6
160.00668	3.0
160.04266	0.6
162.02216	10.0
170.02719	1.4
170.08128	77.0
172.04247	1.2
177.03351	3.1
179.04861	24.1
182.06403	2.9
183.05821	1.1
188.03757	0.7
202.05341	46.0
203.01425	0.6
203.05820	0.7
219.07993	73.1
220.08395	0.9
227.04977	0.7
227.08560	1.8
229.06474	2.1
245.05823	4.4
245.09570	5.2
247.07588	0.9
251.05208	0.9
255.08107	0.9
273.09055	14.1
286.12302	1.2
291.06537	2.6
330.11285	4.0
331.09708	0.7
348.12262	83.3
349.12576	1.8
411.74170	0.7
433.18973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	7.8
55.05499	2.5
56.05033	5.0
58.06606	10.5
58.99586	13.3
60.72074	1.3
65.03955	3.4
67.05495	3.0
68.05029	1.7
69.07066	2.1
70.03458	5.1
70.06595	7.6
73.01145	18.4
74.02436	4.4
76.02229	18.3
76.03999	2.0
82.06582	2.3
83.07370	1.6
84.04507	100.0
84.08137	3.2
86.09756	1.3
86.99070	1.5
96.08132	21.8
99.02058	2.6
99.02684	49.6
99.03326	2.7
101.04234	4.0
102.05532	1.5
104.98315	2.4
112.03973	26.4
113.04239	2.7
116.01688	14.2
116.05320	65.3
116.07088	15.0
124.07588	16.4
126.09175	4.7
129.06622	3.7
130.04990	11.0
136.07697	1.3
136.95447	1.7
142.03264	6.3
142.08647	13.5
144.01163	3.0
144.04776	2.6
147.03003	1.4
160.00558	2.6
162.02226	13.0
170.02763	1.9
170.08131	86.2
177.03279	3.8
179.04866	30.0
182.06306	3.0
190.48399	1.5
202.05341	53.6
217.85219	1.3
219.07985	85.0
220.08229	2.1
229.06435	2.8
245.05922	5.0
245.09537	5.9
255.08018	1.6
273.09024	14.3
286.12219	1.5
291.06390	3.8
307.08456	2.0
325.81473	1.3
330.11185	3.6
348.12262	95.8
349.12189	1.7
415.06171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89950	0.7
52.76767	0.8
55.01871	7.9
55.05495	2.2
56.05050	4.6
56.05272	1.3
58.06603	11.9
58.99590	8.3
61.01130	1.4
63.13542	0.9
65.03936	2.7
67.05507	4.5
68.05026	2.9
69.03417	1.4
69.07066	1.2
69.44872	6.6
70.06594	14.2
72.08155	1.1
73.01145	18.9
74.00652	2.1
74.02428	4.3
75.02708	1.4
76.01838	1.0
76.02237	17.5
76.03993	2.2
80.05032	0.8
81.07027	1.1
82.06571	3.7
83.06089	1.3
84.04507	100.0
84.08144	4.9
85.02901	1.9
85.43448	0.7
86.06053	1.5
86.09700	3.8
86.99056	2.7
88.02214	1.0
91.02174	0.9
96.08134	23.3
97.02860	1.0
99.02683	47.9
99.05607	1.1
101.04260	5.3
102.05526	1.2
104.33201	0.8
104.98295	3.5
109.02838	1.5
110.07153	1.6
112.03226	1.4
112.03972	24.3
113.04241	1.9
115.05765	1.3
116.01002	1.0
116.01696	12.8
116.05323	61.6
116.07077	14.5
120.08112	1.9
124.07592	17.7
126.03743	3.1
126.09173	3.8
127.02135	2.1
127.03907	1.2
129.06584	3.1
130.05006	13.2
136.02309	0.8
136.07610	1.1
136.95493	1.8
142.03238	8.4
142.08649	13.9
144.01215	3.8
144.04736	2.5
145.03151	1.7
145.06091	1.2
147.02936	1.5
160.00616	4.1
162.02209	11.3
170.08130	83.4
177.03278	3.7
179.04865	26.7
182.06381	2.6
183.05827	1.7
185.03700	0.8
202.05338	51.1
203.05699	1.2
219.07990	75.6
220.08315	1.0
227.08369	1.0
229.06438	2.6
245.05923	6.7
245.09528	5.4
251.05290	1.4
251.82907	0.8
255.07954	2.2
273.09055	14.2
291.06369	4.3
330.11273	5.4
331.09360	1.3
348.12259	88.6
349.12659	2.1
380.09262	1.2
426.86902	0.9
490.18994	0.7
659.14514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55160	1.7
55.01873	8.4
55.05500	2.7
55.34042	2.0
55.53574	2.1
56.05050	5.0
56.54992	2.0
58.06609	12.8
58.99583	14.4
60.04531	3.1
61.01130	8.0
61.02915	2.2
64.90938	1.8
65.03918	2.2
67.05505	5.7
68.05009	2.0
69.07072	9.5
70.06599	30.1
71.54658	2.0
72.08138	7.7
73.01138	12.4
74.00663	13.3
74.02435	2.4
75.01438	4.7
76.02229	23.7
76.04015	13.0
79.05487	4.1
82.06596	2.9
83.06102	7.6
83.07347	2.3
84.04511	60.8
84.08144	13.3
85.02888	7.6
85.04032	4.4
86.09718	21.8
87.77030	1.9
88.02191	2.4
88.04000	2.1
88.66626	1.8
89.09143	1.9
91.05460	5.0
93.07041	3.0
95.04953	2.2
96.08141	10.3
97.06538	6.8
99.02680	27.0
99.05566	8.3
100.02200	15.1
100.03986	3.8
101.04240	7.0
102.03752	3.1
104.98335	23.1
105.07000	2.3
107.99402	2.9
109.06486	2.6
110.07122	2.3
111.02672	6.5
112.04026	19.9
113.03600	2.6
113.04240	47.1
115.00889	3.2
116.01697	11.4
116.05322	57.5
116.07095	21.7
119.04955	1.9
120.08085	4.2
123.08005	2.2
124.07586	7.2
126.05518	2.9
127.02118	1.9
127.03957	3.3
127.05022	6.4
129.03664	12.0
129.06577	6.3
129.10201	6.2
130.03249	24.1
130.05037	31.5
131.04497	6.1
132.03511	4.1
136.07594	4.1
140.05699	2.2
142.03218	6.4
142.08630	4.6
142.99826	6.0
145.01978	2.4
145.06082	14.9
148.02490	6.3
153.06621	4.1
155.08160	5.1
158.02728	25.3
160.00667	2.9
161.01100	4.4
162.02240	9.7
168.05293	5.9
168.14194	2.4
170.02730	2.6
170.08128	29.0
171.07623	14.4
177.03311	17.4
179.04890	11.6
181.06075	3.0
182.06387	2.3
185.03647	2.9
186.06348	3.1
187.05324	2.2
188.03775	2.2
194.99641	4.7
199.07112	19.8
201.03400	3.1
202.03943	12.6
202.05612	26.8
205.06451	10.9
211.02188	3.2
219.07997	95.1
232.05151	30.6
233.05896	9.0
235.02852	10.1
237.02774	4.3
243.08565	7.6
245.05988	2.7
251.05196	20.3
251.07707	2.9
253.19476	5.9
263.84698	2.0
273.09027	6.5
274.10376	17.3
279.03708	2.6
285.01035	4.4
289.07227	7.9
305.06155	2.4
307.08340	100.0
325.03793	3.0
325.07141	5.4
348.12186	16.8
378.60458	2.0
379.08228	3.4
380.09396	3.5
400.05377	2.2
413.07001	30.9
414.07605	9.1
454.11179	6.2
467.08081	9.6
503.08289	23.7
542.10846	2.4
543.11859	3.6
551.35181	2.1
557.09155	5.8
563.90656	2.4
585.12775	3.8
632.12097	7.4
632.26868	4.1
632.77063	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	632.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60992	1.3
55.01869	9.7
55.05520	1.4
56.05032	3.9
57.03395	1.6
58.06603	13.0
58.99594	16.3
60.04527	2.5
61.01163	8.8
65.03948	2.1
67.05506	6.2
68.05022	2.2
69.03431	2.4
69.07089	8.8
69.82985	7.7
70.02972	2.4
70.06595	27.0
70.99577	1.6
72.04530	1.4
72.08159	5.5
73.01155	11.4
73.02946	1.5
74.00677	13.7
74.02457	3.1
75.01434	5.1
76.02228	26.1
76.02623	2.4
76.04008	12.8
78.14836	1.4
79.05489	5.9
81.07056	2.8
82.06593	1.4
83.06110	5.1
84.04509	60.6
84.08135	11.7
85.02903	4.2
85.04031	6.3
86.09717	13.6
88.02219	3.6
88.03993	1.6
91.05476	1.6
92.01726	3.0
93.07066	1.5
94.28861	1.6
95.04955	1.7
96.08146	6.6
97.06544	4.3
98.06033	1.5
98.21463	3.0
99.02682	28.8
99.05614	7.3
100.02203	16.2
100.03986	3.2
101.04246	11.1
102.03763	3.2
104.98328	20.9
107.99393	2.1
110.07133	2.2
110.95148	1.3
111.02666	4.8
112.03327	3.3
112.04050	16.0
113.00662	1.5
113.03487	4.2
113.04234	50.7
114.03780	2.4
115.00914	4.1
116.01692	10.8
116.05325	47.6
116.06198	2.8
116.07079	19.7
119.08603	1.7
120.08102	3.5
124.07585	6.2
126.05448	1.6
127.05048	6.6
129.03688	8.7
129.06602	7.9
129.10220	4.2
130.03267	19.1
130.05028	36.8
130.99899	1.9
131.04527	6.0
131.05386	3.4
132.03542	4.7
136.07581	2.5
142.03224	6.7
142.08633	4.8
142.99890	6.2
144.01144	3.5
145.01924	2.1
145.06079	14.3
147.02959	2.0
147.07664	2.0
148.02527	9.2
153.06604	5.1
155.08188	4.2
158.02737	27.7
159.11600	1.7
160.00662	5.0
161.01015	4.4
162.02232	10.2
168.05322	6.6
170.02802	2.0
170.08142	31.1
171.07632	17.3
173.09122	1.4
176.98605	1.8
177.03323	17.4
178.04031	2.5
179.04883	12.0
181.06157	3.9
182.06302	1.6
186.06358	4.0
187.05391	2.4
188.03876	2.6
194.99667	3.4
199.07156	16.5
202.04018	13.4
202.05663	21.8
205.06435	10.5
211.02173	1.9
219.01782	2.3
219.07997	89.9
231.04367	1.8
232.05124	29.5
233.05977	8.8
234.02435	1.6
235.02773	9.1
237.02814	3.1
238.97690	1.5
243.08485	5.3
245.05949	1.9
251.05196	19.7
256.09256	2.1
273.08926	3.7
274.10382	17.1
275.11014	2.3
285.01166	3.5
289.07266	8.1
305.06213	2.5
307.08350	100.0
308.09055	2.9
325.03882	3.4
325.07040	4.4
348.12256	25.9
359.79590	1.4
379.08206	3.1
380.09265	4.3
413.06973	24.5
414.07626	13.5
454.11276	7.4
467.07990	6.4
468.08664	4.4
503.08389	19.2
542.10736	2.5
543.11768	4.6
557.09283	2.8
585.13483	2.6
632.12598	9.3
632.26746	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	631.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01871	6.0
55.05518	10.8
55.46978	1.0
57.03456	1.2
57.07066	2.0
67.05512	25.0
67.80298	1.0
69.07072	9.1
71.04977	1.2
71.08616	1.3
71.56399	1.2
79.05498	13.0
79.41620	1.0
81.06578	2.4
81.07060	50.2
83.04978	1.9
83.08618	5.5
85.06520	1.2
91.05474	8.3
93.07044	11.5
95.04995	1.3
95.08613	23.8
97.06530	1.6
100.80807	1.1
105.07043	6.8
107.08592	8.3
109.06513	13.8
109.10183	7.5
111.04436	13.6
111.08126	1.0
111.11745	1.3
117.07038	1.3
119.08587	6.9
121.10155	6.2
123.08105	2.0
123.11735	4.1
125.06008	4.4
131.08571	2.6
133.10110	6.9
135.08044	2.0
135.11693	5.3
137.05980	100.0
137.09592	1.8
137.13264	2.2
143.08517	2.0
145.10188	2.6
147.11705	6.1
149.09619	3.3
149.13275	2.4
151.07571	2.2
159.11656	2.2
161.09665	6.4
161.13286	3.8
163.11203	3.7
163.14915	2.1
163.26152	1.2
165.09204	2.1
175.11188	6.6
179.10628	2.1
193.12267	2.0
203.17955	7.2
213.16386	3.2
221.19107	1.5
231.17445	8.9
241.15677	1.3
249.18555	10.8
277.17999	61.2
278.18381	1.5
279.23199	1.9
295.19064	18.5
308.69452	1.1
337.27365	23.1
351.21741	11.0
412.64685	1.4
613.44556	21.9
614.44800	1.3
631.46313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2246
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
53.00909	0.7
60.72148	0.7
69.24522	5.5
69.24924	1.2
75.35005	0.6
83.97312	0.6
84.30299	0.6
84.94469	0.6
113.04465	1.3
123.43366	0.6
126.82027	0.6
134.27661	0.7
163.14337	0.7
396.12427	1.7
397.13373	2.4
398.13934	0.8
399.14771	0.9
408.13235	0.8
409.13315	2.0
410.13947	3.7
411.14584	8.2
412.15353	5.4
413.16290	4.1
423.15042	1.7
424.10864	0.8
424.15665	2.5
425.16284	17.8
425.21869	1.1
426.16913	9.2
427.17801	4.0
428.18616	3.3
438.13394	4.1
438.18256	1.2
439.13577	20.7
440.13803	1.4
440.19208	8.4
441.19351	39.9
442.19611	3.3
452.14496	4.5
453.15457	24.8
454.15747	4.4
455.16986	0.9
456.18051	0.9
463.14035	1.2
465.15961	1.3
467.07507	1.1
467.17194	27.9
468.17923	25.2
469.18896	12.5
471.16992	1.6
472.17294	1.0
481.14709	11.5
482.16116	2.5
483.16666	1.3
484.21622	4.3
485.18759	3.1
495.16068	1.4
496.17212	12.5
497.18115	1.3
498.19177	2.3
499.20227	1.2
500.20923	4.0
509.18494	1.3
512.20599	3.0
513.21692	7.1
514.22235	1.0
523.19830	1.5
526.18323	1.0
528.20062	1.2
535.20441	0.9
541.20874	48.4
542.21716	3.4
569.20313	100.0
570.20477	5.3
573.23285	3.1
597.19629	31.8
598.20032	1.9
600.22076	1.2
601.22888	14.6
602.22736	1.1
615.20221	1.2
629.22144	69.8
630.22681	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	629.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
56.11332	0.5
69.99671	0.5
70.06599	0.7
71.54550	0.4
81.03419	0.9
83.10146	0.5
86.98229	0.5
90.84786	0.5
91.04955	0.9
91.05487	7.5
93.07051	11.8
95.04968	3.3
99.15749	0.6
103.05479	8.7
105.04520	0.9
107.04971	1.2
113.04223	1.0
117.10661	0.5
121.06515	100.0
122.06863	1.6
162.80824	0.5
186.91998	0.5
259.61472	0.5
293.07928	0.9
325.10812	1.1
350.52454	0.6
353.10309	2.4
556.72266	0.6
603.02643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.1
55.05520	2.8
56.05031	4.1
57.03435	4.2
58.06601	11.8
58.99593	11.6
61.02928	2.2
67.05519	4.4
68.05033	1.9
69.03439	23.2
69.06725	1.3
69.07076	16.3
69.43890	9.9
70.06593	10.7
72.08161	2.2
73.01147	57.6
73.06549	2.4
74.00668	8.0
76.02233	38.4
76.04000	3.2
79.05499	7.0
81.03407	2.4
81.07067	3.0
82.06582	2.0
83.07352	1.8
84.04513	38.5
84.08139	2.0
85.02909	32.9
86.09714	3.8
86.99043	2.7
87.04469	1.7
90.96732	2.4
91.03967	1.1
91.05472	2.8
93.07023	3.7
95.00759	2.5
95.01339	39.3
95.04971	7.6
95.08588	2.4
96.08113	5.9
97.02895	5.9
97.06522	10.1
99.02682	27.1
101.04236	2.0
104.98338	2.8
105.07073	6.0
106.99871	12.3
107.04966	1.6
107.99419	2.9
109.02877	1.6
109.06543	6.3
112.03979	13.6
113.02363	1.5
113.06027	2.1
114.03664	1.3
115.07553	5.5
116.01692	16.8
116.05330	56.8
116.07097	15.5
117.07026	3.2
119.08560	3.8
120.08064	1.3
120.08896	1.4
121.06519	3.8
123.04461	3.3
124.02241	1.4
124.07630	3.6
125.02361	1.4
125.06002	34.8
127.03941	4.9
130.05019	19.8
131.08588	3.1
133.10172	2.2
142.03235	7.5
142.08640	4.0
143.07066	3.5
143.08611	1.9
144.01132	6.0
145.04996	2.1
145.06061	1.6
145.10127	25.6
146.10480	3.7
147.11685	2.2
148.02487	4.3
151.03941	7.0
153.05466	31.6
157.10121	1.7
159.11685	1.4
160.00705	1.4
162.02216	26.6
164.98625	10.4
167.10698	4.4
169.10132	1.6
169.63049	1.3
170.02705	2.2
170.08151	22.9
171.11743	2.0
177.03242	6.0
179.03400	2.6
179.04877	34.2
182.01222	2.0
182.06262	1.6
184.34598	1.4
187.05650	2.0
197.04463	18.1
197.13312	1.5
202.05347	24.1
207.11641	1.4
211.02074	1.7
212.15485	2.5
215.03940	1.1
215.05524	49.0
219.08003	100.0
233.05885	6.6
245.05930	4.5
245.09662	1.6
249.16315	6.5
250.16920	2.2
251.05246	9.3
255.08450	2.9
267.17480	10.0
268.17807	3.2
273.09055	5.0
285.04086	2.6
285.18497	7.2
286.18826	2.8
290.06931	1.9
291.06488	3.9
297.22134	1.4
303.19571	27.4
304.19922	5.6
308.09113	11.4
321.20645	1.6
330.11050	1.5
331.09753	1.4
333.24234	2.6
348.12268	16.1
375.08630	4.7
380.09491	2.7
393.09381	2.1
396.06058	13.4
414.08505	1.5
425.06818	2.5
429.29755	1.5
433.78632	1.3
447.31158	1.5
465.32150	26.2
466.32544	10.8
499.08771	22.0
553.09882	9.7
627.37628	3.0
628.12872	5.5
628.36865	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	628.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01871	4.1
55.05502	2.4
56.05024	2.7
57.03443	3.0
58.06601	9.0
58.99588	14.0
63.00724	1.1
63.95016	1.1
63.96499	1.2
65.03938	1.2
67.05499	5.3
69.03075	1.9
69.03439	26.2
69.07083	10.5
69.53023	8.2
69.64628	1.4
70.06602	10.3
70.07396	1.2
72.08166	2.1
73.01148	62.1
74.00665	7.1
74.02393	1.2
76.02235	44.0
76.03999	2.5
79.05497	5.3
79.62136	1.2
81.03442	2.2
81.07051	3.8
82.06595	2.1
84.04515	37.6
84.05024	1.8
84.08152	3.7
85.02424	2.0
85.02919	33.8
86.09711	5.5
86.12592	1.4
86.99072	3.9
87.04482	2.1
90.96793	1.5
93.07055	2.1
95.00763	2.7
95.01337	39.4
95.04987	5.9
95.08582	2.1
96.08131	4.8
97.02893	4.5
97.06537	8.0
99.02699	25.2
99.04449	1.4
101.04250	2.2
103.03954	1.7
104.98341	1.3
105.07067	3.0
106.99876	16.9
107.04935	2.8
107.08557	1.7
107.99397	1.8
109.06549	3.4
109.10195	1.1
110.88048	1.1
112.03979	11.1
113.02363	1.4
113.06003	3.3
115.07574	4.2
116.01690	15.9
116.05328	55.8
116.07099	16.0
119.08592	1.6
123.04429	3.9
124.07582	4.9
125.02342	2.4
125.06004	32.6
127.03921	5.0
129.06635	2.8
130.05017	16.2
131.04515	1.7
133.10149	1.7
141.05585	1.6
142.03252	7.7
142.08649	3.5
143.07033	4.3
143.08569	1.9
144.01166	8.1
144.04790	1.9
145.04889	1.5
145.05984	1.9
145.10159	2.7
147.11710	4.4
148.02499	1.9
151.03944	6.1
152.78165	1.3
153.05476	35.5
159.11650	2.2
161.13216	2.4
162.02220	30.7
164.98671	9.0
167.10663	2.3
170.02785	2.2
170.08138	25.2
172.04422	1.4
177.03308	3.4
179.03587	1.6
179.04866	38.3
182.06415	2.0
187.06030	2.0
197.04480	24.3
202.05351	23.6
211.02090	2.0
213.12260	1.5
214.07100	1.8
215.05540	50.7
219.08006	100.0
229.10051	1.2
233.05946	8.2
245.05948	5.0
245.09686	1.7
249.16475	2.8
251.05229	7.1
255.08533	5.0
267.17465	3.8
273.09106	5.6
284.10547	1.5
285.18469	4.5
286.18652	2.1
291.06589	2.0
303.19574	4.7
308.09134	14.1
311.05716	1.6
321.20648	11.1
322.20917	2.6
348.12320	20.9
375.08572	3.9
380.09305	2.4
393.09564	1.4
396.06244	9.2
425.06924	1.6
465.32114	14.7
466.32318	5.1
499.08801	22.9
525.09381	1.5
534.01361	1.6
553.09766	9.8
628.13104	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	628.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76577	1.2
53.03946	1.7
54.49908	1.1
55.01884	6.3
55.05504	1.8
56.05026	3.2
57.03437	7.0
58.06385	1.1
58.06605	11.5
58.99586	12.0
65.03940	1.7
65.89220	1.3
67.05506	3.4
68.05020	2.1
69.03432	41.7
69.07053	3.4
70.06594	16.5
70.33781	2.8
70.34177	2.6
72.08150	6.4
73.01143	44.8
74.00647	5.5
74.02436	1.2
76.02229	42.7
76.03991	3.3
79.05509	6.2
80.05007	1.5
81.07068	1.5
82.06576	2.2
83.04982	1.4
84.04507	48.1
84.08141	6.2
85.02908	39.3
86.09718	9.7
86.99045	3.4
88.02225	1.3
89.90052	1.1
95.01334	74.1
95.04967	6.7
96.08158	6.1
97.02891	3.6
97.06525	6.4
99.02678	26.5
101.04244	2.2
103.03931	1.7
104.98283	1.5
105.71518	1.3
106.99896	10.3
107.04964	3.4
107.99442	1.4
111.04427	1.3
112.03996	11.6
113.05959	1.6
114.03754	1.2
115.03936	2.1
116.01686	13.8
116.05318	51.8
116.07066	14.3
118.99892	1.1
120.08073	1.7
123.04412	3.1
124.02212	1.3
124.07613	6.8
125.02312	1.9
125.05997	63.6
126.03785	1.4
126.09163	2.1
127.02171	1.9
127.03912	1.9
129.06599	3.1
129.10242	2.7
130.04999	14.5
135.04362	1.4
141.05493	2.7
142.03287	7.1
142.08594	4.2
143.07016	2.6
144.01129	7.1
145.10121	2.7
151.03929	6.3
153.05470	65.7
155.08145	1.7
160.00633	3.5
162.00957	2.0
162.02205	21.8
164.98630	4.1
168.17131	1.2
169.04961	1.8
170.02692	2.1
170.08136	32.7
177.03262	3.9
179.03693	1.6
179.04854	42.3
182.06364	1.4
185.16542	1.2
187.05603	1.1
193.59251	1.2
197.04462	11.6
200.03729	1.6
202.03590	2.3
202.05357	27.5
211.02019	2.8
215.05507	84.2
216.08553	1.4
219.07994	100.0
227.09152	1.4
229.06483	1.8
233.06012	7.4
245.05884	4.3
245.09581	2.4
251.05130	7.4
255.08656	15.9
273.09113	7.3
285.03583	2.3
289.05194	1.3
291.06503	1.5
303.19543	2.6
308.09106	18.6
312.83414	1.3
331.09567	1.4
348.12277	30.7
375.08578	4.3
380.09329	5.3
396.05884	5.1
465.32065	3.0
499.08679	18.3
553.09521	5.3
628.13184	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	628.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.1
55.05519	1.2
56.05030	3.3
57.03432	3.9
58.06342	1.1
58.06608	11.2
58.99587	12.2
61.01171	1.1
65.03928	1.7
67.01862	1.1
67.05495	4.7
69.03432	42.7
69.07075	1.4
69.21587	11.5
70.06596	12.8
72.08142	2.6
73.01144	44.0
73.03117	1.0
74.00666	6.8
74.02424	2.0
76.02232	47.7
76.03999	2.6
79.05500	6.1
81.03394	1.4
81.07078	1.2
82.06590	3.3
83.01349	1.7
83.06084	1.9
84.04510	47.8
84.08141	4.2
85.02910	43.0
86.09702	3.8
86.99036	2.3
88.02184	1.7
90.96794	1.1
95.01334	80.8
95.04970	6.4
96.08133	6.6
97.02887	2.1
97.06539	8.4
99.02685	28.1
101.04236	2.5
102.05540	1.2
103.03938	1.8
104.98301	2.1
106.99879	10.4
107.04946	3.5
109.02866	1.5
109.06507	1.2
110.07187	1.7
111.04481	1.7
112.03963	13.8
113.02389	3.2
113.05996	2.4
115.03912	2.4
116.01691	13.8
116.05328	57.4
116.07082	15.0
120.08144	1.7
123.04440	3.7
124.07572	6.4
125.02333	1.1
125.05997	74.6
126.09164	1.9
127.02151	1.3
127.03882	3.0
129.06572	1.2
129.10254	1.7
130.05008	17.7
130.17952	1.1
130.99847	1.1
137.05989	1.6
141.05455	4.5
142.03250	7.8
142.08617	6.0
143.07094	2.1
144.01155	6.0
144.04778	2.6
148.02496	2.8
151.03906	7.5
153.05470	67.3
160.00650	1.9
162.02213	22.9
164.98631	4.8
169.05034	2.7
170.02747	2.7
170.08131	31.7
172.04294	1.3
177.03337	5.2
179.04863	45.6
187.05833	1.7
187.14380	1.2
197.04475	13.2
199.20398	1.0
202.05342	30.1
202.07230	1.5
211.02010	1.8
215.05513	100.0
216.08514	1.5
219.07993	92.4
227.08859	1.2
233.06013	8.8
245.05896	4.2
245.09618	1.9
251.05298	5.5
255.08661	16.7
273.09061	5.8
291.06445	2.3
300.05688	1.9
303.04877	2.6
305.06198	1.3
308.09091	16.9
311.05569	1.9
330.10992	2.0
339.04999	1.7
348.12247	32.3
375.08456	2.9
380.09390	2.5
393.09760	1.1
396.06027	12.7
499.08774	20.3
553.09778	5.9
628.03674	1.3
628.12976	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	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.01875	10.9
55.05273	1.6
55.05519	27.4
57.03444	15.1
57.07072	1.9
60.49403	1.5
65.03940	5.6
67.05511	65.4
69.03420	1.6
69.06731	1.7
69.07080	23.9
69.07440	1.2
70.86758	3.3
70.87099	2.4
71.04989	2.6
79.05499	54.2
80.77922	1.3
81.03411	4.4
81.07066	75.7
83.04980	5.4
83.08617	9.1
85.06541	3.5
91.05488	56.4
92.05793	2.2
93.07052	60.6
95.01355	1.7
95.04951	8.9
95.08614	46.3
97.06543	15.9
97.10198	2.0
99.04449	3.4
103.05504	3.8
105.07041	46.5
107.04961	11.4
107.08607	28.0
109.06548	8.6
109.10159	15.9
111.08081	4.2
115.05457	2.8
117.07034	17.3
119.08585	33.8
121.06531	1.9
121.10144	23.7
123.08097	2.8
123.11719	5.4
129.07008	4.8
131.08571	27.0
133.10138	29.3
133.98570	1.8
135.08081	4.7
135.11702	12.5
137.09622	4.6
143.08569	3.4
144.09567	1.5
145.10132	18.8
147.11713	13.1
149.09624	8.4
149.13280	5.6
151.11243	2.5
157.10139	4.7
159.11700	15.0
161.13243	5.7
163.11119	1.9
171.11720	1.9
173.13309	6.3
175.14850	3.3
177.12579	1.9
179.14284	5.8
185.13278	5.8
187.14830	1.8
191.18071	1.6
197.13173	2.1
201.16388	5.8
203.14359	4.3
219.17456	100.0
239.17943	3.0
243.20988	1.7
247.20651	1.8
257.19034	6.2
261.22150	2.4
275.20099	50.1
287.37994	1.5
293.21143	4.0
317.24805	1.8
335.25827	79.1
336.26413	1.8
349.23758	16.2
403.58130	1.6
565.30286	1.6
609.45215	52.9
610.45099	1.8
627.46069	5.3
627.66241	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	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01109	2.2
53.03942	6.6
55.01871	12.9
55.05517	34.1
57.03437	17.2
57.07070	7.7
65.03948	4.1
67.05173	5.4
67.05512	74.8
69.03410	2.6
69.06770	3.0
69.07077	33.1
71.05009	4.4
71.08638	78.2
71.48029	5.0
73.55860	2.4
79.05055	4.9
79.05501	65.1
81.03410	9.5
81.06577	4.8
81.07063	88.9
83.04980	8.0
83.08622	17.9
85.06554	4.1
91.05489	68.4
93.07054	76.5
93.07629	5.2
95.04972	15.1
95.08614	56.9
95.49057	2.6
97.06534	16.3
97.10177	5.9
99.08102	42.9
105.07034	73.2
107.04964	11.4
107.08604	47.1
109.06507	6.3
109.10170	25.8
115.05474	3.1
117.07034	26.6
119.08588	53.2
121.06535	6.0
121.10144	34.5
123.08105	7.1
123.11703	3.6
125.09636	4.6
128.06239	3.1
129.07018	22.1
130.07819	3.1
131.08582	41.3
133.06526	4.2
133.10132	40.6
135.11707	25.3
137.09602	4.5
139.11226	3.5
141.06946	5.8
141.09077	2.5
142.07820	4.1
143.08601	26.0
145.10139	36.4
147.08011	3.5
147.11694	26.6
149.09641	5.7
149.13271	11.8
151.11179	14.8
155.08556	13.1
157.10118	25.4
159.11710	32.9
161.13269	33.5
163.11197	4.6
163.14841	8.5
167.08635	4.0
169.10167	15.7
171.11728	24.5
173.11771	6.5
173.13306	18.4
175.14842	15.2
177.12762	3.7
179.14328	27.7
181.10138	8.3
183.11671	17.1
185.13309	19.8
187.14845	13.0
189.12787	2.6
195.11752	9.5
195.13979	2.3
197.13292	10.9
199.14867	17.5
201.16525	3.5
203.14288	3.2
209.13304	5.8
211.14876	5.0
213.16400	5.4
219.17426	14.9
221.15289	3.1
223.14844	6.1
225.16287	5.0
231.21135	4.6
237.16426	4.4
239.18098	4.1
241.19513	25.5
243.21176	3.4
251.17979	2.8
257.19037	8.2
259.20584	31.2
261.22150	5.1
267.21320	4.5
275.20209	18.1
277.21658	42.1
281.19113	2.7
293.21112	4.1
295.23032	3.1
313.21597	3.7
315.23227	9.3
317.24820	5.1
333.24194	26.3
335.25830	16.5
349.23828	9.5
351.25272	35.1
367.26544	3.4
408.92450	3.3
419.33337	8.5
435.32602	3.9
437.34171	27.6
455.35342	4.0
475.35693	4.1
493.36945	5.0
501.35959	4.7
511.37943	16.2
513.35748	4.4
517.40302	11.3
527.37476	3.4
529.38910	5.7
535.41455	11.4
553.42322	5.7
606.96564	2.7
609.45117	88.3
610.46161	3.9
622.56641	2.8
627.46216	100.0
628.46857	5.5
659.23700	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	627.3741
Annotation	14-epi-Ponasterone A 22-glucoside
Peak:m/z	Relative Intensity
53.03939	2.6
53.07649	0.9
55.01860	2.7
55.05496	4.1
57.03439	5.1
57.07057	0.9
58.06595	1.8
58.99575	1.6
61.02938	6.2
61.58283	1.0
67.05495	4.2
69.03432	18.3
69.07071	53.5
70.06599	8.3
70.90189	2.5
71.04991	2.8
72.08147	2.0
72.51630	1.1
73.01131	4.7
73.02917	1.5
73.06565	7.6
75.16628	1.0
76.02210	4.7
79.05482	6.3
81.03039	1.0
81.03431	9.6
81.07074	12.7
83.04984	1.3
83.06092	1.1
83.08637	1.5
84.04491	3.2
84.08150	2.9
85.02908	46.2
85.06512	1.8
86.09698	3.8
87.04450	3.0
91.03918	2.2
91.05479	8.0
93.07042	10.8
95.01318	4.6
95.04985	5.1
95.08606	9.7
97.02905	15.8
97.06539	12.8
99.02676	2.8
99.04439	2.8
99.33705	1.0
105.07035	15.0
106.99880	2.3
107.08600	9.3
109.02881	5.6
109.06528	22.0
109.10149	4.8
111.95515	1.0
112.03984	1.2
115.05470	1.4
115.07574	19.9
116.01678	1.3
116.05299	5.5
116.07097	1.8
116.07917	1.2
117.07005	3.3
119.08597	13.3
120.08102	1.9
121.06491	3.2
121.10143	8.1
123.04382	1.2
123.08105	1.4
124.07610	1.2
125.05969	4.7
127.03932	10.9
128.06215	1.9
129.06998	4.1
129.10249	1.7
130.05020	1.9
131.08586	9.0
133.10139	7.9
135.08020	1.7
135.11720	2.6
137.05957	5.8
141.06976	2.6
142.07767	1.2
143.08580	15.4
145.04951	6.4
145.06374	1.0
145.10129	19.3
147.08038	2.1
147.11694	22.7
149.13277	2.5
153.05486	3.3
153.09119	1.0
155.08575	6.4
157.10132	9.4
159.08057	1.5
159.11717	7.5
161.09637	2.2
161.13268	10.7
162.02156	3.0
165.09100	1.3
167.08521	2.3
167.10664	15.5
169.10101	6.5
170.08107	3.0
171.11705	6.1
173.09627	3.4
173.13312	4.9
175.11195	4.6
175.14876	1.8
177.12756	1.3
179.04874	3.0
179.08636	1.3
181.10127	4.3
183.11690	9.7
185.13255	4.5
187.14885	3.1
191.10632	1.4
193.10205	2.3
195.11664	2.6
197.04393	3.0
197.13332	6.5
199.11241	1.3
199.14828	12.6
201.16385	2.6
202.05321	2.0
207.11653	4.6
209.13287	3.0
211.11191	1.4
211.14830	3.9
213.16383	2.9
215.05525	4.9
215.14316	1.1
219.08015	8.7
220.12621	1.1
221.13210	1.8
223.14845	6.3
225.16347	5.5
234.14096	1.5
239.17947	11.5
241.15814	1.5
243.17506	6.1
249.16393	12.3
257.19009	3.3
267.17468	30.9
269.13959	1.1
269.22757	2.0
279.21042	2.7
285.18503	40.4
287.19955	1.7
297.22144	8.0
303.04895	4.7
303.19559	32.7
315.23193	6.3
315.26373	1.2
321.20618	69.4
348.12289	1.7
393.28058	2.5
411.28833	4.8
429.30127	6.3
447.30988	2.0
465.32153	100.0
466.32562	1.7
470.88678	1.1
499.08820	2.8
591.35236	2.7
627.37531	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	627.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39991	1.6
67.05486	1.9
67.23576	1.4
69.07043	1.6
71.55264	2.2
81.07055	2.8
91.05453	1.8
93.07072	1.8
95.08575	2.4
101.27060	1.7
107.22670	1.6
113.04214	3.1
116.18054	1.6
134.66431	1.5
136.07620	1.8
138.09152	1.8
174.09160	4.5
187.12302	4.9
188.10712	3.4
196.65872	1.7
211.08675	3.0
215.11893	3.0
222.09143	2.2
225.10304	3.0
239.11760	1.7
241.13397	2.9
243.11313	24.4
249.10283	2.8
251.11809	1.9
253.09782	3.3
259.64639	1.8
267.11285	6.4
269.12872	2.2
277.09735	2.2
282.94287	1.8
285.12189	2.3
295.10599	2.6
301.15170	2.4
309.12564	2.2
316.10690	2.4
318.15878	1.9
325.15417	13.4
327.13510	2.7
328.10867	2.7
329.59955	1.8
330.12332	3.2
342.12299	3.3
343.13269	4.2
344.14069	3.6
346.15512	3.6
348.13339	5.1
356.13983	4.6
358.15494	2.5
370.15680	2.0
372.17114	5.5
374.14865	2.6
403.16263	2.7
432.19391	4.2
435.13889	2.6
451.17557	2.3
460.18454	2.0
461.23264	2.0
463.21762	3.4
465.18893	12.7
477.19437	2.5
478.20056	2.5
479.20572	6.5
480.21317	4.5
481.22418	3.3
492.21252	2.4
493.22147	5.8
505.22598	2.2
507.23694	6.6
508.20108	3.1
522.23608	1.8
535.23511	8.4
549.24982	17.0
553.23737	2.1
567.26068	96.4
568.25720	2.8
595.25562	100.0
596.25934	3.6
627.28143	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	627.2816
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
67.05502	1.0
69.78409	0.7
70.36214	0.7
70.74801	1.0
70.75165	1.2
72.70322	0.7
79.05495	0.6
91.05473	1.5
105.07040	0.8
106.06587	0.9
113.04227	0.8
122.05968	0.6
130.06506	0.8
131.07332	1.4
133.10081	0.7
136.07558	2.0
138.09146	0.8
146.09598	1.4
164.59761	0.6
168.08157	0.7
172.07642	1.3
174.09178	5.1
187.08710	1.4
187.12314	4.9
188.10741	2.6
197.07153	0.9
197.10696	1.2
198.09239	1.1
199.12360	0.6
200.09479	0.7
207.09100	1.0
209.10857	0.7
211.08708	1.9
212.09528	1.7
213.10260	1.1
215.11754	3.1
222.09108	0.7
223.08653	1.4
224.09521	1.9
225.06631	0.8
225.10316	4.2
225.65494	0.7
226.11044	1.2
227.11847	3.8
229.43253	0.7
235.08655	1.1
237.10251	1.4
239.11861	2.9
240.12517	1.0
241.13326	3.9
243.11310	24.1
249.10345	2.2
251.11876	2.0
252.08925	1.0
253.09779	2.0
255.11203	0.8
263.11688	1.3
265.09769	1.8
267.11340	7.0
268.11749	0.7
269.12875	2.7
275.11807	1.0
277.09711	2.4
279.11398	0.7
285.12256	3.0
290.19650	0.7
291.11353	1.1
293.12799	1.3
295.10681	3.8
299.14163	1.0
301.12311	1.3
301.15533	3.3
302.12802	0.9
307.14081	0.7
309.12387	2.7
311.13922	1.4
314.13116	0.9
315.13785	1.1
316.10831	1.8
316.14285	1.5
318.12500	1.0
319.10684	1.7
321.14529	0.7
325.15598	8.3
326.12891	0.9
327.13422	6.1
328.10828	2.1
328.14444	1.9
329.11630	1.6
329.15366	0.8
330.12457	3.3
330.15915	1.5
331.13223	1.0
332.13507	0.9
334.15625	2.2
336.13483	0.9
340.10757	0.8
341.11417	0.9
342.12347	5.6
342.15881	1.0
343.13223	3.5
344.13922	4.1
344.17615	1.1
344.37003	0.8
345.14835	2.3
346.15463	2.5
347.12674	0.6
348.13495	4.1
348.17221	0.9
351.13297	1.0
354.12442	0.9
355.13211	1.9
356.13834	4.0
357.14902	1.0
358.15393	3.2
359.16412	1.4
360.17078	1.4
368.14032	1.1
370.11420	1.2
370.15567	3.5
371.16168	0.8
372.17264	3.7
374.15051	1.0
384.13004	0.9
384.17181	1.7
385.17932	1.0
386.14667	1.5
386.19037	1.5
390.14532	1.0
393.17612	0.9
398.14905	1.4
400.16583	3.0
403.16006	1.8
404.16205	0.8
405.16846	1.0
406.16153	0.9
407.14832	1.1
407.19659	0.9
408.16467	0.8
412.16852	0.9
416.15408	0.9
417.17413	1.0
418.17953	1.5
419.18652	1.5
420.16595	1.1
421.16776	1.4
422.17294	1.2
423.18118	1.2
431.18280	0.9
432.19775	3.5
435.14197	1.9
435.18930	1.0
437.19760	2.7
442.72269	0.7
444.19034	0.8
447.22568	3.3
448.15347	1.5
449.15555	1.1
449.20206	1.2
450.16446	1.5
451.17047	1.9
451.22110	1.1
460.18848	1.9
461.23456	2.0
462.23807	2.5
463.21237	2.5
464.18204	1.3
465.18823	12.6
466.19720	0.8
467.21426	0.8
476.19318	0.8
477.19296	1.6
478.20126	1.5
479.20432	6.0
480.21597	5.0
481.22409	3.1
489.22699	1.9
490.20273	1.3
491.20822	1.9
492.21512	2.9
493.22568	4.0
494.23346	1.1
504.21265	3.5
505.21707	1.1
506.23163	1.4
507.24405	3.8
508.21051	1.4
517.22430	1.4
520.20758	1.2
521.25171	1.1
535.23450	7.7
541.23895	2.4
549.24933	12.5
552.23370	1.1
553.24573	2.3
554.24792	1.0
563.22937	1.6
567.26031	68.8
568.26202	1.6
577.24329	3.4
595.25513	48.1
596.25531	1.2
609.27087	1.6
627.28040	100.0
628.28552	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	627.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.28495	0.2
55.01880	0.5
56.28244	0.2
57.03438	1.4
61.02928	2.1
68.96218	0.2
68.99805	0.5
69.03075	0.4
69.03437	7.0
69.07094	0.3
69.46070	1.5
70.06605	1.4
71.01355	0.4
71.04996	0.7
72.08180	0.4
73.02924	1.0
79.05508	0.3
81.03423	2.7
81.07048	0.4
83.01328	0.4
84.04505	0.3
84.08130	0.7
85.02914	17.1
86.03245	0.4
86.09716	2.0
87.04478	1.5
91.03947	0.9
93.03368	0.3
93.30347	0.2
97.02290	0.3
97.02902	5.5
98.97588	0.4
99.04463	1.4
101.02395	0.5
103.03909	0.4
109.02897	2.1
109.06448	0.5
110.07146	0.4
111.00823	0.9
115.03960	0.4
120.08092	0.6
121.02875	0.6
127.03938	3.6
129.10269	0.5
134.63100	0.3
135.04396	0.3
137.02354	3.0
145.04977	2.9
149.02380	0.3
153.01840	2.9
163.03941	0.3
165.01845	1.6
166.02638	0.3
173.05994	0.3
183.02884	0.5
183.04338	0.2
184.81419	0.2
187.04034	0.4
195.02878	0.2
201.05501	1.1
205.04979	0.4
229.04999	3.4
247.06026	0.8
252.76488	0.3
257.04471	2.2
274.04752	0.9
281.10376	0.4
285.04062	1.4
287.05518	0.4
301.03433	0.4
302.04248	0.9
303.05020	100.0
304.05368	2.2
327.05328	0.4
343.15952	0.6
343.66049	0.5
344.15924	0.2
345.06128	1.9
415.52130	0.2
424.18573	1.0
424.68842	2.1
465.10364	9.2
658.07227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93048	0.2
52.16904	0.2
53.03950	0.5
55.01868	0.5
57.03418	0.6
59.48429	0.2
61.02919	1.0
65.03936	0.2
68.99786	0.5
69.03432	2.2
69.67838	0.7
69.68240	0.4
71.04996	0.2
73.02899	0.4
81.03427	1.4
85.02909	6.8
87.04468	0.3
89.03613	0.2
91.03954	0.2
92.67861	0.2
93.03466	0.2
95.04988	0.2
97.02899	2.5
99.04443	0.4
109.02876	1.1
111.00814	0.8
121.02865	1.1
123.04354	0.2
127.03965	1.2
137.02342	3.0
137.03342	0.2
145.04987	1.2
149.02353	0.5
153.01834	3.0
161.05954	0.2
163.03952	0.4
165.01828	2.1
166.02754	0.3
173.06097	0.2
183.02916	0.7
183.04346	0.2
185.27301	0.2
187.03952	0.3
195.02908	0.3
201.05493	1.6
203.44278	0.2
220.36783	0.2
229.05002	3.2
247.05988	0.6
257.04456	2.4
274.04745	0.7
275.05557	0.3
285.03949	1.0
287.05554	2.2
288.05887	1.9
289.06161	1.7
303.05002	100.0
303.99701	0.2
304.05267	2.2
315.04962	0.3
345.06122	0.4
458.27487	0.2
465.10294	7.4
585.81885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
53.58586	0.2
55.01865	0.6
57.03432	0.7
61.02913	1.0
68.99785	0.7
69.03433	2.7
70.11033	1.1
73.02929	0.5
81.03416	1.3
85.02910	10.7
91.03963	0.3
97.02907	3.3
98.21461	0.3
99.04474	0.5
109.02884	1.4
111.00817	1.0
117.27521	0.3
120.57161	0.3
121.02869	0.8
127.03928	2.4
137.02359	3.3
145.04935	2.3
149.02367	0.5
153.01813	3.6
155.68810	0.3
163.03963	0.4
163.06067	0.4
165.01863	2.2
166.02583	0.4
173.06023	0.4
183.02885	0.9
183.04379	0.3
187.04080	0.3
199.18501	0.2
201.05476	2.0
219.06564	0.4
229.04991	4.4
247.06076	0.5
257.04501	2.7
274.04709	0.7
275.05429	0.3
285.04004	1.1
303.05005	100.0
304.05322	2.2
315.05200	0.7
345.06015	0.9
465.10272	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1559
Annotation	Quercetin 3-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03938	0.7
54.62042	0.2
55.01875	0.9
57.03440	1.4
61.02926	1.8
61.64736	0.2
65.03938	0.2
68.99794	0.6
69.03082	0.3
69.03436	4.6
69.54325	1.2
70.06586	0.4
71.04976	0.6
73.02909	0.6
81.03426	2.0
83.01328	0.2
84.08144	0.2
85.02909	19.8
87.04437	0.2
91.03946	0.7
93.03414	0.3
95.04929	0.2
97.02896	5.4
98.21477	0.3
99.04435	0.8
101.02377	0.2
109.02878	1.8
111.00769	0.9
113.80888	0.2
115.03928	0.4
121.02857	1.1
123.04436	0.2
127.03922	3.9
135.04373	0.3
137.02341	3.0
137.06041	0.2
138.88597	0.2
144.16325	0.2
145.04961	4.8
149.02348	0.5
153.01845	4.5
155.04913	0.2
157.06529	0.2
163.03918	0.8
163.05984	0.9
165.01840	2.2
169.23068	0.2
173.05968	0.5
182.97037	0.2
183.02901	1.0
183.04381	0.3
187.03909	0.2
201.05505	1.7
205.04953	0.3
219.02780	0.2
219.06540	0.3
228.04314	0.3
229.04985	4.5
229.07246	0.2
239.03476	0.2
247.06128	0.7
257.04480	2.2
274.04730	0.8
285.03992	1.2
303.05008	100.0
304.05273	2.0
345.05942	0.4
647.92645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57146	0.1
53.03920	0.3
55.01842	0.3
55.45322	0.1
57.03435	0.7
58.36618	0.1
58.56717	0.1
61.02924	0.9
68.99786	0.4
69.03433	2.1
70.06584	0.2
71.04974	0.2
71.55050	0.1
71.55454	0.1
73.02888	0.3
81.03427	1.0
84.08141	0.1
85.02908	5.9
87.04430	0.2
91.03934	0.3
95.01272	0.1
97.02300	0.1
97.02888	2.0
99.04428	0.4
105.03378	0.4
107.04935	0.3
109.02901	0.8
111.00821	0.6
121.02867	2.3
127.03932	1.2
129.06984	0.1
129.10286	0.1
133.02858	0.4
134.42993	0.1
135.04414	0.1
137.02339	0.7
145.04951	0.9
145.06474	0.2
147.04454	0.5
153.01833	3.2
157.06470	0.3
161.05902	0.2
165.01839	1.4
169.06387	0.1
171.04366	0.2
177.05403	0.2
183.02887	0.6
185.06018	0.3
189.05452	0.1
197.05946	0.2
203.07018	0.2
213.05499	1.4
231.06500	0.6
241.04936	0.7
258.05228	1.0
259.06152	0.5
265.40656	0.1
269.04431	0.2
287.05496	100.0
288.05847	1.5
299.05716	0.1
317.77213	0.1
329.06726	0.2
334.96252	0.1
342.13391	0.3
403.61575	0.1
411.85614	0.1
449.10721	0.4
463.08725	14.9
464.09030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56406	6.4
55.05507	15.1
66.89947	6.5
67.05506	40.6
69.03438	8.5
69.07051	14.6
70.84205	19.8
79.05491	25.8
79.65466	7.0
81.07063	47.7
91.05500	48.2
93.07036	32.8
93.16540	7.2
95.04973	13.3
95.08608	30.3
97.06522	8.6
105.07048	40.9
107.08609	22.4
113.04215	20.5
115.05376	6.8
117.07017	17.1
119.08582	33.6
128.23396	7.1
129.07007	19.6
131.08577	33.1
133.10120	15.0
143.08618	9.2
145.10146	25.8
150.36183	7.7
155.08595	12.0
157.10155	10.7
159.11737	9.2
169.10135	9.5
171.11781	7.4
176.45901	6.8
182.73360	8.1
183.11723	9.7
201.94211	7.7
203.05316	10.0
209.13329	7.6
249.63313	7.5
343.26230	9.8
353.24792	12.8
371.25748	14.5
389.26691	22.0
445.29550	100.0
463.26483	40.0
463.31131	22.0
625.31580	88.6
625.44366	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	625.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80539	0.4
55.00993	0.5
55.05517	1.2
57.03448	0.6
59.34040	0.5
67.05515	3.0
69.07077	1.3
71.55686	0.9
79.05502	2.5
80.10452	0.5
81.07076	1.6
85.02901	0.6
87.53733	0.5
91.05480	2.8
93.07066	1.3
95.08628	1.9
99.08118	0.5
105.07039	3.1
107.08627	1.4
117.07082	1.2
119.08630	1.3
121.10203	0.7
129.07092	1.4
131.08574	2.6
133.10170	1.0
141.07066	0.6
142.07707	0.6
143.08699	0.8
145.10184	1.2
150.82837	0.5
169.10284	0.7
183.11736	1.1
195.11647	0.5
197.13344	0.6
203.05299	3.8
287.05698	0.8
371.25885	1.2
389.27048	1.2
445.25070	24.1
463.26508	18.1
527.37701	0.6
593.24561	2.7
625.32129	100.0
626.32336	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	625.1405
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
53.03942	0.3
53.57159	0.1
55.01885	0.3
57.03437	0.7
59.04984	0.2
61.02930	0.7
68.99796	0.4
69.03436	2.3
69.51903	0.3
69.52313	0.7
71.05006	0.2
73.02915	0.3
81.03416	0.9
85.02910	5.6
87.04488	0.2
91.03954	0.3
97.02895	2.2
99.04431	0.2
105.03394	0.4
107.04955	0.2
109.02870	0.7
111.00794	0.6
116.87069	0.2
121.02877	2.4
127.03916	1.2
133.02835	0.5
137.02338	0.5
145.04974	0.8
145.06041	0.1
147.04404	0.6
153.01849	3.2
157.06488	0.5
160.07556	0.2
165.01836	1.7
183.02884	0.7
185.05966	0.5
203.07108	0.2
213.05519	1.2
231.06506	0.8
241.04865	0.9
258.05304	0.9
259.05957	0.3
269.04446	0.2
287.05515	100.0
288.05832	1.6
329.06567	0.2
332.46564	0.1
463.08755	13.1
464.08875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1403
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
50.14980	0.1
53.03920	0.3
55.01848	0.4
56.97252	0.1
57.03410	0.4
59.71969	0.1
61.02941	0.8
61.91797	0.1
65.03925	0.1
68.99786	0.4
69.03435	2.1
71.04974	0.2
71.12653	0.2
73.02890	0.4
79.05486	0.2
81.03429	1.0
83.01327	0.1
85.02911	5.6
87.04463	0.2
91.03929	0.2
97.02304	0.1
97.02898	2.0
99.04419	0.3
105.03345	0.3
107.04984	0.2
109.02899	0.7
111.00816	0.8
116.41916	0.1
121.01989	0.2
121.02877	2.7
127.03918	1.2
133.02885	0.5
137.02330	0.7
142.30177	0.1
145.04973	0.8
147.04375	0.4
153.01843	3.0
157.06409	0.3
161.05994	0.1
165.00523	0.1
165.01846	1.7
171.04430	0.2
177.03815	0.1
183.02875	0.8
185.05943	0.4
189.05394	0.2
199.03903	0.1
203.07054	0.2
213.05498	1.2
227.19957	0.1
229.04945	0.2
230.44206	0.1
231.06517	0.7
241.02766	0.1
241.04898	0.8
258.05295	0.9
259.06049	0.4
269.04306	0.1
287.05511	100.0
288.05807	1.7
299.05634	0.2
329.06442	0.2
353.06488	0.1
395.07220	0.1
413.08508	0.1
449.10773	0.6
463.08731	14.0
464.09152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01862	5.1
55.05516	17.0
57.03429	6.5
61.02929	19.2
67.05511	41.5
69.03425	6.5
69.07079	14.6
69.74226	8.5
69.74641	4.4
70.06580	3.7
71.04983	4.8
73.02923	5.8
79.05501	33.9
81.03416	5.7
81.07058	33.7
81.81792	2.5
83.04980	2.9
83.08638	9.9
85.02910	13.8
86.09690	2.7
88.37025	2.1
91.03973	10.8
91.05487	43.1
93.07053	23.7
95.04957	6.8
95.08612	22.8
97.02886	10.5
97.06538	5.7
97.10183	3.7
103.05489	4.1
105.04536	2.1
105.07037	30.2
107.04930	5.8
107.08595	11.3
107.93343	2.0
109.06516	7.0
109.10168	8.0
111.08101	4.7
113.04224	8.1
115.05453	5.5
117.07027	27.9
119.08598	16.2
121.06501	5.9
121.10155	8.1
123.08032	4.0
125.09632	2.5
127.03912	3.5
128.06248	8.4
129.07004	30.8
130.07785	2.0
131.04993	2.0
131.08582	32.6
133.06512	4.5
133.10149	12.4
135.08026	4.2
135.11707	3.7
136.61102	1.9
137.09650	2.1
139.11217	2.7
141.06989	13.1
142.07756	3.1
143.08578	25.1
145.06509	9.5
145.10124	20.7
147.08081	5.8
147.11688	5.9
149.09650	6.9
153.05338	1.9
154.93645	2.2
155.08568	18.9
157.06526	3.3
157.10153	15.1
159.08047	5.2
159.11700	6.2
161.13303	3.4
163.11256	2.9
165.12790	2.5
166.07768	2.7
167.08572	8.6
169.10138	16.3
171.07982	3.1
171.11678	10.3
173.09625	3.0
175.11198	4.6
177.12729	4.2
179.08557	5.1
181.10103	8.9
183.11668	12.1
185.13222	4.3
187.11238	2.7
193.10127	6.7
195.11635	7.7
197.13284	6.0
201.12863	3.2
207.11873	3.5
209.13335	6.6
211.14868	4.5
213.12799	3.4
215.14369	6.2
219.11734	2.1
219.13814	2.9
221.13303	8.7
223.14790	9.2
225.12784	3.5
225.16545	3.2
229.16011	2.6
231.13828	3.0
235.14827	5.3
239.18073	2.7
243.13779	3.3
245.15482	2.4
246.90121	2.5
253.15988	4.2
257.15384	4.3
259.16946	2.7
271.16977	7.8
323.23813	3.5
333.22058	14.1
341.24777	8.0
344.01431	2.1
351.19177	4.1
351.23233	46.6
369.24265	33.2
387.25497	17.0
425.26764	7.9
440.74945	2.2
443.27963	100.0
444.27997	2.7
456.90439	2.2
461.29022	65.0
468.52380	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.0
71.55228	0.7
71.55618	0.9
81.07102	0.8
85.10095	0.7
106.86543	0.7
119.08543	0.9
133.10068	0.7
196.69507	0.8
215.70313	0.6
246.40198	0.6
391.19196	1.0
401.17740	1.0
402.18503	1.0
403.19302	1.6
404.20383	0.9
405.20944	1.9
407.22433	1.0
415.19366	2.1
417.16434	1.4
417.21234	1.8
419.22739	3.2
420.23279	1.5
429.21164	1.0
430.17639	1.2
431.18729	2.9
433.20126	6.1
443.18710	2.0
444.19458	1.9
445.19760	4.1
446.21268	2.5
447.21585	3.1
448.22650	1.5
449.22833	0.8
458.20993	5.9
459.21732	3.8
460.22809	3.1
463.21570	2.4
475.21179	1.2
476.22043	1.7
477.22958	1.9
503.24649	1.2
517.22803	0.7
518.23114	3.9
521.22192	1.8
531.23816	0.8
533.25531	7.0
535.26801	2.1
545.25574	2.5
563.26361	7.1
573.24951	0.9
605.27490	10.6
623.28680	100.0
623.40582	7.5
624.29120	3.0
644.65814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	0.3
69.07078	0.4
70.00005	1.6
70.97317	0.3
81.07079	0.4
98.20885	0.5
106.06568	0.4
122.09693	0.4
132.08076	0.6
143.60025	0.3
169.08968	0.4
193.09064	0.5
195.09175	1.2
196.09973	1.2
197.10783	1.1
203.61293	0.4
207.09163	0.5
209.10751	3.5
210.11475	2.6
211.08733	1.1
211.12328	2.2
221.07436	0.5
221.10757	1.3
222.11478	1.0
223.08817	0.8
223.12302	4.9
223.14200	0.5
224.09534	1.3
224.13081	5.8
225.10287	1.5
225.13947	2.0
226.14534	0.6
233.10818	0.4
235.08733	0.5
235.12321	0.9
236.05734	0.5
236.09496	0.9
236.13074	0.4
237.10275	3.0
237.13866	3.9
238.10983	0.5
238.14734	1.0
239.11920	0.8
239.15456	2.4
247.12273	0.4
248.42043	0.4
249.10326	1.1
250.10980	1.2
251.08281	0.9
251.11853	1.1
252.12680	0.8
253.09723	0.6
253.13582	0.9
255.11224	0.5
261.13931	0.6
262.14493	0.4
265.10577	0.6
265.13361	3.6
266.14178	0.5
267.15033	0.5
269.12903	0.5
277.09772	1.1
279.11230	0.7
282.13528	0.4
283.10971	0.5
293.09058	0.5
296.11670	0.9
297.12540	0.6
299.15601	0.5
300.11401	0.4
300.15002	0.6
303.17490	0.4
305.09451	0.8
309.12625	0.5
311.13934	3.4
326.12689	0.5
328.14670	0.4
337.12064	1.0
338.12909	0.6
374.18729	0.5
376.20255	0.8
391.19580	0.5
392.20282	0.4
405.16583	0.5
405.20941	0.7
417.16989	1.1
417.21866	0.5
418.17984	1.5
419.18390	2.1
420.19495	0.7
421.24069	0.7
430.17938	0.5
431.19043	0.7
432.19623	0.6
433.20282	2.8
446.16904	0.6
447.17865	1.2
448.22919	0.8
449.23468	0.6
461.19937	1.4
462.20432	0.7
475.21231	1.6
476.21854	2.2
477.22876	3.2
489.22974	0.8
503.24268	0.8
505.22372	0.6
506.23383	0.5
516.21631	0.5
517.22565	0.7
520.25031	0.9
531.23694	0.6
533.22150	0.6
534.22522	0.6
535.26727	3.0
548.24158	2.8
549.24908	0.5
563.26532	26.9
564.26984	1.3
591.26031	7.7
595.29260	2.2
623.28662	100.0
624.29138	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58893	0.5
55.05496	0.7
64.28615	0.5
66.41898	0.6
71.73180	0.6
71.94485	0.6
81.07050	1.1
95.08635	0.6
115.29282	0.5
127.14109	0.6
204.18240	0.6
244.49910	0.6
376.17123	0.9
390.18869	1.3
391.19138	1.3
401.17746	0.8
402.19342	0.6
403.15485	1.0
404.16049	0.9
404.20911	0.8
405.20959	3.6
415.19321	0.7
417.21344	1.1
418.17798	0.8
419.18317	1.2
419.23172	0.7
420.23038	1.5
421.24133	1.1
429.20828	1.9
430.21808	0.9
433.19965	3.7
443.22412	1.1
444.23322	1.8
447.17786	7.0
448.22629	2.4
449.23691	2.8
452.22070	0.7
458.24762	0.8
459.21939	1.9
460.22894	1.1
461.19278	7.1
463.21078	1.3
472.23083	1.4
473.23526	1.4
475.21204	1.7
476.22055	21.1
477.22681	4.2
479.20581	1.0
485.23895	2.7
487.25153	1.9
503.24854	1.4
517.25964	1.0
519.23938	1.4
531.23877	2.5
545.25592	9.9
546.25647	0.7
563.26361	7.8
574.26379	0.6
605.27686	3.3
623.28656	100.0
624.29431	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	623.2864
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
56.64220	2.2
57.07074	2.3
61.61735	2.2
66.47847	2.0
67.05506	3.3
71.08625	2.3
73.02856	2.4
79.05501	3.4
81.07085	3.0
87.36938	2.3
89.06042	9.0
91.05505	3.3
93.07069	2.6
95.08659	2.6
105.07084	2.6
133.08641	6.7
149.50226	2.6
232.55255	2.3
247.84113	2.4
271.20605	3.0
391.19437	3.0
392.20142	2.8
403.19968	3.5
404.20343	2.6
405.20801	5.0
407.22485	8.1
414.18839	3.0
415.19150	4.6
417.21252	2.4
421.23782	10.9
428.19849	3.1
429.21091	6.6
430.21863	2.8
433.24631	2.9
443.22614	8.5
444.23621	5.4
457.24435	3.7
458.24854	7.8
459.22049	9.6
460.23068	3.3
461.20056	3.5
472.22607	7.9
475.21396	8.4
476.22476	6.5
477.22989	4.9
485.23532	15.8
486.19919	3.1
489.22958	3.9
499.21835	5.4
503.24521	8.7
517.25995	9.9
535.27185	4.9
545.25488	98.3
546.26166	3.4
563.25916	5.3
573.25177	15.3
605.17737	3.3
605.27637	91.4
623.28705	100.0
623.46576	7.7
624.29199	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	623.2868
Annotation	5-Cinnamoyltaxicin I triacetate
Peak:m/z	Relative Intensity
67.05499	1.0
67.30814	0.6
71.56317	0.8
79.05486	1.3
81.07060	1.4
91.05505	1.4
91.51054	0.7
93.07068	1.5
95.08646	0.6
96.91319	0.7
119.08602	0.9
121.10163	0.7
131.08566	1.0
145.10124	0.9
173.13136	0.7
247.08588	0.7
375.15942	1.2
389.17880	2.0
390.18442	1.7
391.19272	2.2
403.19275	2.3
404.20038	1.0
405.20871	6.5
406.21191	1.1
417.16614	5.0
418.17444	3.5
419.18646	3.2
431.18237	4.3
432.19305	5.5
433.20193	7.3
434.21271	1.2
445.20340	2.8
446.20822	1.3
449.23328	1.4
459.21768	1.3
461.19861	1.4
463.21463	1.4
475.21411	1.8
476.21939	4.9
477.23959	3.5
489.23169	1.1
491.24332	0.9
519.23944	16.5
521.24866	0.7
535.26758	0.9
548.24231	1.0
563.26605	14.2
564.26758	1.1
579.26050	4.6
581.27881	1.1
623.28693	100.0
624.28979	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	623.2866
Annotation	5-Cinnamoyltaxicin I triacetate
Peak:m/z	Relative Intensity
50.51916	0.5
55.05460	1.0
61.76020	0.6
62.84862	0.5
64.28922	0.6
67.05434	1.7
68.68143	0.6
69.07014	0.9
71.05755	0.7
71.06061	0.6
77.15630	0.5
79.05421	1.2
81.06978	2.4
91.05388	1.8
93.06973	1.4
95.08554	1.0
97.06430	0.5
97.66499	0.6
105.06984	1.4
106.06463	0.7
107.08558	1.2
109.06429	0.7
109.10070	0.9
113.94974	0.5
114.86795	0.5
119.08483	2.4
121.10082	0.7
131.08492	1.1
133.10063	1.5
135.11633	1.0
143.08357	0.6
145.10030	1.7
147.11563	1.0
159.11597	0.6
171.11652	0.6
182.08273	0.8
195.09149	1.6
196.09756	0.8
197.10649	1.3
201.75844	0.6
207.09128	1.0
209.10741	5.4
210.11531	2.9
211.08707	0.8
211.12320	3.0
212.12999	0.7
213.23364	0.6
219.17387	2.0
221.10716	1.0
222.11469	1.8
223.08679	1.2
223.12283	5.9
224.09352	1.3
224.13062	6.0
225.10228	2.6
225.13757	2.3
226.14427	0.6
235.08519	1.2
235.12143	0.7
236.09373	1.3
236.13106	0.6
237.10211	4.7
237.13925	4.8
238.10751	0.9
238.14583	1.5
239.15462	3.6
249.10138	1.6
250.10948	2.4
251.08154	1.2
251.11627	2.4
252.12489	1.2
253.13290	1.5
261.13913	1.0
265.09631	1.6
265.13379	3.6
266.14020	0.7
267.14746	1.4
275.19803	1.2
277.09659	1.6
279.11234	1.6
296.11484	1.1
297.12402	0.7
311.13940	6.7
312.14581	0.7
337.11691	1.2
352.14545	1.0
377.17551	0.9
390.18478	1.2
391.19272	1.1
392.20374	0.9
403.19397	1.1
404.20105	0.8
405.21130	1.2
417.16589	2.6
418.17892	1.5
419.18280	3.4
421.23993	1.2
431.18832	1.3
432.19437	1.3
433.20233	6.0
434.20871	0.9
446.21225	0.8
447.21854	1.7
448.22519	2.0
449.23395	1.5
460.18109	0.7
461.20020	2.4
462.20255	0.8
463.21310	0.8
473.19995	0.8
474.20480	0.9
475.21341	2.1
476.21793	3.5
477.22781	6.2
488.22226	0.7
489.22723	1.0
493.26318	0.6
503.24265	1.7
505.22458	1.4
516.20892	0.7
520.24695	1.8
521.25214	1.6
531.23816	1.6
533.21716	2.3
534.22424	0.9
535.27539	6.4
537.24060	0.9
546.24506	0.7
548.24048	7.3
563.26520	89.6
564.26752	3.2
591.25861	5.1
595.29248	4.9
623.28589	100.0
624.29309	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	623.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95156	0.8
68.55084	0.7
70.62164	2.6
85.71288	0.9
106.79601	0.9
120.08230	0.9
163.32536	0.8
175.42259	0.8
209.10759	1.2
221.10872	1.5
222.11493	1.1
223.12337	1.2
225.13930	1.3
226.10918	0.8
237.14012	1.3
370.15228	1.1
376.17108	0.8
377.17612	0.8
390.18250	1.1
391.19559	1.5
403.19278	1.7
404.16037	1.4
405.16721	1.3
405.21341	1.4
407.22287	1.2
418.17831	1.7
419.18655	2.7
420.18887	1.3
421.24243	1.2
432.19507	2.0
433.20361	2.9
434.21085	1.1
435.21915	2.9
445.20255	1.3
446.16779	1.3
447.17209	5.4
448.18842	4.4
449.19415	1.3
460.18069	1.1
461.19568	6.3
462.20142	5.8
463.21317	7.1
475.21155	4.5
476.21796	8.6
477.22946	8.0
478.23819	1.9
489.22739	1.7
490.23187	1.1
493.22235	1.2
507.20898	1.1
520.24579	1.1
521.24359	1.4
534.23199	1.1
535.23016	6.8
536.23999	3.3
545.25604	1.3
547.27454	1.7
548.24249	2.2
549.25208	4.1
550.25824	1.9
563.26508	13.5
564.26794	6.3
581.27515	1.1
591.26154	8.0
594.24481	4.5
595.28973	4.3
605.27661	2.3
608.26141	3.0
623.28589	100.0
624.29248	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
60.93679	0.6
67.05503	0.9
70.95358	1.6
78.68368	0.7
81.07103	0.7
83.45333	0.6
103.77590	0.6
104.29797	0.6
105.07012	0.8
119.08599	0.9
133.10091	0.7
185.88521	0.6
375.16876	0.6
387.16144	1.2
388.16873	1.1
389.17761	3.0
390.18372	1.6
401.17859	1.3
402.18604	1.9
403.19574	5.1
404.20059	1.8
405.20883	2.9
416.16068	1.2
417.17123	3.7
417.21118	2.4
418.17688	1.0
419.22488	6.6
420.23206	0.8
430.17624	0.8
431.18387	8.0
432.19446	2.2
433.20209	3.4
444.19415	1.0
445.20056	6.0
446.20981	7.0
447.21832	10.8
459.22729	3.0
461.19556	1.5
473.19470	1.4
474.20358	5.9
475.21289	7.1
487.21841	3.1
488.22003	1.8
491.20929	1.1
501.22922	1.5
505.25897	1.4
529.22522	1.0
533.25562	15.7
561.24994	22.7
562.25537	1.1
589.24335	0.7
593.27789	4.3
619.77380	0.6
621.27112	100.0
622.27606	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	621.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01849	1.9
55.05499	6.5
57.03425	1.7
57.07059	2.1
58.95103	1.9
61.02919	3.7
67.05505	12.4
69.03429	13.9
69.07076	11.4
69.07390	2.4
69.48403	13.0
70.06593	21.3
71.04977	4.2
72.08143	7.0
72.97646	1.6
73.02900	5.3
76.36452	1.6
77.89774	1.6
79.05507	2.5
80.67455	1.8
81.03426	10.2
81.07041	11.1
83.01371	1.5
83.04993	8.8
83.08613	4.9
84.04511	3.0
84.08150	4.9
85.02903	24.6
85.06546	2.4
86.09699	6.6
87.00847	13.2
91.05505	3.8
93.07049	5.9
95.08608	25.4
97.02903	12.3
99.04444	4.1
99.08076	2.0
105.01853	7.8
105.07011	6.4
107.08599	18.1
109.02870	13.2
109.06507	7.1
109.10160	77.3
110.07234	1.9
111.08166	2.4
119.07790	2.7
119.08589	35.9
119.09437	2.5
120.08123	5.5
121.10146	9.9
123.08050	9.7
123.11705	6.6
127.03913	18.9
129.10240	4.1
133.10143	20.7
135.11694	85.7
137.09636	13.8
139.11148	2.6
145.04959	7.3
149.13292	8.0
151.11186	7.0
151.14772	9.7
155.10670	2.1
159.02885	5.3
163.19698	1.8
165.16396	3.1
175.14833	36.5
175.16266	3.3
193.15889	69.0
193.17668	3.5
211.16934	100.0
212.20349	1.6
229.15450	2.9
231.04996	3.3
469.18588	1.6
610.84656	1.7
621.33185	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	621.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53369	0.5
63.66914	0.6
70.69209	1.7
72.68516	0.5
98.98411	0.7
191.69566	0.6
209.10617	0.7
258.74445	0.6
270.10178	0.7
373.14578	0.7
374.15067	1.0
375.16107	0.9
387.15927	1.6
388.16837	1.9
389.17590	3.8
390.18231	2.0
401.17484	1.9
402.18552	1.7
403.14603	0.8
403.19415	6.2
404.20114	3.8
405.20575	2.4
415.19543	0.9
416.16199	2.3
416.20752	1.3
417.16898	3.3
417.20908	3.9
418.16901	0.9
418.21689	1.6
419.22415	11.0
430.17908	2.2
431.18127	8.7
432.19037	2.8
433.20105	2.5
443.18665	1.2
445.20215	9.9
446.21109	6.3
447.21848	13.6
448.22491	0.8
458.20752	1.0
459.17624	2.2
459.22189	2.4
460.23145	1.0
461.19684	1.0
473.19073	1.8
474.20505	13.2
475.21378	16.5
487.21198	4.3
488.22226	2.0
501.22852	2.7
505.26163	1.2
518.23138	1.2
533.25537	12.4
546.22369	1.3
561.24988	85.4
562.25250	3.4
589.24255	2.7
593.27411	3.8
621.27100	100.0
622.27435	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	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
59.88321	0.3
70.69316	1.0
87.78395	0.4
93.35577	0.3
197.93262	0.3
203.91621	0.5
209.10899	0.5
235.12381	0.6
314.16757	0.5
355.40637	0.4
358.54376	0.4
373.14334	0.4
374.15338	0.5
375.16238	1.1
376.17505	0.4
387.16092	0.7
388.16843	1.1
389.17624	2.8
390.18872	0.9
391.19522	0.5
401.17813	0.9
402.14294	0.5
402.18600	1.1
403.19434	4.3
404.20081	2.6
405.20999	1.8
415.15060	0.7
416.16360	1.2
416.20996	0.5
417.17099	3.8
417.21133	2.3
418.17422	0.9
418.21844	1.1
419.22440	6.5
420.23166	0.6
429.16647	0.6
430.17520	0.7
430.22473	0.5
431.18185	6.3
432.19293	3.3
433.20007	2.6
443.18765	0.4
444.19785	0.4
445.20258	6.0
446.21097	6.3
447.21750	9.7
457.20062	0.4
458.21082	0.4
459.17166	0.6
459.21921	2.4
460.18698	0.4
461.19330	0.8
463.21478	0.4
473.19601	1.3
474.20474	6.1
475.21286	7.8
478.24203	0.4
486.20926	0.4
487.21445	3.0
488.21957	0.8
491.20700	1.1
501.22574	2.1
505.25845	1.6
518.23016	0.6
519.20239	0.7
529.22443	0.7
533.25580	12.9
534.25464	0.7
561.25000	21.3
562.25275	0.9
587.81219	0.4
589.24207	0.9
593.27478	3.5
621.27100	100.0
622.27454	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	619.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.3
55.03095	3.3
55.05503	4.8
56.05030	4.5
58.06593	4.3
67.05511	5.3
68.99776	4.5
69.03423	16.5
69.07090	3.6
70.06599	100.0
71.04995	7.4
71.06906	5.9
72.08148	19.7
74.06072	4.4
75.83672	3.3
81.03415	23.7
81.07065	8.5
84.04517	5.3
84.08144	14.4
85.02905	35.2
85.82808	3.4
86.06065	5.5
86.09711	51.9
87.00826	12.3
87.05688	3.3
87.10023	5.7
91.05495	6.3
95.08611	5.7
97.02888	27.2
97.06511	4.1
99.04461	18.2
103.03967	3.5
105.01876	12.1
105.07024	6.5
107.08589	14.2
109.02911	43.8
109.06512	7.4
110.07162	22.7
111.07491	4.2
113.09646	3.3
119.08550	5.0
120.08114	9.4
121.02858	5.2
121.03705	3.4
121.10160	12.9
121.86876	3.3
125.09625	4.7
127.03925	55.6
128.04393	3.6
129.10239	9.6
129.97066	3.8
131.08633	5.4
133.10152	22.0
135.11639	4.0
136.07518	3.5
137.09708	5.1
145.04967	15.8
145.10136	6.0
145.51640	3.5
147.11670	5.0
149.09615	15.4
149.13280	8.3
151.11218	11.5
154.02995	3.7
159.02908	11.1
159.09268	9.3
163.14780	7.1
169.13434	7.3
169.23962	3.8
173.13274	10.6
187.14589	4.6
191.14334	23.5
209.15363	43.3
212.10397	5.2
213.03979	8.6
231.04973	14.6
244.16591	6.7
249.06001	4.9
287.05377	12.1
291.07315	6.5
349.01160	4.4
375.09131	7.0
545.10938	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	620.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	6.4
58.06608	14.0
58.99583	10.6
64.87794	5.0
70.06596	37.5
71.55928	8.0
72.08174	10.4
73.01151	24.6
73.06156	4.8
74.00623	5.0
74.02433	4.8
76.02238	19.4
81.07070	6.2
84.04512	100.0
84.08150	14.6
86.09708	18.6
87.16653	5.3
93.07033	6.2
96.08148	18.1
97.06582	6.0
99.02683	36.0
101.04200	5.8
104.98310	28.4
109.02927	5.2
112.04008	24.1
113.04271	9.9
115.05822	21.0
116.01691	7.0
116.05336	57.8
116.07099	17.2
124.07628	16.2
130.05019	16.1
142.03242	9.7
142.08638	13.1
142.16635	5.7
147.02974	33.7
162.02274	11.2
170.08141	81.8
179.04912	22.2
179.96841	5.1
185.09773	7.4
202.05351	42.5
219.08015	76.4
221.04962	13.1
251.05287	9.9
273.09070	11.1
306.66699	4.9
325.06744	6.2
348.12250	60.2
443.45563	5.3
454.11288	10.3
539.91638	5.9
616.77576	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	620.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	3.7
58.06588	7.1
58.99577	13.8
61.01135	4.9
61.25588	3.2
67.05508	4.1
69.03418	4.8
70.06583	15.1
70.68985	5.2
70.69310	5.6
72.08170	4.3
73.01164	20.3
76.02235	22.4
79.05476	7.6
79.64312	3.1
81.07046	11.1
82.06550	4.7
84.04510	100.0
84.08147	12.0
85.02898	4.9
86.09696	6.4
95.01350	9.5
96.08160	19.3
97.02896	3.3
99.02689	36.9
101.04230	3.6
104.98332	26.6
112.03992	23.0
113.04225	6.3
115.05814	26.8
116.01681	13.6
116.05327	50.4
116.07082	14.2
117.45330	3.7
120.08162	4.5
124.07607	12.4
125.05910	5.4
126.09172	5.4
130.05003	17.4
142.03235	4.0
142.08636	14.9
144.01158	4.4
147.02965	29.5
153.05521	7.2
160.00638	4.9
162.02240	11.6
170.08141	79.0
177.03709	3.5
179.04866	27.6
194.99565	3.3
202.05353	41.1
211.02048	4.6
215.05540	10.1
219.08011	85.3
220.08534	4.2
221.04926	12.5
245.05913	4.6
251.05151	7.1
273.09064	11.8
291.06500	5.4
340.05899	4.6
348.12296	74.1
349.12650	5.0
380.09506	3.8
399.17841	3.8
422.13821	3.9
454.10992	9.2
553.07825	3.6
619.47070	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	619.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03739	1.6
53.03949	19.7
55.01859	5.7
55.05495	5.6
57.03421	4.9
61.02908	6.3
61.06932	1.3
65.22482	1.3
67.05485	6.5
68.99783	3.3
69.03431	23.5
69.07057	5.5
69.73454	8.5
70.06596	13.4
71.04993	8.6
72.08144	3.2
73.02900	6.3
75.96477	1.7
79.05481	4.7
81.03423	44.5
81.07061	12.6
83.04970	6.2
83.08587	2.7
84.04495	3.0
84.08147	3.7
85.02907	54.4
85.06525	3.2
86.09714	8.4
87.00834	25.7
91.03968	1.4
91.05463	5.8
93.07034	11.8
95.04957	5.4
95.08607	12.0
97.02284	2.7
97.02893	48.9
97.03513	2.6
97.06519	5.1
99.04459	27.9
99.08102	9.3
103.03945	8.8
105.01872	22.7
105.07050	10.2
107.04939	4.0
107.08597	26.4
109.02880	84.4
109.06509	8.2
109.10159	10.0
110.07197	1.8
111.08094	3.8
117.07009	1.5
119.08572	6.0
120.08119	3.2
121.06474	9.1
121.10144	19.8
123.08068	12.2
123.11714	2.5
125.05972	1.9
125.09625	4.1
127.03924	100.0
127.73569	1.3
129.01845	4.7
129.10231	3.4
131.08600	9.6
132.08076	2.4
133.10138	16.1
135.08046	8.6
135.11658	2.7
136.07481	1.9
137.09630	6.7
139.11166	2.7
145.04948	30.3
145.10022	4.3
147.02873	6.2
147.11655	4.8
149.09625	38.2
149.13254	14.3
151.11186	13.8
153.09093	4.5
158.10936	1.7
159.02881	13.5
159.09167	12.7
163.06004	7.0
163.11198	2.0
163.14835	15.8
165.12715	3.4
169.04987	1.8
173.13269	16.6
177.03993	1.9
187.06041	3.1
191.14308	44.0
209.15370	73.9
213.03946	18.1
227.16425	1.9
231.05009	32.9
249.06075	9.5
253.07141	2.0
273.06158	4.2
291.07129	13.4
339.07156	1.9
357.08124	7.1
359.17386	3.0
375.09406	6.9
393.10245	6.8
399.10809	1.4
561.56616	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03946	16.8
55.01868	4.2
55.05509	3.6
57.03438	3.5
59.05005	1.3
61.02931	3.4
67.05499	3.8
68.75745	1.2
68.99782	4.8
69.03430	21.3
69.07071	6.9
69.82159	5.0
69.82574	2.7
70.06594	18.4
71.04992	7.1
72.08162	3.5
73.02914	6.9
74.83679	1.6
79.05506	3.9
81.03426	44.3
81.07060	9.8
83.01359	1.5
83.04974	6.2
83.08632	2.2
84.04478	2.7
84.08167	3.2
85.02911	49.0
85.06552	4.4
86.06073	4.1
86.09717	13.2
87.00837	24.2
90.55545	1.4
91.03960	1.6
91.05463	6.6
93.07059	11.5
95.04989	3.5
95.08602	14.0
97.02900	42.1
97.06523	2.3
98.20674	1.7
99.04465	27.1
99.08086	6.4
101.43127	1.3
103.03968	9.5
105.01871	19.1
105.07036	6.1
107.04948	4.2
107.08604	28.2
109.02888	80.2
109.06529	6.0
109.10171	7.7
111.08093	4.1
117.07069	1.9
119.08572	4.5
120.08117	2.8
121.06541	9.0
121.10148	17.8
123.08056	10.9
127.03925	100.0
129.01823	7.2
129.10275	2.5
131.08566	6.5
133.10146	10.6
135.08073	9.1
135.11671	2.7
137.09636	3.9
139.03886	2.8
145.04973	22.3
145.10193	2.6
147.02901	5.6
147.11711	3.8
149.09636	33.9
149.13303	9.4
151.11197	12.9
153.09151	4.1
159.02908	13.4
163.06029	5.4
163.14845	16.2
169.04942	1.8
173.13289	13.8
187.06020	3.7
191.14311	37.5
203.10402	1.6
209.15382	57.5
213.03966	16.8
231.02716	2.1
231.05011	38.5
231.07249	2.8
249.06120	7.7
270.11328	1.3
273.06113	4.6
291.07120	12.7
315.34274	1.3
357.08228	4.4
375.09332	6.5
389.06537	1.5
393.10211	7.0
417.50125	1.5
452.82697	1.5
642.53033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01859	3.2
55.05512	41.8
57.07074	11.6
59.05000	2.5
65.03920	3.2
67.05507	31.2
69.03440	11.3
69.07067	19.5
71.04990	7.8
71.08639	3.1
71.55807	2.9
79.05491	31.8
80.06230	2.1
81.07059	55.0
83.04976	19.2
83.08620	54.6
85.06542	8.1
85.10190	4.4
87.04465	5.1
89.06020	11.6
90.06347	2.9
91.05487	50.0
93.07047	64.4
95.04972	28.0
95.08609	35.3
97.06537	22.5
99.04442	7.2
103.05453	3.4
105.07035	100.0
107.04958	6.8
107.08605	67.5
107.76575	1.8
109.06516	16.5
109.10162	30.4
111.08086	7.1
113.04192	2.2
113.05977	5.3
113.09634	8.1
115.05453	7.1
116.06268	3.7
117.07018	23.1
119.04951	2.5
119.08587	74.1
121.06490	12.6
121.10149	56.6
123.08073	14.9
123.11697	5.0
125.05919	2.0
125.09619	19.0
128.06215	16.9
129.07021	23.6
130.07780	9.7
131.08574	45.4
132.09332	8.2
133.06456	4.3
133.08583	4.6
133.10135	43.1
135.08070	13.2
135.11656	9.7
137.09615	8.7
139.11157	13.9
141.06966	11.3
142.07785	28.2
143.08571	49.1
144.09375	10.2
145.06461	6.7
145.10133	69.3
145.11281	3.4
146.10826	2.2
147.08078	12.9
147.11697	24.1
149.09586	11.2
149.13258	4.6
151.11279	4.2
153.07024	4.3
153.12692	2.1
154.07759	6.0
155.08557	23.3
155.10641	10.9
156.09329	22.3
157.10135	58.4
158.10901	5.8
159.08084	15.1
159.11682	33.0
160.08803	11.9
161.09583	14.5
161.13298	6.0
163.11203	10.7
165.06973	7.7
165.09122	3.0
165.12801	2.2
166.07793	6.1
167.08588	13.7
167.10663	18.5
167.14235	2.1
167.86972	2.0
168.09335	4.8
169.10127	31.5
170.10912	9.2
171.08078	4.7
171.10266	5.0
171.11661	37.0
172.12473	3.0
173.09596	12.2
173.13240	19.7
175.11209	10.2
175.14836	4.8
177.12692	2.3
179.08586	12.7
179.10623	2.4
179.14294	7.6
180.09381	7.8
181.10126	19.3
181.12233	20.8
182.10881	13.1
183.11690	27.4
183.13348	3.1
183.13609	2.4
184.12392	5.9
185.09615	7.1
185.13257	20.4
186.10434	3.2
186.13956	2.9
187.11163	7.1
187.14861	8.9
189.12682	5.9
190.13455	3.6
191.08740	3.0
191.14339	8.9
192.09319	6.6
193.10135	17.4
194.10925	9.2
195.11716	26.2
196.12468	8.6
197.13277	39.0
198.14110	4.8
199.11162	8.2
199.14818	13.3
201.12749	4.5
201.16376	4.5
203.14333	3.4
205.10210	3.8
206.10907	8.0
207.11731	19.7
207.13811	8.1
208.12462	6.8
208.14484	4.0
209.13318	20.1
209.15182	3.2
210.13998	6.7
211.11238	3.6
211.14859	20.4
212.15472	2.6
213.12857	9.7
213.16341	6.7
215.14328	17.4
217.10167	3.8
217.15981	3.0
218.10930	3.9
218.16701	2.6
219.11703	6.5
220.12560	4.5
221.13245	15.5
221.15401	17.1
222.13930	4.2
223.14760	13.0
224.15544	3.8
225.12746	4.2
225.14847	16.3
225.16666	5.1
227.14244	8.0
229.15877	3.5
230.10825	2.6
231.11703	3.4
231.17398	2.6
232.12354	3.6
233.13260	10.0
233.15392	37.2
234.14040	3.4
234.16167	4.2
235.14824	11.1
236.15556	2.6
237.12677	3.4
237.16481	11.3
239.14304	2.9
239.17952	3.7
241.15813	2.8
245.13303	3.7
245.18983	3.1
246.13870	3.0
246.16219	5.4
247.14728	4.9
247.16951	5.0
248.15524	3.1
249.16438	9.1
251.17891	5.3
253.15811	4.0
253.19606	2.1
255.17462	32.0
257.13086	2.4
257.18982	3.3
259.14734	8.1
260.15744	3.0
261.16336	6.3
263.17899	9.0
265.16034	2.7
265.19403	3.8
267.17490	2.5
268.18201	3.7
269.19058	5.3
270.19852	9.2
271.17224	3.0
271.20566	3.8
273.16040	4.3
273.18625	5.5
275.17871	5.2
277.19440	4.6
279.17203	2.1
281.18958	5.3
282.19836	4.7
283.20572	3.6
285.18811	4.0
286.19489	3.6
287.20306	2.9
289.19431	5.6
290.20212	2.9
291.20966	4.0
295.20605	5.9
299.19998	7.2
307.20886	2.3
311.20251	3.4
313.21884	2.7
329.22693	2.4
331.24146	3.3
334.22980	4.0
335.23535	2.5
337.25122	9.0
343.24026	2.1
347.23770	4.0
349.25201	4.9
365.24625	6.2
367.26154	6.6
383.25769	8.5
403.68890	2.2
410.99521	2.2
414.29166	5.4
513.62732	2.1
582.40955	2.8
600.41138	4.1
618.42896	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12951	2.0
53.03945	4.8
54.53527	1.7
55.01857	3.8
55.05267	3.4
55.05513	49.1
57.07069	8.5
59.04996	2.4
65.03960	2.6
67.05507	28.4
69.03441	15.8
69.07070	17.7
69.62466	11.3
71.04999	10.2
77.37952	2.3
79.05059	3.0
79.05495	35.3
81.03419	2.4
81.07058	49.3
83.04984	20.3
83.08138	3.3
83.08624	58.3
85.02897	2.2
85.06522	10.6
87.04473	3.3
91.05485	55.1
93.07045	59.2
95.04985	29.3
95.08618	33.6
97.06537	22.4
99.04453	4.8
103.05462	5.2
104.10729	7.2
105.07035	100.0
107.04966	7.0
107.08600	69.4
109.06523	16.3
109.09549	2.6
109.10170	26.0
111.08096	9.2
113.06013	2.6
113.09653	9.4
115.05449	7.9
116.06268	2.8
117.07021	27.9
118.07756	2.2
119.08589	84.4
120.09367	3.1
121.06505	12.7
121.10150	51.1
123.08063	21.4
123.11680	8.7
125.09625	20.6
128.06245	14.6
129.07019	25.1
130.07828	12.4
131.08585	44.5
132.09348	6.0
133.06519	4.3
133.10141	60.1
135.08052	15.9
135.11697	8.8
137.09605	7.8
139.11191	11.7
141.06979	9.9
142.07782	28.2
143.08554	51.1
144.09341	14.3
145.06543	5.8
145.10130	71.8
146.10843	3.0
147.08046	11.8
147.11697	19.9
149.09627	15.0
149.13258	2.5
151.07542	3.2
151.11226	2.7
153.06996	5.4
153.33028	1.9
154.07768	4.3
155.08589	24.9
155.10606	15.8
156.09357	21.7
157.10136	66.9
158.10934	9.5
159.08084	20.1
159.11687	34.6
160.08846	12.3
161.09598	14.4
161.13231	6.4
163.11172	6.2
165.07004	8.8
165.09100	4.1
165.12802	2.9
167.08571	12.9
167.10658	21.3
167.14384	2.9
168.09305	7.7
169.10144	30.7
170.10913	10.0
171.10265	3.2
171.11694	40.0
172.08907	2.5
172.12494	3.3
173.09592	10.7
173.13255	18.3
175.11230	11.8
175.14806	3.6
177.12737	3.4
178.07713	2.6
179.08606	15.9
179.14281	4.8
180.09320	5.9
181.10135	22.1
181.12241	25.9
182.10938	11.3
182.12331	2.2
183.11713	31.4
183.13562	3.8
184.12440	5.6
185.09608	4.0
185.13246	18.6
186.10355	2.1
186.13995	5.6
187.11179	7.8
187.14836	9.3
189.12718	7.1
190.13390	2.6
191.14305	10.2
192.09337	5.0
193.10153	15.8
193.74649	2.0
194.10962	9.8
195.11719	29.2
196.12506	14.2
197.09688	3.1
197.13271	37.4
198.13991	6.8
199.11200	7.7
199.14824	14.6
201.12759	5.0
203.14253	4.6
205.10100	5.7
205.12025	2.1
206.10909	7.3
207.11777	18.8
207.13606	3.1
208.12442	8.0
208.14433	4.3
209.09752	2.0
209.13266	24.9
209.15218	2.4
210.13995	6.5
211.11205	2.8
211.14835	24.4
212.12041	4.6
212.15472	4.7
213.12738	8.7
213.16406	5.3
215.14275	17.9
217.10165	2.7
219.11670	8.2
220.12445	7.1
221.13249	17.8
221.15398	22.8
222.13979	5.6
223.11189	2.8
223.14848	14.4
225.12869	4.7
225.14795	7.4
225.16498	5.6
226.17215	2.6
227.14287	7.2
229.15800	3.9
230.10988	3.4
231.11707	3.8
232.12544	3.0
233.13208	10.7
233.15379	41.3
234.14044	4.9
235.14854	12.6
236.15585	2.6
237.12752	2.9
237.16588	10.5
239.14351	4.9
239.17886	4.5
241.15884	4.5
243.11667	3.5
245.13260	6.1
246.13922	4.0
246.16232	4.8
247.14838	8.3
247.16986	6.6
248.15576	3.0
249.16493	9.4
249.18759	2.4
251.17923	6.3
253.15836	5.1
253.19620	3.7
255.17459	38.9
257.13107	4.0
257.19162	2.5
259.14713	4.4
261.16400	8.4
263.17914	7.9
265.15900	2.8
265.19492	5.2
267.17709	3.7
268.18262	3.4
269.19009	4.3
270.19791	7.8
271.14651	2.7
271.20639	3.4
273.16058	3.9
273.18600	7.6
275.17834	3.7
277.19431	3.3
279.17331	5.1
281.19040	6.8
282.19867	3.9
283.01938	6.8
283.20590	4.9
285.18622	4.2
286.19189	4.5
287.20248	4.5
289.19415	3.7
294.20004	2.8
295.20502	4.5
299.20029	6.8
300.20724	3.0
301.19293	2.4
308.21295	2.8
311.20148	3.3
315.21155	2.6
322.22812	2.7
329.22382	2.8
331.24042	3.0
337.25235	5.7
347.24069	3.9
349.25177	2.8
360.24530	4.1
365.24731	8.3
367.26221	6.3
373.25198	3.7
374.25946	2.8
381.25430	2.5
383.25928	14.9
414.29218	4.7
439.29669	2.4
457.31030	4.7
567.38049	2.4
582.40887	2.9
585.39850	2.3
600.41437	6.2
618.23157	3.1
618.33429	2.0
618.43079	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	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	25.8
57.07065	14.0
59.05008	6.8
62.65265	4.8
67.05502	20.8
69.03417	8.6
69.07070	5.8
69.94417	20.5
69.98911	4.2
71.05014	5.4
79.05501	22.4
81.07064	29.4
83.04960	8.0
83.08629	30.5
87.04481	63.0
91.05478	24.6
93.07058	36.3
95.04977	21.9
95.08625	25.0
97.06553	15.4
105.07041	63.2
105.07684	7.8
107.04969	4.6
107.08598	38.9
108.08966	4.7
109.06505	15.7
109.10186	10.8
113.09635	8.1
117.07044	11.7
119.08592	55.4
120.09427	5.2
121.06513	13.9
121.10170	23.1
123.08069	15.0
125.09594	7.9
128.06187	5.4
129.06979	9.7
130.07802	4.2
131.08588	32.6
133.06491	6.5
133.10152	28.6
135.08075	13.2
135.11751	11.2
137.09613	9.7
139.11214	7.7
141.07063	5.7
142.07770	14.5
143.08571	34.5
144.09299	9.3
145.10123	51.6
146.10672	5.0
147.08034	21.3
147.11693	13.5
149.09630	11.1
151.07532	6.8
155.08583	5.6
155.10658	5.4
156.09360	7.0
157.10172	47.1
158.10840	6.3
159.08086	12.0
159.11728	28.0
160.08794	13.7
161.09671	8.4
161.13309	5.4
163.11194	14.9
165.09100	33.1
167.08527	6.6
167.10596	6.3
169.10150	15.7
170.10829	8.2
171.11737	21.4
172.12370	5.4
173.09662	11.7
173.13367	6.7
175.11240	12.2
181.10139	6.4
181.12270	17.2
182.10863	6.9
183.11653	15.4
185.13248	8.8
186.13963	4.0
187.11177	5.6
189.12698	11.3
190.13440	5.2
193.12236	5.9
195.11719	15.0
197.13286	18.8
199.11240	8.3
201.12796	7.2
203.14264	11.4
207.11697	10.6
207.13879	5.9
208.14616	10.2
209.13223	12.9
211.14742	7.9
219.13792	8.8
221.13353	9.1
221.15370	69.5
222.13658	5.9
222.15764	8.3
223.14752	8.4
225.14890	13.1
227.14552	5.2
233.15433	18.3
233.18980	4.7
234.14046	5.5
234.16196	13.0
239.17790	4.6
247.16911	12.0
249.16353	5.0
286.19293	7.6
287.20062	58.6
299.20099	14.0
319.20483	5.6
325.21570	9.8
337.21573	6.7
352.24036	69.6
365.24628	18.3
367.26389	5.7
395.25681	4.7
525.35834	10.3
526.13007	4.5
526.35913	7.8
538.36530	100.0
618.42969	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	25.8
57.07065	14.0
59.05008	6.8
62.65265	4.8
67.05502	20.8
69.03417	8.6
69.07070	5.8
69.94417	20.5
69.98911	4.2
71.05014	5.4
79.05501	22.4
81.07064	29.4
83.04960	8.0
83.08629	30.5
87.04481	63.0
91.05478	24.6
93.07058	36.3
95.04977	21.9
95.08625	25.0
97.06553	15.4
105.07041	63.2
105.07684	7.8
107.04969	4.6
107.08598	38.9
108.08966	4.7
109.06505	15.7
109.10186	10.8
113.09635	8.1
117.07044	11.7
119.08592	55.4
120.09427	5.2
121.06513	13.9
121.10170	23.1
123.08069	15.0
125.09594	7.9
128.06187	5.4
129.06979	9.7
130.07802	4.2
131.08588	32.6
133.06491	6.5
133.10152	28.6
135.08075	13.2
135.11751	11.2
137.09613	9.7
139.11214	7.7
141.07063	5.7
142.07770	14.5
143.08571	34.5
144.09299	9.3
145.10123	51.6
146.10672	5.0
147.08034	21.3
147.11693	13.5
149.09630	11.1
151.07532	6.8
155.08583	5.6
155.10658	5.4
156.09360	7.0
157.10172	47.1
158.10840	6.3
159.08086	12.0
159.11728	28.0
160.08794	13.7
161.09671	8.4
161.13309	5.4
163.11194	14.9
165.09100	33.1
167.08527	6.6
167.10596	6.3
169.10150	15.7
170.10829	8.2
171.11737	21.4
172.12370	5.4
173.09662	11.7
173.13367	6.7
175.11240	12.2
181.10139	6.4
181.12270	17.2
182.10863	6.9
183.11653	15.4
185.13248	8.8
186.13963	4.0
187.11177	5.6
189.12698	11.3
190.13440	5.2
193.12236	5.9
195.11719	15.0
197.13286	18.8
199.11240	8.3
201.12796	7.2
203.14264	11.4
207.11697	10.6
207.13879	5.9
208.14616	10.2
209.13223	12.9
211.14742	7.9
219.13792	8.8
221.13353	9.1
221.15370	69.5
222.13658	5.9
222.15764	8.3
223.14752	8.4
225.14890	13.1
227.14552	5.2
233.15433	18.3
233.18980	4.7
234.14046	5.5
234.16196	13.0
239.17790	4.6
247.16911	12.0
249.16353	5.0
286.19293	7.6
287.20062	58.6
299.20099	14.0
319.20483	5.6
325.21570	9.8
337.21573	6.7
352.24036	69.6
365.24628	18.3
367.26389	5.7
395.25681	4.7
525.35834	10.3
526.13007	4.5
526.35913	7.8
538.36530	100.0
618.42969	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.5
55.01875	2.8
55.05513	36.4
57.07084	11.4
59.05002	3.0
64.86403	2.0
65.03935	3.2
66.66280	1.7
67.05508	24.5
69.03421	9.7
69.07072	10.5
69.80856	3.6
69.81267	10.2
71.04996	5.7
79.05500	30.5
80.06303	2.0
81.03414	3.2
81.07065	42.1
83.04990	18.9
83.08628	58.9
85.06557	11.6
87.04481	3.8
89.06094	1.9
91.05492	44.3
92.05827	3.6
93.07050	52.1
95.04964	27.2
95.08616	34.8
97.06532	16.3
99.04466	3.9
103.05494	3.5
105.07037	74.4
106.07351	5.2
107.04949	5.9
107.08595	54.2
109.06525	19.7
109.10169	20.9
111.04427	2.1
111.08104	6.2
113.09644	8.2
115.05444	5.1
117.07038	18.3
119.08585	70.3
120.09448	5.0
121.06543	12.4
121.10146	37.2
122.07269	3.2
122.10496	4.7
123.08075	27.4
123.11689	5.1
125.06004	12.1
125.09616	12.2
128.06274	6.7
129.07036	15.8
130.07817	10.6
131.08580	45.5
132.09331	4.3
132.67998	2.0
133.06458	5.6
133.10141	41.5
135.08072	19.2
135.11711	10.1
136.08868	2.8
137.05891	2.5
137.09612	13.7
139.07588	2.6
139.11237	10.0
141.06999	6.7
142.07773	20.7
143.08575	38.8
144.09358	12.4
144.99931	2.1
145.06497	4.2
145.10133	72.2
146.07286	2.8
146.10732	2.8
147.08098	21.8
147.11693	21.1
149.09660	14.5
151.07526	14.7
151.11182	3.5
153.09196	2.7
155.08592	16.6
155.10666	10.3
156.09369	16.3
157.10147	57.5
158.10878	8.1
159.08060	13.1
159.11710	33.4
160.08893	17.6
160.12421	3.4
161.09668	13.2
161.13306	7.9
163.11221	26.6
165.07074	5.0
165.09111	28.9
165.12790	2.9
166.07753	2.3
167.08580	7.8
167.10738	5.1
167.36317	2.0
168.09433	4.8
169.10110	21.8
170.10909	7.8
171.08015	3.6
171.10223	4.2
171.11682	30.8
172.08733	2.3
172.12395	7.5
173.09659	9.3
173.13263	15.3
175.11172	16.1
175.14857	2.9
177.09152	4.3
177.12787	5.0
179.08571	6.5
179.14342	5.2
180.09457	2.2
181.10168	13.6
181.12244	26.9
182.10884	9.6
182.12416	3.1
183.11696	19.8
184.12369	5.5
185.13226	15.5
187.11177	7.8
187.14847	7.2
188.11945	3.6
189.12773	8.8
190.13483	9.2
191.10718	2.4
191.14313	6.3
192.09302	3.0
193.10144	9.2
193.12219	8.2
194.10849	7.4
195.11752	22.1
195.13634	4.1
196.12405	6.1
197.09721	3.7
197.13272	19.1
198.13812	2.4
199.11221	7.6
199.14761	5.1
201.12767	6.5
203.14346	15.5
205.10065	2.1
206.10965	6.6
207.11707	7.6
207.13849	9.2
208.12483	6.1
208.14613	12.1
209.13268	17.4
210.10437	2.3
210.13890	4.1
211.11287	3.5
211.14896	12.2
212.15454	2.4
213.12775	6.7
213.16409	3.1
215.14365	7.6
216.15018	3.0
217.12402	2.5
217.15903	3.5
219.11766	3.9
219.13803	5.2
220.12553	2.6
221.13257	7.0
221.15375	73.5
221.17607	4.4
222.13902	5.1
222.15813	4.9
223.14906	7.5
224.15475	3.5
225.12811	4.2
225.14870	19.9
225.16287	3.9
227.14368	5.0
229.15829	3.3
231.13786	4.9
233.13213	6.8
233.15425	20.2
234.16141	17.1
235.11272	2.4
235.14885	7.0
237.12700	5.3
237.16409	7.4
239.18044	3.8
241.15915	2.8
243.13638	2.5
245.15530	4.2
246.16205	3.6
247.14857	4.7
247.17021	12.5
249.16484	5.2
251.14241	3.1
251.18115	3.2
253.16037	4.0
255.17409	7.9
256.17889	2.0
259.14685	2.5
259.17062	2.5
261.16196	3.8
262.16843	3.0
263.18069	3.0
265.15839	2.8
265.19360	2.9
271.17206	3.3
271.20279	4.5
273.18640	4.5
274.19116	2.4
275.17557	2.6
277.19427	2.5
279.21030	2.9
281.18954	4.1
285.18552	4.8
286.19180	6.5
287.20068	50.4
289.19583	2.4
297.18661	4.5
297.21951	2.6
299.20169	12.3
300.20752	3.2
303.19601	2.6
312.20877	4.6
313.21716	3.7
325.21774	12.7
329.21118	4.0
337.21640	7.4
339.23294	5.6
352.23993	78.3
353.24533	4.1
365.24710	15.0
367.26480	5.0
375.19736	2.2
383.26114	3.6
391.26166	3.8
394.28732	2.6
395.25903	5.1
472.31757	7.7
525.35590	10.1
526.36084	3.6
538.36627	100.0
539.37390	3.0
600.41412	3.1
618.42651	18.1
646.92603	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75247	2.1
53.03942	6.5
55.01875	3.5
55.05298	2.0
55.05514	22.8
56.05833	2.4
57.07089	17.5
59.04994	4.1
65.03937	3.7
65.59746	1.9
67.05505	17.5
69.03432	11.4
69.07069	6.6
71.04987	4.4
71.55577	2.9
72.16849	1.9
78.92256	2.1
79.05501	23.0
81.03419	2.7
81.07059	33.0
83.04986	9.9
83.08628	39.0
84.08945	5.3
85.06535	6.2
87.03989	3.8
87.04478	44.6
89.06025	2.2
91.05488	36.6
93.07052	43.5
94.07371	2.5
95.04982	23.5
95.08619	27.1
97.06562	14.4
99.04457	3.4
99.17027	2.1
103.05453	3.8
105.07040	60.9
106.07378	3.2
107.04939	5.2
107.08608	41.1
108.08890	2.7
109.06519	16.8
109.10171	17.7
111.08119	5.1
113.05917	2.7
113.09647	4.5
115.05457	3.6
117.07066	11.5
119.04977	2.8
119.08594	56.5
121.06505	8.2
121.10154	36.6
122.10493	2.6
123.08082	18.7
123.11743	3.6
125.05976	4.9
125.09613	8.7
128.06223	9.6
129.07018	14.9
130.07773	8.4
131.08568	29.5
132.09235	3.2
133.10149	27.3
135.08070	13.1
135.11681	9.7
137.09642	12.7
139.11183	9.7
141.06985	5.5
142.07777	14.6
143.08578	24.7
144.09416	9.9
145.06432	4.7
145.10144	50.4
146.10594	3.3
147.08080	19.5
147.11673	9.0
149.09625	10.0
149.68935	2.2
150.33455	2.1
151.07584	9.1
155.08549	8.9
155.10657	7.4
156.09300	9.6
157.10146	44.4
158.07251	2.6
158.10860	7.7
159.08087	10.6
159.11720	27.4
160.08788	6.6
160.12141	2.3
161.09625	9.9
161.13283	5.4
163.11211	16.0
165.07042	2.8
165.09128	26.7
166.07646	3.6
167.08577	3.2
167.10738	4.7
168.09338	3.8
169.10146	19.1
170.10703	5.8
171.11687	27.2
172.12411	4.2
173.09550	4.8
173.13280	9.5
175.11218	14.9
175.14905	2.3
177.09081	3.6
179.08531	5.5
179.14273	2.2
180.09320	2.8
181.10104	11.2
181.12238	16.1
182.10872	6.0
182.12581	2.2
183.11711	16.9
183.13127	2.5
184.12311	3.6
185.09598	4.9
185.13245	14.0
187.11221	5.7
187.14824	5.1
189.12704	7.0
190.13519	6.1
191.14311	3.6
193.10155	5.6
193.12242	8.6
194.10849	6.3
194.49699	2.7
195.11700	12.5
195.13326	2.9
196.12318	7.6
197.13286	14.2
198.10304	4.1
199.11153	5.0
199.14853	2.5
201.12791	5.2
203.14378	12.9
207.11678	7.3
207.13835	10.1
208.12439	2.7
208.14560	9.2
209.13297	16.4
209.15195	3.8
211.11311	3.3
211.14818	6.9
213.12791	5.1
219.13831	3.3
220.12474	3.5
221.13400	5.0
221.15379	59.0
222.13924	3.2
222.15846	3.5
223.14821	6.0
224.15536	2.9
225.12941	3.1
225.14729	14.1
231.13931	5.1
233.13326	2.9
233.15390	9.4
234.16205	16.0
235.14700	4.7
237.12698	3.8
237.16359	4.8
239.17879	2.6
240.28867	2.2
247.16940	12.1
249.16296	4.1
261.16223	5.2
263.17807	2.7
271.16965	3.4
273.18430	4.4
274.19232	4.0
281.18985	3.3
286.19223	4.9
287.20068	45.2
297.18539	2.9
299.20071	11.5
300.20645	3.2
311.20023	2.9
312.20828	4.7
313.21469	6.5
319.20511	2.7
325.21597	13.0
329.21051	5.0
337.21707	8.6
339.23245	4.2
352.23962	68.1
353.24734	4.2
365.24768	16.0
395.25861	5.6
438.30804	3.1
472.31802	6.4
498.33997	2.4
498.85617	2.3
525.35791	10.0
526.36084	3.7
538.36639	100.0
539.36395	2.9
618.42316	27.1
619.43860	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.05517	31.6
57.07066	9.8
65.03938	5.4
67.05511	30.5
69.03430	7.6
69.07072	18.5
69.47445	10.9
69.47862	12.2
71.04983	5.1
71.18164	3.6
71.81519	2.8
76.59267	2.8
79.05499	35.7
80.06270	3.4
81.07066	57.9
83.04976	16.1
83.08626	37.5
85.06549	7.3
91.05486	51.3
93.07056	65.0
95.04984	46.4
95.08607	45.2
97.06548	24.9
98.21474	6.7
103.05447	3.8
105.07037	91.7
107.04974	6.0
107.08606	64.8
109.06541	18.5
109.10163	30.6
110.66278	2.9
111.08073	7.7
115.05444	10.9
116.06248	3.8
117.07041	21.5
119.08597	100.0
121.06496	18.1
121.10155	43.6
123.08083	16.6
123.11707	12.9
125.09624	10.6
128.06227	12.7
129.07022	20.2
130.07794	8.0
131.08571	55.6
133.06520	4.5
133.10146	58.4
134.10870	3.2
135.08083	14.3
135.11699	23.6
137.09659	8.6
137.82469	3.2
139.11157	7.1
141.06953	12.0
142.07814	27.4
143.08594	40.7
144.09302	11.0
145.06461	5.3
145.10130	85.0
147.08052	12.2
147.11687	28.9
149.09647	14.3
151.07549	5.3
153.07054	5.1
155.08603	15.3
155.10699	8.4
156.09335	17.9
157.10144	63.4
158.10936	6.9
159.08072	8.4
159.11711	47.0
160.08826	9.4
161.09631	19.7
161.13248	13.0
163.11205	21.7
165.07054	5.5
165.09174	10.3
165.12759	3.6
167.08571	10.6
167.10701	7.7
168.09338	5.0
169.10144	26.2
170.10953	8.8
171.11668	32.6
173.09612	9.3
173.13263	25.0
175.11224	18.7
175.14819	18.2
177.12810	4.0
179.08582	9.2
180.09534	3.4
181.10132	15.8
181.12230	19.9
182.10846	8.4
182.12497	3.8
183.11722	24.7
185.13290	24.0
186.13995	4.8
187.11191	9.4
187.14845	12.0
189.12781	5.5
190.13493	5.6
191.14320	4.1
193.10146	8.6
194.10883	8.6
195.11684	18.6
196.12408	9.4
197.13264	25.2
198.13994	5.0
199.11366	4.0
199.14830	16.9
201.12772	4.7
201.16354	9.0
203.14395	5.4
206.10966	4.6
207.11635	10.8
207.13663	4.1
208.12563	3.5
209.13361	21.6
211.11293	3.3
211.14925	16.5
213.12801	4.7
213.16304	8.5
215.14320	10.6
219.17503	6.7
221.13223	13.1
221.15390	24.7
222.15736	11.3
223.14877	11.2
225.16592	6.9
227.14319	6.5
229.15884	4.5
233.13289	5.8
233.15407	17.0
234.16055	3.3
235.14780	6.8
237.16444	6.5
239.14337	5.6
239.18050	5.3
241.15837	4.4
245.13107	3.4
249.16516	6.4
251.18013	5.6
253.15984	6.8
253.19452	7.3
255.17496	11.4
261.16403	4.0
263.17960	4.7
265.19672	7.6
267.17380	4.9
281.18777	4.5
283.20471	4.4
285.21939	3.6
314.22446	6.3
335.23578	3.5
345.22299	4.4
365.24933	3.3
375.26862	6.2
383.25787	5.8
392.27109	4.5
393.27927	27.3
394.28552	5.9
600.41138	4.2
618.41724	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	618.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01878	1.0
55.05497	2.3
56.05044	0.7
57.03438	1.9
60.04504	0.7
61.02929	1.6
67.05496	2.0
68.05045	0.6
69.03085	0.8
69.03435	13.1
69.07069	2.3
69.84946	1.2
69.85362	2.3
70.06598	4.6
71.04994	2.1
72.08146	2.0
72.93806	0.7
73.02917	1.6
74.06088	0.6
79.05502	1.9
81.03426	10.5
81.03891	0.5
81.07062	3.1
83.04979	0.8
83.08629	1.0
84.04493	1.0
84.08147	2.3
85.02904	14.2
86.09713	4.4
86.35462	0.5
87.00806	3.1
87.04447	0.9
88.04025	1.3
91.05486	4.3
93.07053	4.1
94.06577	0.8
95.08603	4.2
97.02900	7.8
97.10183	0.8
99.04457	3.9
103.05463	0.6
105.01897	1.2
105.07014	4.4
107.08593	5.3
108.08116	2.1
109.02887	9.4
109.06524	2.2
109.10167	4.1
119.08594	9.1
120.08082	1.8
120.09332	0.6
121.10130	3.6
122.09635	0.9
123.08076	1.3
123.11708	2.0
127.03923	11.1
127.07500	0.6
129.10307	0.9
131.08571	0.8
133.10136	9.9
134.09642	1.3
135.11710	8.2
136.11272	0.7
137.09642	0.8
143.08620	0.8
144.08047	0.7
145.04961	3.5
145.06035	0.6
145.08957	1.5
145.10141	1.7
146.09663	7.7
147.11726	1.2
149.13213	0.8
153.10240	0.6
153.12764	0.9
154.08643	0.8
159.02890	1.1
159.10445	1.5
159.11664	0.8
160.11246	9.5
162.12766	1.6
172.11157	1.2
173.13335	1.0
174.09160	0.7
174.12794	5.8
175.14845	3.8
180.10158	0.6
186.12766	0.7
187.06007	1.3
192.10184	7.3
194.11847	0.8
206.11859	2.1
207.12532	5.1
210.03697	0.6
210.18645	1.7
214.09441	0.7
216.17493	12.3
220.13358	5.3
221.13611	0.7
234.18573	1.5
244.17169	0.7
262.18033	16.0
279.06607	0.9
280.19080	39.0
335.17120	2.7
335.67084	0.8
339.05679	0.9
355.99414	0.6
390.36917	0.6
415.17773	0.8
415.68008	1.1
442.24338	6.0
484.25430	13.8
510.23181	1.0
526.22754	0.9
528.24420	100.0
529.24872	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	617.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05517	38.8
56.05844	2.0
56.69268	1.7
57.07075	11.0
59.05002	4.2
65.12894	1.9
66.19653	1.9
67.05505	13.9
69.03430	8.7
69.07070	7.5
70.68326	2.6
70.68676	4.2
71.04994	4.6
76.86288	1.9
79.05518	16.4
80.05843	1.8
81.07057	23.5
82.97890	1.9
83.04984	10.1
83.08624	53.4
85.06554	5.8
87.04457	3.5
91.05489	24.2
93.07055	38.8
94.48102	1.7
95.04993	11.3
95.08609	24.8
97.06544	15.6
103.05446	2.6
105.07033	43.4
107.08610	39.1
107.42173	1.7
109.06536	8.7
109.10160	9.0
111.08056	4.3
113.09673	8.7
115.05437	3.7
117.07051	9.1
119.08599	41.2
120.08917	4.0
121.06527	5.4
121.10176	19.1
123.08092	23.6
123.11688	2.6
125.05984	3.2
125.09602	11.1
128.06230	4.5
129.07025	7.6
130.07809	2.5
131.08571	31.9
132.08916	3.0
133.06490	3.0
133.10147	21.0
135.08115	12.6
135.11682	6.5
136.08813	2.1
137.06042	1.8
137.09612	11.8
139.11166	7.4
141.06987	3.7
142.07793	8.5
143.08595	18.3
144.09227	4.4
145.06471	2.6
145.10143	32.5
146.10472	2.3
147.08047	20.9
147.11691	6.3
149.09622	6.4
151.07553	19.8
155.08563	10.0
155.10666	7.8
156.09338	4.8
156.98651	1.9
157.10146	27.8
158.10709	2.9
159.08086	5.7
159.11687	16.5
161.09621	5.9
161.13298	4.6
163.11220	6.9
165.09125	40.7
167.08565	4.1
168.09349	4.1
169.10139	17.1
170.10852	4.2
171.10349	3.5
171.11699	16.2
172.12434	2.8
173.09621	6.8
173.13254	7.2
174.10385	2.4
175.11227	6.2
175.14777	2.2
177.09105	2.8
179.08606	6.4
179.10721	2.3
179.14323	3.2
180.09268	3.4
181.10146	7.7
181.12260	23.3
181.87697	1.7
182.10942	4.2
183.11711	13.0
185.09647	2.5
185.13287	7.8
187.11203	6.2
187.14865	2.9
189.12746	7.7
191.14339	2.2
193.10172	5.1
194.10747	2.3
195.11736	11.3
195.13618	4.7
196.12396	3.9
197.13277	16.1
199.11192	3.2
199.14870	3.4
201.12790	3.2
203.14340	17.9
204.14626	2.7
206.10918	2.9
207.11743	6.0
207.13847	10.2
208.12364	2.9
209.13203	9.3
211.11310	3.2
211.14803	10.4
213.12733	4.4
213.16516	3.3
215.14236	2.2
219.13907	2.0
221.13342	7.5
221.15369	100.0
222.15750	6.2
223.11330	3.4
223.14909	13.8
225.12859	2.6
227.14352	2.3
229.15970	2.3
233.13205	3.3
233.15347	3.4
234.16190	3.0
235.14680	4.0
237.16437	3.1
247.16920	10.4
249.16347	5.3
251.17946	5.6
257.19525	2.1
259.14706	2.2
263.17767	2.2
271.16776	2.2
273.18741	4.6
281.19055	2.1
286.19263	6.8
287.20117	14.2
299.20126	13.0
300.20758	6.7
301.21661	2.4
311.20013	3.0
313.21585	8.5
325.21606	2.9
352.23859	3.7
353.24585	5.8
365.24799	5.4
391.26318	10.1
413.27481	2.6
431.29385	5.7
512.60217	2.1
525.35413	2.5
537.34937	6.7
599.41034	15.4
617.41870	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35045	2.5
55.01868	11.1
55.05526	2.6
56.05048	3.0
58.06590	11.9
58.99585	20.0
61.01126	6.6
67.05505	3.8
68.05053	3.8
69.03432	2.9
69.07050	4.2
69.44908	2.4
69.91374	9.0
69.91789	6.1
70.06597	23.7
72.08160	2.9
73.01145	21.0
74.00664	5.9
74.90845	2.5
76.02232	18.6
76.04034	2.8
77.88457	2.7
79.05487	6.0
81.07069	18.8
82.06616	3.6
83.08628	3.3
84.04507	98.0
84.08124	6.8
85.02908	6.3
86.09707	9.0
95.01333	3.7
95.08644	3.7
96.08138	23.9
98.21432	4.0
99.02688	42.2
101.04247	6.0
103.79079	2.7
104.98325	23.4
112.03972	26.4
113.04228	5.5
115.05817	23.4
116.01702	13.7
116.05336	60.7
116.07068	22.6
120.08126	3.1
124.07613	19.6
126.09187	5.3
129.10211	5.2
130.05006	21.9
142.03242	7.5
142.08638	17.1
144.01097	3.3
147.02954	31.0
153.45863	2.8
159.63644	2.6
162.02205	15.2
168.76620	3.2
170.08142	100.0
177.03238	5.6
179.00197	5.6
179.04898	25.2
202.05350	48.4
215.05588	6.1
219.07997	88.3
221.04933	6.8
229.06566	4.1
245.05968	4.2
245.09555	5.5
251.05183	12.3
273.08960	14.5
285.03824	3.5
305.06467	4.1
325.07022	3.5
348.12268	71.0
380.09348	7.1
387.04095	2.8
388.15182	3.4
454.11298	12.2
572.21112	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	617.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.1
55.01874	7.4
55.05517	77.5
56.16240	4.6
57.07061	14.6
59.04992	4.2
61.55363	4.2
65.03931	6.3
65.30470	4.7
67.05514	40.4
69.03446	25.3
69.07082	29.9
69.37457	38.3
70.17271	4.8
71.04990	16.8
79.05497	36.1
80.05846	5.1
80.30682	4.6
81.06630	6.8
81.07064	55.9
83.04986	33.7
83.08141	7.0
83.08627	100.0
84.08963	5.7
85.02911	6.9
85.06536	13.1
87.04489	7.2
91.05487	67.7
93.07055	70.0
94.07371	12.5
95.04996	39.5
95.08613	44.0
97.06541	40.4
105.07039	88.8
106.07356	14.2
107.08610	99.5
108.08909	7.2
109.06516	25.4
109.10157	38.8
111.08071	9.4
113.09641	19.8
115.05402	8.8
117.06998	18.0
119.08588	87.0
120.08983	9.0
121.06526	23.6
121.10147	61.9
122.10502	5.5
123.08092	23.2
123.11665	8.0
125.06029	11.2
125.09646	42.0
126.09911	4.9
128.06195	23.0
129.07085	25.8
130.07768	9.7
131.08598	52.3
133.06483	6.8
133.10144	49.2
134.10446	8.7
135.08090	24.8
135.11674	15.5
137.09590	20.6
139.11183	16.0
141.06996	11.8
142.07820	32.4
143.08601	50.0
144.09198	6.4
145.06453	8.0
145.10133	67.3
146.10495	8.0
147.08073	24.1
147.11711	12.3
149.09645	17.8
151.07562	14.3
151.11224	6.8
153.06996	7.5
155.08510	18.5
155.10667	22.8
156.09276	19.3
157.10138	66.3
158.10690	15.8
159.08081	44.1
159.11705	33.6
160.08411	17.9
160.12059	7.2
161.09581	16.8
161.13319	7.9
163.11172	9.7
165.07030	10.4
165.09090	14.3
165.12755	4.6
167.08556	15.3
167.10680	22.6
168.09337	12.0
169.10135	35.7
170.10780	12.6
171.11722	25.0
173.09622	17.0
173.13269	20.8
175.11226	6.6
175.14897	7.3
177.12772	7.1
179.08580	16.1
179.10535	7.0
179.14285	10.2
180.09372	8.1
181.10117	21.3
181.12227	29.0
182.10783	10.5
183.11716	29.3
184.12064	10.1
185.09587	10.2
185.13272	13.2
186.13756	7.4
187.11130	8.2
187.14754	7.4
188.11748	5.3
189.12823	6.1
191.14270	10.0
193.10172	13.8
194.10712	12.4
195.11699	30.3
195.13496	6.0
196.12276	16.0
197.13203	20.9
199.11125	6.0
199.14815	18.0
200.11565	7.8
201.12617	5.8
203.14375	9.3
206.10925	9.1
207.11668	22.1
207.13646	9.9
208.12340	14.2
208.14267	5.5
209.13216	34.5
209.15233	8.6
210.13689	14.0
211.11047	5.2
211.14806	18.4
213.12560	11.8
214.13228	5.7
215.14352	9.2
217.15825	6.9
218.10811	6.0
219.11623	8.1
221.13341	9.6
221.15341	70.9
222.13664	10.4
223.14783	14.0
225.12836	10.4
225.16573	7.0
227.14320	9.0
231.11574	5.6
232.12300	10.1
233.13298	8.1
233.15411	15.7
234.15836	6.9
235.14806	12.6
237.16539	6.9
245.15407	6.6
246.16145	7.6
247.14792	11.9
247.17018	7.4
249.16454	8.5
255.17473	11.3
256.17596	7.3
259.17105	5.2
263.17889	7.7
265.19626	6.7
273.16306	6.7
275.17944	7.1
281.18921	5.4
285.18622	9.4
286.19159	14.4
298.19269	7.3
299.20038	14.0
311.19989	9.3
333.22092	5.3
340.99146	5.5
364.23676	6.0
382.24258	5.5
431.29642	6.7
537.35748	5.6
573.48065	4.9
581.40179	6.2
599.40753	11.5
617.24152	5.5
617.41351	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	615.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05093	1.6
52.84007	1.7
53.03937	3.0
55.01883	1.9
55.05516	18.8
57.03437	5.0
57.07073	6.5
60.46215	1.7
65.03950	3.5
66.69275	1.5
67.05176	3.2
67.05511	54.0
69.06727	1.9
69.07077	24.3
70.94691	4.1
71.05010	2.0
71.08636	3.3
79.05501	30.9
81.07063	61.0
83.04971	1.8
83.08628	13.8
85.06541	2.4
89.06057	3.6
91.05481	22.0
93.07054	34.9
95.04944	3.4
95.08612	48.3
97.10172	7.3
97.13595	1.6
99.08089	2.6
105.07049	24.7
107.08598	26.2
109.10168	22.6
111.08118	2.0
117.07027	7.5
119.08599	22.3
121.10147	20.6
123.11700	9.3
131.08577	13.1
133.08618	3.3
133.10130	24.8
135.11710	13.2
137.13287	3.5
143.08559	4.1
145.10156	12.9
147.11691	18.3
149.13301	6.9
157.10185	2.9
159.11697	9.6
161.13248	8.2
163.14822	4.2
171.11655	3.1
173.13284	7.2
175.14891	5.4
185.13336	3.0
187.14821	5.2
189.16315	2.4
199.14989	1.8
201.16566	2.1
205.19527	2.6
215.18002	2.8
217.19493	1.8
233.22665	1.7
241.19571	2.2
259.20654	3.8
261.22098	9.4
263.23737	2.4
312.27621	2.0
315.26886	2.2
333.24472	2.7
335.25809	7.9
335.93585	1.7
337.27359	13.2
339.29468	2.6
421.78268	1.6
523.45050	5.2
541.46191	2.4
597.48737	13.3
615.49866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44464	1.0
55.65399	0.9
70.06599	92.5
71.11862	1.6
72.08160	2.1
74.06082	2.6
80.28858	0.9
84.04519	3.9
84.08115	1.1
86.09694	1.2
102.05552	3.7
112.07616	100.0
119.92390	0.9
130.05014	2.9
140.07079	68.2
150.05495	1.1
157.09743	18.4
168.06476	1.5
185.09225	1.0
196.28027	1.1
203.10257	2.2
213.08786	4.8
231.09750	3.7
240.13474	3.9
251.79845	1.1
268.12943	23.7
280.13965	1.1
323.17114	1.3
325.14932	2.1
332.14551	6.9
341.18314	1.1
351.16632	21.7
369.17728	10.4
389.89481	0.9
480.20871	12.8
497.37869	1.0
581.25714	3.9
582.23810	1.7
599.26691	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	615.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.4
53.03951	2.8
55.01875	1.6
55.05521	19.1
57.03435	6.0
57.07071	5.7
60.27754	1.2
65.03925	2.1
65.78954	1.2
67.05511	56.9
69.06729	1.8
69.07072	24.1
69.89325	5.6
71.08631	3.0
72.03561	1.2
72.13091	1.4
79.05499	31.3
81.07064	54.1
83.08623	16.6
84.91850	1.6
85.06527	2.2
85.10181	1.7
89.06053	2.2
91.05484	20.8
93.07049	38.4
93.93402	1.3
95.04963	3.3
95.08614	51.8
97.06547	2.4
97.10200	6.2
98.34356	1.2
99.08109	2.5
100.79022	1.2
105.07039	21.4
107.08606	22.2
109.06555	1.6
109.10165	22.6
111.11781	1.5
116.57611	1.2
117.07055	4.7
117.12941	1.3
119.08598	21.2
121.10149	20.5
123.08064	1.7
123.11748	7.4
129.06985	2.5
131.08583	12.9
133.10153	15.3
135.11696	12.6
137.13284	4.1
143.08583	3.9
145.10127	15.9
147.11703	11.9
149.13246	10.3
151.14821	2.1
157.10146	3.6
159.11702	12.4
161.13269	8.0
163.14842	4.8
171.11720	4.7
173.13283	8.1
175.14862	6.0
177.16557	2.1
185.13342	3.6
187.14795	6.7
189.16460	3.3
199.14931	2.4
201.16492	2.3
203.18106	1.6
229.19707	2.0
233.22693	1.9
241.19667	1.6
243.21175	2.9
259.20624	4.9
261.22198	11.6
263.23608	2.0
280.35950	1.5
283.25125	1.7
287.23944	2.1
289.25143	1.8
317.24857	1.7
320.91312	1.5
333.24335	3.2
335.25812	10.4
336.29880	1.6
337.27371	15.7
339.28964	4.4
523.45276	6.0
531.42175	2.0
541.46191	4.9
597.48523	10.8
615.49890	100.0
616.49701	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03951	3.8
55.05514	21.2
57.03439	7.0
57.07077	3.9
65.03935	2.6
67.05510	57.5
69.07077	19.6
70.81269	2.2
70.81648	2.1
71.04972	1.7
71.08594	1.4
79.05501	29.4
81.07065	54.0
83.04962	2.1
83.08629	10.6
85.06540	2.4
86.00546	1.1
91.05489	27.6
93.07052	40.4
95.04966	2.8
95.08615	45.9
97.06567	3.1
97.10178	4.2
103.05502	1.5
105.04502	1.7
105.07043	25.6
107.07876	1.5
107.08599	26.0
109.06482	1.2
109.10167	23.9
111.08072	2.3
117.07038	11.3
119.08598	22.5
121.10149	21.5
123.08036	1.2
123.11719	10.1
125.09619	1.6
129.07054	5.1
131.08577	19.1
133.10152	17.8
134.45419	1.2
135.11714	17.8
136.73224	1.2
137.13278	2.4
143.08606	6.8
145.10147	17.9
147.11690	17.0
149.13261	10.1
154.65602	1.2
155.08563	2.9
155.72369	1.1
157.10138	6.9
159.11714	16.0
161.13264	9.4
163.11159	1.2
163.14902	5.6
169.10156	2.9
171.11682	7.4
173.13272	14.8
175.14830	7.0
177.16402	2.2
183.11760	2.2
185.13248	5.5
187.14856	7.0
189.16396	2.8
197.13324	2.4
199.14894	5.1
201.16463	4.4
203.17955	2.1
211.14772	1.7
213.16454	3.3
215.18025	2.5
217.19542	1.5
227.17944	1.1
229.19653	1.4
233.18915	1.3
241.19591	3.8
243.21074	1.7
247.20589	1.5
255.21255	1.6
259.20544	11.4
261.22113	13.1
263.23663	1.4
283.22748	1.3
287.23660	1.3
299.23779	3.3
311.23648	1.1
315.23166	1.3
317.24805	3.0
325.25092	1.1
327.26804	1.6
333.24216	4.6
335.25836	16.7
337.27429	10.5
355.30081	1.2
368.87399	1.2
489.35724	1.4
503.42834	1.7
517.38733	1.5
521.43481	7.0
529.38721	1.8
531.40460	1.7
539.44623	4.1
595.47235	13.8
613.48273	100.0
614.48431	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	615.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.05516	16.2
57.07081	18.6
58.79143	2.5
59.05000	3.7
59.94736	2.5
61.48717	2.3
67.05209	3.0
67.05509	28.9
69.03429	11.0
69.07065	8.3
70.62149	4.2
70.62479	5.3
79.05508	16.5
81.07066	38.2
81.79021	2.6
82.07378	3.7
83.04977	10.1
83.08617	4.0
85.06551	5.7
89.06030	8.6
91.05490	27.3
93.06528	3.9
93.07053	29.3
95.04984	36.1
95.08611	28.4
96.08949	4.9
97.06537	11.0
103.05469	3.1
105.07044	47.6
106.07323	3.0
107.08610	32.7
109.06551	18.8
109.10151	11.3
111.08132	3.0
114.85976	2.6
115.05449	2.9
117.06996	11.8
119.04897	2.9
119.08596	42.9
121.06528	13.2
121.10147	22.2
122.07280	3.7
123.08086	28.1
123.11727	3.4
125.05987	11.9
128.06210	8.1
129.07016	12.0
130.07758	5.6
131.08578	25.6
133.06494	6.3
133.08626	2.9
133.10150	27.2
135.08060	15.3
135.11700	7.5
137.05977	4.7
137.09642	12.1
141.07002	4.4
142.07777	10.1
143.08569	14.6
144.09247	5.6
145.06454	3.0
145.10109	25.0
147.08064	28.9
147.11714	7.4
149.09644	7.9
151.07567	35.7
155.08574	8.3
156.09335	10.4
157.10161	25.6
158.10713	3.7
159.08069	6.9
159.11723	24.3
161.09639	9.5
161.13232	7.1
163.11186	25.9
165.07054	4.1
165.09137	41.3
167.08606	5.1
168.09253	2.6
169.10159	10.8
170.10841	4.4
171.11754	16.2
173.09587	7.3
173.13242	9.2
175.11220	10.9
177.09221	4.5
177.12726	3.2
179.10666	5.0
181.10146	6.1
181.12239	26.7
183.11708	10.7
185.09645	5.5
185.13226	9.0
187.11253	6.1
187.14731	4.2
189.12756	10.5
190.13570	3.5
193.08566	5.6
193.12134	3.5
195.11714	7.3
195.13771	3.5
196.12357	3.2
197.13326	5.0
199.11214	10.1
199.14859	3.5
201.12758	6.5
203.14304	15.5
207.11888	3.7
207.13800	13.4
209.13345	6.7
209.15262	3.8
211.11072	3.4
211.14856	5.3
213.12880	5.2
215.10757	3.3
221.13359	4.1
221.15363	80.4
225.16389	3.9
227.14369	6.4
229.12160	4.0
231.13869	3.9
233.15443	3.6
239.14177	2.8
247.17020	7.0
249.14847	9.7
265.15527	2.5
271.16946	3.6
273.18546	4.6
285.18463	2.7
286.19336	9.2
287.20126	6.8
299.20032	4.2
311.20462	2.9
312.20764	13.8
313.21533	7.2
315.19507	6.9
325.21317	3.0
329.20853	2.8
366.25522	4.6
381.24103	4.9
407.25980	14.8
435.28952	4.8
453.30029	3.3
523.44464	4.1
597.39368	8.6
615.40149	100.0
615.49036	40.2
616.40338	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	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03940	3.1
55.05513	18.0
56.57731	1.2
57.03442	7.7
57.07064	2.9
65.03935	2.2
66.35211	1.2
67.05506	55.9
69.07069	20.7
69.87139	4.6
69.87567	2.0
71.08619	1.8
78.61047	1.1
79.05495	32.3
81.07059	62.8
82.84628	1.1
83.04957	1.0
83.08618	9.2
85.06537	2.5
91.05479	24.5
93.07047	38.4
93.09357	1.1
95.04958	3.3
95.08608	42.3
97.06549	3.0
97.10180	4.8
99.08076	1.9
100.91789	1.1
105.07032	27.4
107.08601	26.2
109.10161	24.8
111.08103	2.1
115.05502	1.4
117.07025	8.8
119.08591	24.7
119.09448	1.3
121.10149	20.5
123.11705	10.0
127.07539	1.1
129.06985	5.3
131.08577	20.5
133.10136	20.8
135.11690	13.1
137.13222	4.2
139.11160	1.8
141.07079	1.1
142.45853	1.2
143.08557	5.5
145.10129	18.4
147.11676	14.0
149.09631	1.5
149.13240	8.1
151.14874	2.4
155.08551	2.2
157.10150	4.8
159.11702	15.2
161.13254	10.4
163.11209	1.3
163.14859	5.0
169.10211	2.0
171.11694	8.1
173.13274	10.3
175.14828	4.7
177.16479	1.3
181.10133	1.4
183.11751	2.2
185.13231	6.5
187.14806	9.2
189.16447	3.9
195.11618	1.1
197.13303	2.6
199.14827	3.7
201.16434	4.4
203.18033	3.1
205.15923	1.2
213.16467	2.1
215.18016	1.8
221.22662	1.4
231.17464	1.6
231.21216	1.5
241.19629	3.6
243.21114	3.2
247.20589	1.4
259.20517	8.9
261.22131	8.7
263.23666	1.4
273.22034	1.5
277.21674	1.5
281.21375	1.1
287.23706	1.3
299.23621	2.2
317.24905	1.7
327.27042	1.4
333.24252	5.1
335.25803	14.3
337.27298	8.8
347.26004	1.2
486.73895	1.4
489.35260	1.6
503.36713	1.3
521.43488	6.8
539.44574	3.6
543.40295	2.0
595.47205	11.0
613.48242	100.0
614.48602	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	613.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01616	0.7
55.01872	5.9
55.05515	9.0
57.03435	0.6
57.07084	1.9
64.04124	0.3
65.03950	1.8
67.05508	26.6
69.07075	8.1
71.05005	0.8
71.08646	0.9
71.40287	0.7
73.04765	0.5
74.09716	0.6
75.09647	0.3
77.92745	0.3
79.05496	13.3
81.03415	0.4
81.07060	49.7
82.07415	0.6
83.04977	2.9
83.08631	3.9
83.96003	0.3
85.06569	0.9
85.10216	0.4
89.06019	0.4
91.05449	6.8
92.05732	0.4
93.07050	11.0
95.04979	1.0
95.08612	20.6
97.06534	2.0
97.10179	1.4
99.08086	0.8
105.07031	6.8
107.08604	7.6
109.06522	12.0
109.10161	7.4
111.04448	14.8
111.08078	1.5
113.06032	0.4
117.07047	1.4
119.08587	6.9
121.10146	7.6
123.08055	2.5
123.11720	3.3
125.05999	4.8
125.09671	0.4
129.06995	0.7
131.08582	3.0
133.06497	0.4
133.10121	6.4
135.08028	2.4
135.11690	5.1
137.05983	100.0
137.13243	3.1
138.06256	0.4
139.07506	0.7
139.11192	0.6
142.07870	0.5
143.08578	1.6
145.10143	2.9
147.08066	1.3
147.11682	8.3
149.09637	4.2
149.13249	2.4
151.07552	3.4
151.11208	1.3
153.09128	0.4
153.12772	0.4
157.10159	2.4
159.11769	1.9
159.76692	0.4
161.09618	6.5
161.13268	3.9
162.29886	0.4
163.11166	3.8
163.14821	1.3
165.09187	2.2
165.12799	1.0
166.99834	0.3
167.05614	0.4
167.10670	0.8
169.10155	0.5
171.11705	1.3
173.13306	1.3
175.11180	5.1
175.14868	1.2
177.09102	0.4
177.12769	1.2
177.16527	0.4
179.10655	2.0
179.14278	0.4
181.12241	0.7
185.13293	0.9
187.14835	0.6
189.12750	1.4
189.16385	0.4
193.12271	1.5
197.13361	0.6
203.14276	0.5
203.17963	7.2
205.19569	1.1
207.13779	0.5
213.16370	3.1
217.19441	0.4
221.19026	2.6
223.14873	0.9
231.15085	0.5
231.17448	11.0
232.88266	0.4
241.15889	1.7
245.22577	0.7
249.18507	12.4
259.16986	0.6
259.20551	0.5
261.22086	0.4
263.23779	1.1
277.17999	69.2
278.18341	0.5
279.19650	0.4
279.23224	1.3
295.19058	17.7
313.09161	0.4
335.26083	0.5
351.21667	1.1
356.07080	0.6
358.06689	0.5
521.43781	0.4
595.46191	0.5
613.44495	31.5
614.44727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.1
57.03441	6.4
57.07087	6.8
59.33374	3.6
67.05519	37.6
69.03418	9.8
69.07072	38.9
69.39424	30.9
70.06599	100.0
72.08166	21.8
74.06136	4.5
79.05493	21.5
81.03413	6.8
81.07065	85.5
83.08638	6.5
84.04493	9.6
84.08141	14.6
85.02914	23.9
85.06541	14.3
86.06080	6.2
86.09711	46.1
88.39948	3.5
90.44157	4.1
91.05488	15.0
93.07053	27.7
94.06530	6.0
95.07302	4.7
95.08625	32.1
96.08966	3.5
96.61266	4.1
97.02895	8.8
98.20761	8.9
99.08102	91.7
103.05451	5.9
105.07006	18.3
107.08594	23.4
108.08114	5.1
109.10165	41.8
110.07167	9.4
110.09702	6.3
117.07030	9.0
119.08604	20.5
120.08161	19.7
121.06493	28.6
121.10133	20.4
127.03915	4.9
127.11185	9.2
127.55737	3.9
127.75723	4.0
128.06229	4.8
129.06967	6.7
129.10220	7.1
131.08606	17.9
133.10165	19.4
135.11694	8.4
136.07547	5.8
138.09158	11.8
139.07556	36.7
142.07767	7.6
143.08569	22.7
145.05090	5.1
145.10133	32.7
147.11685	31.6
149.09607	4.7
149.13254	10.5
153.12784	5.4
155.08582	21.4
157.10143	55.8
159.11717	23.1
161.09669	5.3
161.13274	9.4
166.08673	12.3
167.08569	4.9
169.10120	19.4
171.11671	12.2
173.09576	7.1
173.13179	9.2
175.11195	8.7
181.10147	11.9
183.11694	21.7
185.13266	14.1
187.14825	9.5
195.11685	18.7
196.12576	5.1
197.13287	11.4
199.14819	5.7
203.10336	8.5
209.13266	15.5
211.14867	28.0
213.16226	5.9
217.84206	4.0
221.74654	3.8
223.14894	11.7
225.16458	8.5
227.14218	4.6
229.15881	15.9
237.16357	10.6
239.11844	3.7
251.17973	44.2
252.18497	6.8
253.19551	56.2
255.17328	7.5
269.19012	86.9
271.20581	62.4
273.12241	5.8
281.22650	19.0
281.36478	3.8
285.12421	8.0
285.98773	4.1
287.05539	7.5
287.13724	4.4
287.20093	44.5
288.20432	6.5
293.12674	4.5
299.23672	14.3
300.15582	7.1
309.12424	6.2
327.13568	8.1
379.30023	33.7
397.31015	80.7
399.32687	7.3
415.32138	43.6
433.33215	20.1
448.18539	5.5
451.32843	5.5
460.18954	4.7
492.21359	9.4
516.53284	5.0
613.26569	15.5
635.35919	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.9
52.66758	0.9
53.03939	3.2
54.12510	0.9
54.63961	0.7
55.01872	1.8
55.05259	1.2
55.05516	17.4
55.25961	0.7
57.03447	5.3
57.07075	3.5
58.17571	0.9
62.43303	0.8
65.03955	1.2
67.05510	39.8
69.07072	15.8
69.43313	2.8
69.43742	3.5
71.04995	0.9
71.08647	0.9
79.05056	1.7
79.05501	28.0
79.05965	1.5
81.07066	40.2
83.04974	1.8
83.08619	7.6
85.06570	2.2
91.05482	26.7
93.06466	2.0
93.07057	34.2
95.04977	3.4
95.08611	35.0
97.06532	2.5
97.10173	4.2
98.21442	1.8
99.08096	1.1
103.05473	1.2
105.04498	0.9
105.07044	31.5
105.07745	2.0
107.08607	19.5
109.06513	1.4
109.10173	13.4
111.08096	1.4
115.05462	2.0
117.07027	11.5
119.08591	26.6
119.09463	1.3
121.10152	17.6
123.08102	1.2
123.11703	4.4
125.09634	1.6
126.47437	0.7
128.06261	2.1
129.07018	9.0
130.07805	1.1
131.07591	1.2
131.08582	23.5
131.09517	1.8
133.10144	20.9
135.11713	11.4
137.09721	0.8
137.13271	2.0
139.11208	1.1
141.06960	2.8
142.07809	1.5
143.08583	12.2
144.09433	1.4
145.10130	19.7
147.11702	16.5
147.12788	1.3
148.17838	0.8
149.13275	7.3
149.86780	0.9
151.11151	0.9
155.08577	4.5
156.09360	0.9
157.10147	11.7
159.11699	15.8
161.13266	10.2
163.11232	1.4
163.14854	3.9
167.08554	1.2
169.10143	6.5
171.11679	11.9
173.13260	12.0
175.14842	5.2
179.14397	1.2
181.10143	3.0
183.11734	5.7
185.13283	9.8
187.14836	5.4
189.16388	2.5
195.11736	2.3
197.13277	4.1
199.14850	6.9
201.16408	2.6
203.18016	1.0
209.13313	3.7
211.14885	2.5
213.16469	3.9
215.18034	2.0
217.19548	1.1
223.14874	1.2
225.16414	2.1
227.18120	1.9
229.19580	1.9
231.21219	1.6
239.17986	2.4
241.19550	8.4
243.21140	1.8
257.19073	3.2
259.20587	15.1
261.22284	3.3
263.23758	1.3
267.21127	1.3
271.20602	1.4
275.20135	1.0
277.21814	1.0
285.22043	0.9
299.23956	1.0
315.23236	1.6
325.25162	1.1
333.24265	10.4
335.25803	16.1
337.27560	1.4
339.26883	1.2
353.28409	2.4
395.29312	0.9
501.41415	1.4
502.17676	1.1
519.41815	6.3
527.37482	1.1
532.22443	0.9
537.43073	4.1
542.40002	1.0
593.45599	9.1
611.46735	100.0
612.47345	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07550	0.9
53.03944	2.9
53.60885	0.9
55.01867	2.1
55.05259	1.5
55.05514	17.9
55.05779	1.0
56.67283	0.8
57.03442	4.8
57.07076	4.3
59.05005	1.3
65.03935	3.4
66.65608	0.8
67.05508	40.9
69.07072	15.9
69.24624	4.4
69.25055	4.3
71.04980	2.3
79.05496	31.7
81.07061	45.2
83.04993	1.7
83.08628	8.5
85.06564	2.7
91.05048	0.8
91.05483	33.7
93.07049	42.2
95.04960	4.2
95.08611	37.0
97.06545	2.6
97.10178	3.4
99.08108	1.1
103.05551	0.9
105.04559	1.5
105.07040	31.9
107.08604	21.9
109.06548	1.8
109.10169	17.1
111.08125	1.5
115.05432	2.1
117.07027	13.9
119.08582	27.5
121.10145	16.6
123.08099	1.9
123.11720	4.4
128.06224	2.2
129.07016	12.0
130.07788	1.1
131.08580	22.5
133.10136	21.8
135.11702	12.7
136.12036	0.9
137.13242	1.2
141.07022	1.6
142.07761	2.7
143.08568	13.5
144.09360	1.3
145.10126	23.7
147.11682	15.1
149.13278	5.4
155.08600	7.1
157.10138	12.1
159.11710	16.7
159.12994	1.0
161.13243	11.6
163.11273	1.5
163.14777	2.1
165.12802	1.2
167.08659	2.3
169.10135	7.9
171.11696	11.8
173.13268	11.7
173.14485	1.1
175.14821	5.7
179.08632	1.3
181.10098	2.4
183.11714	6.1
185.13226	9.4
187.14810	4.9
189.12741	1.2
189.16414	1.5
194.10789	1.0
195.11745	3.4
197.13312	3.2
199.14871	7.1
201.16438	3.6
203.14288	1.0
209.13304	2.4
211.14926	3.1
213.16461	5.9
215.17984	1.6
216.16963	1.0
223.14845	2.0
225.16418	2.0
227.18082	1.9
229.19521	1.4
231.21056	2.0
237.16495	1.2
239.17979	2.8
241.19705	7.2
243.21024	1.5
251.17897	1.3
253.19641	1.9
254.14961	0.9
254.74635	0.9
257.19098	3.0
259.20581	15.3
261.22174	4.2
275.20352	1.3
283.20636	1.4
285.22299	1.2
297.22147	1.3
299.23923	1.7
311.23895	1.7
315.23184	1.0
316.19901	0.9
331.22626	1.1
333.24164	8.4
335.25775	16.9
337.27448	1.6
353.28494	1.4
365.28384	1.3
491.38998	1.1
519.42084	7.3
537.42773	3.3
593.45532	10.8
597.21820	1.1
611.46698	100.0
612.47083	3.0
618.18762	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49495	0.8
53.03941	2.5
55.01873	1.3
55.05516	13.1
57.03429	3.5
57.07078	3.6
65.03934	1.6
65.60921	0.7
67.05508	24.6
69.07073	13.1
69.43369	2.8
69.43800	3.4
71.08626	1.9
79.05495	16.5
81.07060	24.2
83.08626	6.7
85.06533	1.7
91.05475	13.7
93.07050	18.0
95.05006	1.4
95.08613	20.0
97.06539	2.0
97.10183	3.9
99.08125	1.5
100.86902	0.7
105.07035	17.3
107.04986	1.0
107.08593	11.1
109.06495	0.8
109.10159	8.5
110.83081	0.7
111.08098	1.0
115.05465	1.4
117.07027	11.3
119.08583	15.0
121.10138	7.1
122.41791	0.7
123.08119	1.0
123.11721	2.4
125.09672	1.0
128.06224	2.7
129.07001	9.0
130.07857	0.8
131.08580	16.8
133.10138	9.0
135.11684	4.6
141.07036	2.9
142.07787	1.4
143.08566	13.9
144.09340	0.8
145.10135	16.5
147.11719	6.6
149.13264	2.7
155.08566	6.7
156.09317	1.0
157.10138	11.1
158.10941	0.7
159.11693	9.8
161.13281	3.8
163.14857	1.0
167.08591	2.2
169.10143	8.5
171.11697	9.5
173.13318	6.4
175.14893	1.9
177.16437	1.8
179.08542	0.8
181.10114	4.2
182.10925	0.9
183.11694	8.8
185.13229	6.7
187.14844	5.8
189.16458	1.8
191.17947	1.5
193.10201	1.1
195.11729	4.0
197.13203	5.6
199.14894	4.4
201.16460	2.1
203.14102	0.9
205.19643	0.8
207.11615	0.9
209.13289	2.5
211.14848	4.1
213.16451	3.8
215.17953	1.6
221.13251	1.1
221.60278	0.9
223.14845	2.1
225.16434	3.0
227.18033	2.8
229.19568	1.9
235.14737	1.3
237.16441	2.0
239.17976	2.0
241.19615	2.5
243.21031	1.4
249.16466	0.9
251.17998	1.5
253.19646	1.8
255.21144	1.9
257.18997	1.4
259.20639	0.8
261.22147	1.0
267.21072	1.3
275.20111	1.4
277.21729	1.4
297.22028	1.1
311.23621	1.2
325.21539	0.9
325.25388	0.8
339.23038	0.8
344.18503	0.9
353.28421	1.4
367.30093	1.3
383.44702	0.8
407.33347	1.1
432.20654	0.9
435.32007	0.9
441.84528	0.8
447.30362	0.9
464.58783	0.8
501.41165	1.2
519.42017	10.0
523.38165	1.1
537.43201	6.6
541.39185	2.0
575.44250	1.1
593.45660	9.8
596.78748	0.8
611.46704	100.0
612.47052	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60477	0.6
50.67449	0.6
51.02389	0.7
53.03952	1.2
55.01863	1.7
55.05269	0.8
55.05516	13.2
57.03452	3.5
57.07072	2.8
62.27098	0.6
65.03928	1.4
65.99324	0.6
67.01859	0.7
67.05510	29.1
67.05873	1.5
69.07069	11.2
69.24764	3.8
69.25183	2.5
71.04992	2.2
71.08627	2.4
79.05495	21.5
81.07060	32.3
83.04977	1.5
83.08619	5.8
85.06562	2.0
91.05477	18.7
93.07047	23.1
95.04983	2.1
95.08612	21.0
97.06528	2.2
97.10161	3.7
98.20737	1.6
99.08096	1.3
103.05509	0.9
105.07036	19.7
107.08593	14.0
109.06547	1.2
109.10162	9.3
111.08095	1.8
111.11741	0.9
115.05503	1.1
117.07028	8.3
119.08588	14.3
121.10159	9.3
123.08039	1.0
123.11724	2.7
123.12715	0.7
128.06229	1.8
129.07002	8.9
131.08568	16.6
133.10139	10.9
135.11703	6.0
137.06010	1.3
137.13266	1.7
141.06990	3.7
142.07800	1.8
143.08563	10.0
145.10133	13.2
147.11703	9.0
149.09572	1.0
149.13300	3.8
151.11217	1.1
151.14992	0.8
153.07050	1.0
154.07854	1.1
155.08557	7.2
156.09369	1.8
157.10147	8.8
159.11705	12.0
161.13271	7.0
163.11255	1.0
163.14819	2.6
165.07033	0.9
167.08585	1.6
168.09317	0.7
169.10126	6.7
170.10846	1.0
171.11714	8.0
173.13266	8.4
175.14856	4.4
177.12750	0.8
177.16414	0.8
179.14285	0.9
181.10175	3.0
183.11732	5.6
185.13261	6.7
187.14847	4.1
189.16466	0.7
193.10413	0.8
195.11714	2.0
197.13240	4.6
199.14838	5.7
201.16403	3.2
203.18016	1.3
205.19496	0.7
209.13345	2.1
211.14847	4.1
213.16397	4.2
215.18071	1.2
217.19493	1.1
219.17560	0.9
223.14812	1.9
225.16476	2.9
227.18008	2.7
229.19626	0.7
231.17229	0.7
231.21089	1.1
233.19197	0.9
237.16452	1.1
239.18030	2.3
241.19661	3.8
243.21210	1.8
251.18080	1.0
253.19444	0.8
257.18918	1.6
259.20557	8.4
261.22223	1.7
267.21225	1.2
277.18103	1.1
277.21661	1.8
279.04691	0.7
281.22473	0.8
285.22119	1.0
297.22095	0.7
309.22241	1.2
311.23816	1.1
315.23260	1.3
325.25253	1.0
333.24152	4.2
335.25879	6.9
347.11328	0.7
381.31683	0.9
449.34024	0.7
501.41104	1.6
506.31424	0.7
519.41998	6.5
537.42908	4.2
541.38043	1.1
555.43988	2.4
575.44482	0.8
593.45618	6.9
611.46692	100.0
612.46857	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03935	0.1
55.01859	0.1
55.36883	0.0
57.03405	0.2
61.02899	0.2
68.34232	0.0
68.99785	0.4
69.03431	0.6
70.06561	0.1
70.37408	0.2
71.04957	0.1
73.02886	0.1
77.69053	0.1
79.05482	0.1
81.03409	0.3
82.23621	0.1
85.02908	2.3
87.04477	0.1
90.09230	0.0
95.04990	0.1
97.02348	0.1
97.02890	0.6
99.04460	0.1
103.88882	0.1
105.03408	0.3
107.04937	0.2
109.02884	0.4
111.00809	0.6
121.01987	0.1
121.02866	2.0
127.03907	0.6
129.07002	0.1
131.04889	0.1
133.02873	0.4
135.04381	0.1
137.01514	0.1
137.02354	0.7
140.64909	0.1
141.06926	0.1
145.04994	0.5
145.06468	0.2
147.04411	0.4
149.02289	0.1
153.01834	3.0
157.06512	0.3
161.05945	0.1
165.01833	1.7
168.56906	0.1
169.06572	0.1
171.04407	0.2
175.03914	0.1
175.07545	0.1
183.02890	0.8
185.05981	0.4
189.05519	0.1
194.02042	0.1
197.06017	0.1
203.07086	0.1
213.05475	1.2
213.12367	0.1
217.04996	0.1
229.04964	0.1
231.06499	0.7
241.04970	0.9
243.06569	0.1
258.05249	0.9
259.06061	0.4
269.04456	0.2
270.05099	0.1
284.92526	0.1
286.04791	0.1
287.05496	100.0
288.05814	1.5
299.05521	0.1
303.05020	0.1
311.05563	0.1
329.06522	0.4
353.06464	0.1
395.07501	0.1
431.09662	0.1
449.10800	14.6
450.10965	0.3
611.16180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35300	0.5
53.03918	2.0
55.01843	2.0
55.05518	2.9
57.03435	3.6
60.02343	0.4
61.02935	3.4
62.58900	0.4
67.05505	5.3
69.03431	11.2
69.07068	35.5
70.06592	3.5
71.04959	1.8
72.08125	1.0
73.02885	1.9
73.06568	4.7
77.03904	0.6
79.05497	7.1
81.02998	0.4
81.03425	6.5
81.07059	12.4
83.01318	0.7
83.04953	0.8
83.08575	0.8
84.08107	1.9
85.02906	27.2
85.06510	0.8
86.09703	3.8
87.04440	2.0
91.03939	1.5
91.05477	6.7
93.07042	11.8
95.04955	2.5
95.08607	14.9
95.43936	0.5
97.02893	10.2
97.06536	8.8
98.20743	0.8
99.04436	2.6
99.08077	0.6
105.07029	15.2
105.40138	0.5
107.04920	1.7
107.08590	11.4
109.02872	3.8
109.05799	0.8
109.06517	15.8
109.10153	3.6
111.08038	0.6
115.07571	17.1
116.84487	0.5
117.06995	3.2
118.06841	0.7
119.07799	0.8
119.08584	10.2
120.08105	0.6
121.06504	2.9
121.10130	8.1
123.08047	2.5
123.11672	1.7
125.05986	0.6
125.09618	1.8
127.03903	7.0
127.11221	0.7
128.06212	1.3
128.54022	0.5
129.07030	3.0
129.10204	0.9
130.07716	0.7
131.08562	8.8
133.06410	0.8
133.10129	9.8
135.08047	0.9
135.11671	3.1
137.05952	1.8
137.09625	1.0
141.06956	1.7
142.07755	1.2
143.07489	0.7
143.08562	11.9
144.09299	0.5
145.04996	4.8
145.10127	18.2
147.07997	1.0
147.11685	23.2
149.09596	1.5
149.13229	2.7
151.07547	0.7
151.11159	0.8
155.08540	5.7
156.09369	0.7
157.10155	8.2
159.07996	0.8
159.11707	10.0
161.09622	2.3
161.13257	9.7
163.11165	1.4
163.14803	1.1
165.12706	0.6
167.08548	1.1
167.09233	0.7
167.10674	13.9
169.10115	6.5
169.12259	0.5
171.11699	6.1
173.09607	2.4
173.13255	5.0
175.11101	2.0
175.14784	1.7
177.12712	0.7
177.16360	0.5
181.10107	4.4
183.11691	4.0
185.13272	5.2
187.11172	1.1
187.14737	2.6
189.12843	0.8
189.16393	0.6
191.77637	0.5
193.12163	0.7
195.11700	6.8
197.13298	2.7
199.11118	0.6
199.14813	6.4
201.16377	7.9
203.17917	0.6
207.11610	0.7
209.11751	0.6
209.13290	5.2
211.14803	5.0
213.12704	1.5
213.16374	3.3
215.17976	1.3
221.13205	0.5
222.14001	0.7
223.14754	2.4
225.16399	6.1
227.14296	0.6
227.17982	3.0
229.15863	0.6
230.68474	0.5
236.15503	1.0
239.17963	1.0
241.15829	0.7
241.19504	8.9
245.18901	0.8
251.17964	18.7
253.19643	0.8
259.20490	2.4
269.14185	0.8
269.19009	32.2
270.19443	0.6
271.20602	1.3
271.24042	0.6
281.22662	4.9
287.05371	1.2
287.20059	36.0
288.20230	0.6
299.23676	5.6
305.21103	100.0
306.21408	2.2
317.24890	2.5
377.28687	0.5
395.29501	1.9
413.30582	2.1
431.31522	1.9
449.32623	90.6
450.32974	1.9
452.36392	0.5
575.35828	1.8
605.55182	0.5
611.37872	15.4
612.38239	0.5
625.44775	0.5
631.21405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Cyanin
Peak:m/z	Relative Intensity
55.01859	0.5
57.03436	1.0
61.02918	1.4
64.63048	0.4
68.99784	0.8
69.03430	4.5
69.22807	1.2
69.23215	3.4
71.04989	0.5
71.61296	0.4
72.04710	0.4
73.52494	0.5
76.22656	0.4
81.03404	1.2
85.02911	17.7
86.67263	0.5
97.02891	4.9
107.04942	0.5
108.86251	0.4
109.02882	1.6
111.00820	0.7
115.90181	0.4
121.02889	2.7
127.03914	3.2
133.02965	0.4
137.02327	0.8
141.48894	0.4
145.04965	3.4
147.04422	0.5
153.01842	4.4
157.06491	0.6
165.01855	1.5
183.02879	0.7
213.05495	1.6
231.06494	0.7
241.04961	1.2
258.05264	1.3
287.05511	100.0
288.05862	2.0
329.06509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
54.95422	0.3
57.03439	0.5
61.02921	1.3
69.03436	3.0
70.06564	0.6
70.84441	0.8
72.06747	0.3
81.03403	1.5
85.02906	9.0
86.09659	0.4
87.04454	0.3
91.03967	0.4
91.36514	0.3
97.02892	2.4
99.04434	0.6
107.04929	0.3
109.02892	0.8
111.00790	0.3
121.02879	1.9
127.03947	1.5
131.36154	0.3
133.02818	0.4
137.02324	0.8
145.04994	1.9
147.04425	0.5
153.01833	3.4
165.01813	1.8
183.02969	0.9
185.05995	0.4
209.19672	0.3
213.05536	1.5
231.06621	0.8
241.04965	0.7
246.52652	0.3
258.05222	0.8
269.04556	0.6
287.05505	100.0
288.05685	1.6
348.71054	0.4
371.72864	0.3
449.10797	13.3
450.11197	0.5
603.80524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.32370	0.1
50.37373	0.1
52.19585	0.1
53.03947	0.2
55.01859	0.3
57.03439	0.5
61.02925	0.8
64.04951	0.1
65.03945	0.1
68.54532	0.1
68.99800	0.4
69.03084	0.1
69.03433	2.1
69.03799	0.1
69.42909	0.7
70.06587	0.3
71.04990	0.3
71.24206	0.1
72.08157	0.2
73.02901	0.3
76.75061	0.1
81.03427	0.8
81.39550	0.1
83.01332	0.1
84.08139	0.2
85.02911	5.5
86.09689	0.1
87.04479	0.2
91.03950	0.2
97.02901	2.1
98.20715	0.2
99.04458	0.3
99.94733	0.1
105.03418	0.2
107.04957	0.3
109.02881	0.8
111.00803	0.7
115.05502	0.1
120.08068	0.1
121.02871	2.3
127.03925	1.1
129.06995	0.1
133.02847	0.4
135.04460	0.2
136.07594	0.1
137.02371	0.8
145.04956	1.0
145.06483	0.2
147.04413	0.4
153.01837	2.9
157.06476	0.4
165.01859	1.6
171.04391	0.2
183.02885	0.6
185.06012	0.4
189.05447	0.2
197.06079	0.2
203.03503	0.1
203.07101	0.2
213.05455	1.1
231.06456	0.7
241.04939	0.8
254.62630	0.1
258.05267	0.8
259.05997	0.3
269.04276	0.1
287.05505	100.0
288.05869	1.6
299.05475	0.3
311.05521	0.1
329.06622	0.7
353.06299	0.2
384.60464	0.1
413.08539	0.1
445.46399	0.1
449.10797	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	611.1603
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.58216	0.5
57.03446	0.7
61.02924	0.9
69.03425	2.2
69.50443	2.8
69.50847	0.9
81.03431	1.2
85.02905	10.4
97.02882	3.5
99.04436	0.7
101.64392	0.5
109.02894	1.3
110.09727	0.5
111.00839	0.6
121.02872	1.9
126.81536	0.5
127.03919	1.7
137.02309	0.8
145.05009	2.6
147.04381	0.6
153.01839	3.3
165.01859	1.4
182.97343	0.5
183.02931	1.0
213.05418	0.7
215.48439	0.5
223.96921	0.5
241.04765	0.6
255.45697	0.5
258.05225	0.9
266.10010	0.5
287.05502	100.0
288.05869	1.9
329.06650	1.6
350.36118	0.6
355.68951	0.6
566.36206	0.6
620.26892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.5
55.01871	5.4
55.05513	19.7
57.03436	8.8
65.03948	6.5
65.74327	1.8
67.05511	68.9
69.07074	22.9
71.05025	4.7
74.00147	1.8
79.05057	4.2
79.05499	61.8
81.03412	3.2
81.07063	73.4
83.04988	6.3
83.08625	7.4
85.06567	4.5
87.99227	1.8
91.05478	61.9
91.06008	3.5
93.07050	73.2
95.01366	2.1
95.04994	14.3
95.08045	3.9
95.08611	47.1
97.06528	10.7
97.10165	2.5
103.05463	2.0
105.04518	2.0
105.07034	59.3
107.04980	5.7
107.08595	31.0
109.06517	13.9
109.10173	14.2
109.10803	2.0
111.08110	2.4
115.05453	2.9
117.07026	24.0
117.20866	1.9
119.08585	41.5
121.06522	2.2
121.10146	24.8
123.08070	3.8
123.11714	3.1
125.09672	2.3
128.06247	2.8
129.07045	5.9
131.08583	32.5
133.10126	31.9
135.08083	4.1
135.11674	17.1
137.09599	6.6
143.08569	8.7
144.09445	1.9
145.10129	31.2
147.11699	14.3
149.09631	5.6
149.13313	7.8
155.08617	4.8
157.10159	7.5
159.11696	17.2
161.09558	2.7
161.13286	7.2
163.14861	2.5
169.10167	3.7
171.11765	5.4
173.13306	8.8
175.14839	2.7
179.08372	2.0
179.14348	6.6
183.11774	6.2
185.13280	6.0
187.14842	3.0
195.11792	2.6
197.13271	2.9
201.16519	2.9
203.14259	3.7
211.14751	2.8
219.17461	76.5
229.19527	3.2
239.18005	3.0
247.20555	3.1
257.18945	12.2
261.22195	3.9
275.20078	60.8
293.21143	4.7
307.24411	1.9
330.97073	2.1
331.22891	3.3
335.25916	6.7
349.23764	2.5
355.06781	2.0
433.74347	2.2
458.10275	2.1
535.41388	2.5
557.25305	2.4
591.43921	2.5
609.37659	3.6
609.45184	100.0
610.45685	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	610.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01872	1.7
55.05264	0.7
55.05514	10.1
56.04415	0.4
56.05050	0.4
57.03442	8.5
59.05013	0.7
59.44615	0.5
61.02937	3.8
65.66952	0.5
69.03433	9.4
70.06600	2.3
70.74163	1.3
71.01367	0.6
71.04996	34.9
72.08158	1.5
73.02914	2.1
75.04488	5.3
81.03428	5.5
83.04986	74.5
84.04551	0.6
84.08145	1.3
85.02909	100.0
86.09708	2.0
87.04507	2.7
91.03967	1.5
95.04980	1.2
97.02899	17.6
99.04454	4.2
101.02370	1.1
101.06034	2.1
102.05552	0.6
103.03939	1.6
104.08032	0.5
105.07053	1.7
107.04948	0.6
108.39886	0.5
109.02885	4.8
111.04447	40.1
127.03918	15.3
128.07079	0.7
129.05484	42.6
136.07573	0.9
145.04970	14.1
146.08131	1.3
147.06528	23.0
149.05971	0.6
151.03906	0.5
153.05533	0.8
163.06032	3.6
165.07631	1.1
171.06517	0.6
173.04362	0.6
177.05487	0.6
179.04907	0.6
194.88054	0.5
195.06451	0.6
206.86391	0.4
207.06511	0.7
209.08008	0.7
215.10730	0.8
225.07643	0.8
237.07596	8.9
255.08659	11.8
255.11240	1.0
258.34967	0.5
269.14035	0.7
273.09698	13.3
285.13443	0.7
287.05505	2.0
297.36938	0.6
304.05353	0.5
309.11865	6.2
326.14816	0.6
409.37326	0.5
412.00626	0.6
418.32852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03950	2.8
53.12021	1.3
55.01884	1.5
55.05524	14.8
57.03452	3.5
58.64582	1.3
67.05511	27.8
69.07079	15.4
69.37636	12.9
79.05508	18.9
81.07069	30.6
83.08639	5.2
85.06558	2.3
91.05491	14.9
93.07052	19.6
95.04989	2.2
95.08624	19.0
97.06542	2.6
97.10204	3.5
105.07056	17.8
107.08607	10.7
109.10158	9.7
117.07032	8.7
117.27013	1.6
119.08589	16.3
121.10145	8.9
123.11711	2.6
128.06274	4.6
129.07007	10.3
131.08585	11.9
133.10149	10.1
135.11748	4.6
141.07043	6.8
142.07785	3.1
143.08583	14.0
145.10159	15.9
147.11732	5.5
149.13293	2.0
155.08589	12.8
156.09352	2.2
157.10150	14.9
159.11739	10.6
161.13281	3.8
163.14862	2.7
164.06496	1.6
165.07118	1.7
167.08635	5.1
168.09409	2.8
169.10155	15.9
171.11736	12.3
173.13303	5.1
175.14801	2.4
179.08620	2.9
180.09251	1.5
181.10158	9.7
183.11719	14.4
185.13312	7.3
187.14894	3.2
193.10141	2.4
195.11668	7.6
197.13232	10.2
199.14838	6.5
201.16528	1.8
207.11749	3.9
209.13268	11.4
211.14885	7.7
213.16457	5.3
221.13342	5.0
223.14874	6.5
225.16446	3.4
227.18045	3.6
235.15019	2.8
237.16457	4.9
239.17996	4.1
241.19577	2.3
253.19684	1.7
265.19852	2.7
299.23999	1.8
301.13638	1.7
323.61734	1.7
337.25491	2.5
362.49063	1.5
375.26721	1.9
437.34207	1.8
447.33432	1.6
499.39328	2.6
517.40613	17.5
535.41968	8.1
539.37848	2.8
553.40826	1.4
573.42889	1.9
591.44110	16.5
609.45215	100.0
610.45209	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	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02372	0.7
53.03946	1.1
54.62873	0.7
54.69408	0.6
55.01860	2.1
55.04782	0.6
55.05268	0.8
55.05519	12.8
55.65281	0.6
57.03431	3.0
57.07076	1.4
65.03957	0.7
67.05510	23.2
69.07074	12.3
71.05009	1.3
71.29237	1.2
72.08508	0.7
79.05504	16.5
81.06579	1.3
81.07063	24.0
83.04993	1.5
83.08631	6.7
85.06532	1.2
91.05476	15.7
93.07056	16.8
95.04962	2.0
95.08616	18.6
97.06529	2.1
97.10181	3.4
103.12725	0.6
105.04501	1.1
105.07042	15.4
107.08602	11.6
109.06490	1.4
109.10178	9.4
111.08083	1.2
115.05475	1.1
117.07039	8.2
119.08593	14.5
121.10157	7.6
123.08076	1.6
123.11753	2.0
125.09682	1.2
128.06252	2.9
129.07024	10.7
130.07854	1.1
131.08580	13.8
133.09241	0.9
133.10149	9.8
135.11737	4.4
137.13281	0.8
141.07001	6.2
142.07797	2.5
143.08580	13.4
144.09381	0.8
145.10135	14.2
147.11705	5.9
149.09650	1.1
149.13304	2.4
153.06993	1.4
154.07806	1.9
155.08556	11.4
156.09387	1.8
157.10143	13.3
159.11705	9.5
161.13251	3.7
163.14862	1.4
165.07098	0.7
166.07806	0.8
167.08563	4.9
168.09348	1.8
169.10143	12.9
171.11707	10.7
173.13306	5.2
175.14845	2.4
177.16473	0.7
179.08684	1.9
180.09311	1.1
181.10153	8.8
182.10910	1.6
183.11722	13.8
184.12515	1.0
185.13263	8.6
187.14809	4.5
189.16353	1.5
192.09302	0.7
193.10150	3.5
194.10963	0.9
195.11713	8.5
196.12486	0.9
197.13286	9.3
199.14882	5.1
201.16464	1.6
207.11755	3.9
209.13286	8.6
210.14157	0.7
211.14822	7.4
213.16417	4.6
215.18008	0.8
219.11745	1.3
221.13315	2.9
223.14803	5.7
223.16304	0.5
225.16396	4.7
227.18185	3.0
229.19597	0.8
233.13284	0.7
235.14883	2.1
237.16391	4.1
239.18089	3.6
241.17793	1.2
241.19901	0.9
247.14893	1.1
249.16386	1.1
251.17979	2.9
253.19603	1.6
255.21252	0.9
257.19083	1.8
261.16339	1.1
263.18066	1.0
265.19611	1.5
269.19046	0.7
275.20297	1.7
277.19739	0.9
279.21152	1.4
283.20691	1.1
285.22208	0.6
295.20630	0.7
299.20206	0.9
309.22156	1.4
311.23773	1.4
321.22238	1.9
323.23853	1.7
325.25473	1.1
335.23590	1.2
337.25217	1.0
339.27109	0.8
351.26920	2.0
361.25357	1.0
363.26834	0.9
365.28610	1.8
367.25952	0.8
377.28473	1.0
379.30127	1.3
381.27771	0.8
391.30246	1.1
393.31870	1.2
395.29272	0.8
419.33386	1.0
421.31140	0.9
447.32510	2.0
461.33765	1.2
464.09467	0.8
475.34583	0.9
517.40540	11.5
521.36273	0.9
525.35681	1.3
535.41815	5.4
539.37555	1.7
553.41980	0.8
555.42041	0.8
573.43433	1.9
591.44122	13.4
591.53723	0.8
609.45160	100.0
610.45532	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	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05493	1.9
56.53715	0.6
57.07052	0.7
66.31061	0.6
67.05511	4.2
69.07069	2.2
71.55540	1.0
79.05502	4.3
81.07066	5.0
91.05481	4.7
93.07031	4.8
95.04948	1.0
95.08642	3.4
97.64072	0.7
105.07047	4.4
107.05000	0.8
107.08606	3.0
109.10178	1.4
117.07012	2.2
119.08587	3.0
121.10139	2.4
129.07063	0.8
131.08591	2.5
133.10135	1.9
137.06073	0.7
141.06956	1.0
141.85542	0.6
143.08563	1.6
145.10161	2.5
147.11729	1.9
149.09692	0.6
155.08545	0.8
157.10179	1.1
159.11720	1.8
171.11746	1.2
173.13179	0.7
183.11717	1.2
185.13239	0.8
209.13316	0.7
227.35112	0.6
243.91197	0.7
257.19040	1.0
275.20065	3.2
331.22964	0.9
335.25952	0.7
376.16681	0.7
377.17618	2.1
379.19067	1.5
390.18515	1.0
391.19412	3.1
392.20026	2.3
393.20816	1.8
405.16422	3.6
405.21634	1.0
406.17380	1.2
407.22568	4.8
418.17694	1.2
419.18329	6.3
420.19412	2.5
421.20148	1.9
432.19547	1.0
433.21115	5.5
434.21323	4.6
435.21851	11.9
436.22562	0.8
447.17291	3.8
448.18561	1.1
449.20020	1.8
461.18918	3.1
462.20270	7.8
463.21320	7.8
475.21371	2.6
476.21829	1.3
489.22763	1.7
507.19785	0.9
517.22009	0.8
521.25690	8.2
549.25000	29.1
550.25134	0.9
577.24933	1.2
581.27710	1.9
591.43744	0.8
609.27094	100.0
609.45148	9.4
610.27588	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	609.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03942	1.1
55.01862	2.5
55.05498	2.8
55.05745	0.6
56.05032	0.8
57.03427	2.4
59.05005	0.7
61.01155	1.4
61.02909	2.3
65.03934	0.7
67.05511	3.3
69.03435	8.4
69.07073	21.3
69.44209	1.5
69.44627	3.1
70.06255	0.9
70.06600	13.8
71.04982	1.3
71.06916	1.1
72.08147	2.2
73.01129	2.1
73.06544	2.8
75.31590	0.6
79.05493	4.7
81.03425	4.1
81.07067	10.6
83.04968	0.8
84.04490	2.3
84.08138	6.9
85.02431	1.1
85.02912	18.3
86.09710	6.2
87.04448	0.9
88.26463	0.6
91.05473	5.3
93.07060	6.1
94.46689	0.7
95.05001	4.7
95.08619	6.0
95.13531	0.7
97.02912	6.0
97.06533	4.6
99.04452	1.8
102.05550	0.8
105.03746	1.6
105.07038	8.6
107.04978	0.9
107.08608	5.1
109.02882	2.5
109.06525	22.1
109.10162	2.6
110.07158	1.5
115.03922	1.1
115.06797	0.8
115.07581	11.2
117.07022	2.6
117.94230	0.7
118.06889	3.4
119.04928	2.2
119.07308	0.7
119.08595	6.9
120.06471	1.6
120.08044	0.8
121.06518	1.5
121.10162	4.2
123.08057	1.5
123.11706	0.9
125.09612	1.3
127.03944	3.2
127.08691	0.7
127.11243	0.9
128.06178	1.4
129.06996	2.4
129.10245	2.7
130.04936	0.8
131.08580	6.5
133.10153	5.9
135.08061	1.0
135.11710	1.1
137.05988	12.7
137.09608	1.3
141.07001	1.9
143.08577	11.7
145.04935	2.3
145.10129	10.5
147.08047	2.0
147.11690	5.2
149.09631	1.4
149.13264	4.6
155.07030	16.5
155.08516	3.9
157.10167	4.5
159.07982	1.2
159.09164	1.5
159.11696	5.2
161.09634	1.8
161.13248	15.4
163.11215	0.8
167.08556	1.7
167.10675	6.9
169.10139	4.1
171.08118	1.2
171.11705	4.0
172.12463	1.0
173.09624	2.9
173.13330	3.2
175.11235	0.9
178.07733	0.9
179.05635	1.3
181.10109	1.6
183.11710	5.4
183.14978	0.9
185.09595	0.7
185.13246	4.8
185.22276	0.7
187.11079	1.1
187.14813	2.7
193.10117	2.8
194.10855	1.2
195.11684	1.7
197.13286	3.2
199.11147	0.8
199.14816	4.3
201.12700	0.7
201.16408	1.8
207.11716	2.1
209.13297	2.0
210.14088	0.9
211.11185	1.0
211.14771	3.0
213.16341	1.8
215.14445	0.7
215.17967	0.9
220.12546	0.8
221.13226	1.1
223.14819	3.2
225.12886	0.8
225.16377	2.8
226.17104	0.8
227.14285	0.8
229.15971	1.6
239.17932	6.5
241.15936	1.7
249.16423	8.4
257.19077	2.1
267.17450	16.4
269.19153	1.1
279.20996	0.9
285.15369	1.3
285.18518	21.1
287.05478	6.7
288.05798	5.5
289.06061	4.1
297.22269	1.4
303.19562	100.0
304.19873	2.0
315.23367	1.1
333.24094	0.8
393.27963	1.0
411.28909	2.4
429.30121	3.2
447.31070	43.5
448.31387	1.4
596.59644	0.7
609.19659	1.7
609.36230	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	608.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.0
55.05520	1.5
56.05020	2.6
58.06596	9.6
58.99591	8.9
65.03941	2.4
67.05499	2.2
68.05046	2.4
70.06598	10.6
71.14771	2.9
72.08141	4.6
73.01151	14.4
74.02425	4.8
76.02228	12.7
81.07072	2.3
82.06548	2.7
84.04509	100.0
84.08146	5.3
86.09692	4.1
86.99075	2.1
88.30766	1.6
96.08132	17.1
99.02678	47.6
99.03322	2.5
101.04257	6.5
104.98323	3.8
109.89201	1.7
112.03971	26.7
115.05832	1.7
116.01705	13.6
116.05325	66.5
116.07062	13.4
124.07603	16.3
126.09110	4.1
127.02150	1.7
129.06599	1.8
130.04997	9.6
142.03238	8.7
142.04808	1.6
142.08656	13.8
144.01186	5.2
144.04781	2.7
150.53419	1.6
151.97105	1.6
160.00606	3.4
162.02213	9.5
168.98058	1.8
170.02704	2.6
170.08141	81.9
177.03279	2.6
179.04875	25.3
202.05342	52.3
219.07999	76.7
229.06398	2.3
245.05881	4.9
245.09589	7.9
253.63240	1.7
273.09055	13.7
291.06354	5.1
330.11172	5.0
348.12253	97.3
349.12271	2.3
581.99939	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12585	2.1
53.66653	1.8
55.01859	7.8
55.35542	2.0
55.48302	1.9
56.05037	3.8
58.06587	9.5
58.99573	7.8
64.72059	2.1
65.03950	2.2
68.05019	2.5
70.05918	9.8
70.06591	15.3
72.08123	2.2
73.01134	12.9
74.02428	5.1
76.02232	15.7
76.03992	2.5
79.14793	1.8
81.07079	2.4
82.06583	2.2
82.22768	1.9
83.07350	2.7
84.04508	100.0
84.08149	3.7
86.09746	4.7
96.08122	20.0
98.21497	3.1
99.02686	45.8
101.04285	4.8
104.98300	4.0
110.93949	2.3
112.03984	23.8
116.01669	13.4
116.04552	4.1
116.05319	54.8
116.06152	2.7
116.07063	17.2
124.07600	18.7
126.09145	2.8
127.02103	2.1
129.06599	2.5
130.05000	11.6
130.05814	2.0
142.03224	9.5
142.08612	13.7
144.01155	4.9
151.33696	1.9
160.00667	2.9
162.02197	5.7
170.02824	2.6
170.08130	83.1
176.77899	2.0
177.03339	3.1
179.04860	28.8
182.06314	4.9
202.05325	51.7
219.07983	82.5
227.08543	2.1
229.06497	4.2
245.05843	4.0
245.09607	5.7
273.09036	16.6
291.06412	4.6
330.11215	4.6
348.12259	98.9
439.94208	2.2
607.67590	2.6
608.01373	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	608.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01875	7.8
55.02099	1.6
55.05510	3.2
56.05026	5.8
57.03441	1.4
58.06602	12.9
58.99580	8.6
59.04999	1.7
61.01145	2.2
67.05531	1.9
68.05032	3.4
69.03430	4.0
69.07051	2.5
70.06599	22.0
70.94997	2.9
71.05003	5.9
72.08150	3.6
73.01147	25.5
74.00648	3.2
74.02445	5.7
76.02233	12.8
76.03976	1.7
80.05003	1.4
81.03397	1.6
82.06570	3.6
83.04640	1.0
83.04997	11.1
83.06133	1.7
84.04510	100.0
84.08146	5.7
85.02913	16.5
85.04026	2.0
86.09737	7.5
86.99061	2.6
90.26947	1.2
96.08134	23.2
97.02899	4.4
98.09716	1.3
99.02689	45.4
99.04446	1.5
100.36048	1.2
101.04226	4.4
101.07119	1.9
102.03811	1.3
104.98328	4.3
105.03717	7.5
107.04932	2.1
109.02868	2.7
110.07137	2.0
110.93945	2.4
111.04435	5.2
112.03979	25.8
115.05804	2.2
116.01685	15.7
116.05328	57.5
116.07082	17.7
120.08112	4.2
121.01417	4.1
121.06512	3.4
124.07596	18.7
126.03769	2.7
126.09165	3.4
127.02107	2.2
127.03918	5.4
129.05486	6.2
129.06522	2.1
129.10245	1.9
130.05038	13.2
142.03226	9.2
142.08635	14.1
144.01137	4.5
144.04796	2.8
147.06517	2.8
149.42253	1.1
156.04706	1.6
159.09167	1.7
160.00621	3.8
162.02231	10.2
168.98047	1.4
169.13466	1.2
170.02742	3.0
170.08136	92.7
177.03296	5.0
179.04744	21.2
182.06398	4.5
183.05923	1.3
184.16644	1.2
202.05342	52.7
211.02031	2.3
219.08006	76.9
227.08434	1.5
245.05916	5.2
245.09595	6.5
251.05157	2.6
255.08376	1.8
273.09036	15.7
291.06430	4.8
305.06250	1.4
330.11243	3.7
336.06564	1.3
339.70386	1.2
345.11349	1.4
348.12271	90.7
380.09427	4.2
433.54883	1.2
607.67480	1.4
608.01495	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	607.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30572	0.4
59.98594	0.4
70.16367	0.7
70.16760	1.4
86.03677	0.4
98.10852	0.4
103.82550	0.4
306.31247	0.4
388.17285	1.1
389.17587	1.3
390.18546	0.8
401.17761	0.7
402.18442	1.2
403.19421	3.7
404.20068	1.3
405.20712	1.1
415.19458	0.9
416.20554	0.9
417.16321	1.0
417.21393	4.0
418.21667	3.0
419.22357	4.2
430.17386	0.8
431.18127	8.3
431.23581	0.9
432.19333	1.6
432.24039	0.7
433.19049	0.7
433.24081	9.5
434.25000	0.8
444.18747	0.6
445.19760	9.1
446.20853	4.2
447.21899	4.0
457.20297	0.5
459.21225	4.4
460.22516	13.5
461.23373	15.0
461.29590	0.8
473.23605	4.1
474.24106	1.3
487.25046	2.3
491.24600	0.5
505.22632	1.9
506.26758	0.5
515.24371	0.5
519.24396	2.0
519.26892	2.0
532.24847	1.1
533.25549	0.7
547.27069	47.2
548.27484	2.0
575.26593	1.3
579.29321	0.9
607.29150	100.0
608.29572	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	607.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31212	1.2
53.03933	1.9
55.01871	6.0
55.05528	6.5
57.07077	12.5
59.31763	1.1
64.17422	1.1
66.76141	1.4
67.05503	9.7
69.00578	1.1
69.07071	7.3
69.92892	1.6
71.08629	8.4
71.55960	1.1
79.05489	6.8
81.07062	32.1
83.04980	3.1
83.08620	5.3
85.10184	4.7
91.05493	2.4
93.07049	4.6
95.08617	14.3
105.07034	2.8
107.08588	4.9
109.06528	12.8
109.10159	5.0
111.04467	15.4
119.08562	5.5
121.10138	5.6
123.08102	1.5
123.11657	2.0
124.27012	1.1
125.05974	4.2
131.08496	1.5
133.10152	3.4
135.08037	2.3
135.11681	3.4
137.05986	100.0
137.13257	2.9
143.08565	2.2
145.10141	1.6
147.11703	5.7
149.09613	4.8
151.07542	2.6
154.02803	1.1
157.10091	1.7
159.11734	1.3
161.09625	6.1
161.13197	2.1
163.11176	2.2
165.09122	1.9
171.11644	1.4
175.11154	3.6
175.14911	1.5
193.12196	1.6
203.17920	7.6
213.16373	2.5
221.19038	2.5
231.17429	9.6
240.28500	1.5
248.61563	1.4
249.18484	11.6
277.18005	64.5
284.76062	1.2
288.66461	1.2
291.73450	1.3
295.19003	14.9
307.02960	1.2
311.26630	1.3
313.23645	1.5
313.27359	27.6
327.07687	1.4
346.91635	1.4
351.21741	9.2
406.99619	1.3
433.24051	1.3
434.07776	1.4
461.23544	1.6
547.27368	3.0
589.44843	17.5
607.29163	10.8
607.45447	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	608.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05564	3.8
55.01861	8.9
56.05027	7.9
58.06582	15.9
58.99588	9.5
67.05504	9.7
69.03426	4.8
69.07056	5.7
70.06599	29.0
71.56064	5.8
72.08133	5.7
73.01141	9.8
74.00660	9.0
74.02444	6.9
75.02689	5.8
76.02216	17.1
79.05501	6.0
83.06062	4.8
84.04512	89.6
84.08159	7.5
86.09692	13.1
86.99032	4.6
96.08128	11.0
98.06049	17.5
99.02682	39.3
100.03467	4.7
100.07610	4.5
104.98293	5.0
109.14642	3.9
110.07173	5.6
112.03967	15.8
112.52953	4.0
113.04238	29.0
116.01656	14.3
116.05314	72.0
116.07078	13.9
118.06901	4.3
124.07587	9.6
126.05513	26.7
130.05014	33.3
130.78680	4.4
141.06616	6.3
142.03212	4.8
142.08710	5.8
144.01219	5.7
145.06134	6.2
145.93021	4.4
146.06821	6.1
156.06590	5.8
160.30786	3.7
162.02199	9.3
162.83324	3.9
170.08133	37.8
173.09198	28.5
177.03271	7.4
179.04857	21.4
199.07158	5.8
201.08717	10.8
202.05342	47.4
219.07980	100.0
245.09520	5.8
250.95624	4.2
251.05103	8.3
257.09775	5.1
273.08975	10.0
275.11133	16.9
284.03235	16.5
306.07431	4.2
307.10248	6.1
308.09393	5.5
338.04001	7.0
339.05270	9.8
348.12198	49.8
413.07416	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
50.83592	0.9
53.03951	0.9
55.05505	1.6
57.03414	1.0
67.05510	2.8
69.07081	1.1
70.91847	2.2
78.42102	1.2
79.05500	2.8
81.07066	2.8
91.05476	3.8
93.07060	2.2
95.08604	1.9
105.07027	2.2
107.08595	1.1
109.10069	1.0
119.08603	2.0
131.08629	3.1
133.10167	2.7
145.10126	1.5
219.17516	2.0
275.20096	1.4
330.34409	1.3
367.82385	1.0
375.16202	1.8
388.16962	2.2
389.17642	3.9
390.18335	2.3
402.19022	1.6
403.19812	5.9
404.20099	4.2
405.20798	4.4
415.19501	1.6
417.17130	5.4
417.21323	3.7
419.22601	8.4
420.22888	1.4
431.18320	11.8
432.19510	2.8
433.20306	2.8
445.20059	7.0
446.20892	7.8
447.21625	11.5
459.22342	1.7
463.25171	1.4
473.23822	1.6
474.20474	13.0
475.21378	15.1
487.21268	2.4
490.23492	1.7
501.22665	1.5
506.23276	1.3
519.24072	13.4
540.26392	1.0
547.23419	78.2
548.23511	2.0
561.24481	1.8
579.26129	4.3
589.24561	1.9
607.25543	100.0
607.42218	2.9
608.26147	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	607.2916
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
71.05167	0.3
209.10771	0.2
224.12888	0.2
235.12257	0.2
247.12320	0.2
249.13753	0.1
286.13339	0.2
309.12808	0.2
310.13531	0.2
314.16553	0.2
324.14841	0.3
338.16583	0.2
387.16232	0.6
388.16806	0.4
389.17508	1.3
390.18674	0.4
391.19260	0.2
401.17856	0.8
402.18454	1.1
403.19174	3.5
403.24298	0.2
404.19974	1.3
405.20703	1.6
406.21405	0.2
415.19290	0.6
416.15549	0.3
416.20715	1.2
417.16571	1.0
417.21362	3.8
418.21725	2.3
419.22421	3.7
420.22906	0.3
421.23816	0.2
429.16547	0.2
429.21457	0.3
430.17773	1.0
430.21976	0.6
431.18173	8.0
432.18591	1.9
432.24115	0.5
433.24139	8.4
434.24707	1.4
443.18192	0.3
444.19034	0.4
444.23972	0.3
445.19888	10.2
446.20734	4.6
447.21695	4.7
449.23404	0.3
457.19977	0.3
458.20947	0.3
459.21527	4.5
460.22534	11.6
461.23358	11.8
462.24020	0.5
463.21249	0.2
473.23682	3.5
474.24344	1.2
476.22025	0.2
477.22748	0.8
487.25055	1.9
488.25482	0.5
489.22897	0.5
491.24231	0.6
492.25201	0.7
503.20459	0.4
504.25021	0.3
505.21875	3.4
506.26761	0.4
515.24371	0.7
517.22882	0.2
518.23346	0.4
519.24176	1.6
519.26837	1.3
532.24414	0.9
533.25446	0.5
546.21680	0.2
547.27051	29.1
548.27429	1.2
563.23486	0.2
564.27637	0.2
565.29114	0.2
575.26251	0.9
577.24579	0.2
578.25128	0.3
579.29596	0.6
607.29138	100.0
608.29370	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	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.43015	0.1
67.05503	0.2
67.09328	0.2
68.30219	0.1
71.56512	0.2
79.05479	0.3
81.07069	0.2
93.07038	0.2
119.08608	0.2
133.10216	0.2
146.06006	0.2
172.04022	0.2
195.09203	0.2
196.10004	0.2
209.10738	0.4
223.12386	0.3
233.10843	0.2
235.12334	0.2
251.11963	0.2
272.12057	0.2
300.15018	0.2
324.15030	0.2
338.16687	0.2
352.14288	0.2
361.15198	0.2
373.14938	0.4
374.15509	0.5
375.15817	0.7
376.17285	0.4
387.16028	0.7
388.16867	1.2
389.17670	2.7
390.18433	1.2
391.19363	1.2
392.19965	0.2
400.17212	0.2
401.18036	1.0
402.14203	0.3
402.19073	1.1
403.19556	4.3
404.15567	0.2
404.20142	2.1
405.20782	3.5
406.20969	0.2
407.22604	0.3
415.14978	0.3
415.19284	0.5
416.15701	1.2
416.20956	0.3
417.16144	4.0
417.21152	2.2
418.17722	1.3
418.21732	1.1
419.22446	6.1
420.23248	1.3
429.16525	0.3
430.17206	1.0
431.18304	8.0
432.19113	3.9
433.20111	3.7
435.21774	0.3
441.17221	0.3
443.18790	0.3
444.19440	0.3
445.20166	5.5
446.20987	8.6
447.21796	8.5
448.22946	0.7
449.19891	0.3
457.20270	0.3
458.20953	0.2
459.17560	0.7
459.22003	1.5
460.18875	1.1
460.23666	0.3
461.19189	1.7
462.24301	0.6
463.20477	0.3
463.25320	0.5
473.19485	0.8
473.23904	0.6
474.20413	5.1
475.21069	5.0
476.21957	0.6
477.23581	0.9
478.23380	0.6
486.20416	0.2
487.21561	1.4
488.21970	0.5
490.23474	0.6
491.19971	3.3
501.22922	1.3
503.25058	0.3
504.21548	0.6
505.22067	0.7
506.22897	0.6
518.23969	0.3
519.24103	15.2
520.24268	0.5
529.22388	0.4
532.21112	0.4
536.24170	0.2
547.23389	13.1
548.23883	1.3
549.21667	0.3
551.26678	0.5
561.25098	0.3
563.24597	0.2
579.26013	5.8
589.24768	0.3
607.25494	100.0
608.25793	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	606.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01859	1.8
55.05510	9.5
56.05017	0.8
57.03440	9.7
57.07066	3.3
61.02928	4.2
61.03172	0.7
63.04498	4.2
69.03429	12.1
70.06589	2.9
70.54284	1.4
71.04594	1.7
71.04993	33.4
72.08146	1.1
73.02921	3.0
75.04484	5.4
81.03436	4.7
83.04982	83.7
84.08175	1.6
85.02906	100.0
86.09718	2.7
87.04475	3.3
91.03947	2.1
95.04967	1.1
97.02895	18.8
98.20781	1.0
99.04448	4.7
101.06041	2.1
103.03954	1.6
106.27427	0.8
109.02882	4.5
110.07180	1.0
111.04446	48.9
119.10699	21.7
120.08135	1.1
121.06512	0.9
123.04409	0.8
127.03912	15.5
129.05482	46.5
129.10312	1.3
145.04959	11.4
146.08096	2.0
147.06522	22.8
153.05412	0.8
163.06058	2.6
174.05893	0.8
207.06578	1.2
229.14313	1.2
237.07629	9.6
255.08673	11.5
265.16537	7.1
273.09702	11.8
277.03812	0.8
281.16153	1.2
305.17160	0.8
309.11829	5.8
360.12302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86482	1.2
56.05027	1.3
58.06600	1.7
58.53904	1.0
58.99576	3.4
65.13628	1.2
69.63786	6.5
73.01151	100.0
75.02711	2.2
76.02229	3.8
81.07073	2.2
84.04510	17.1
84.08099	1.2
96.08145	4.6
99.02710	8.0
106.76170	1.2
106.99879	4.4
112.03962	4.5
115.05799	1.5
116.01680	2.6
116.05330	11.3
116.07086	4.0
117.07372	5.1
124.07618	2.7
130.05029	2.4
142.08636	1.4
145.89206	1.0
149.04559	65.9
149.96448	1.2
162.02228	1.8
170.08121	14.2
179.04865	7.0
197.42679	1.1
198.78590	1.3
202.05331	9.4
219.07979	16.1
220.08299	1.1
223.06450	22.6
236.32048	1.1
245.05807	1.1
273.09003	3.7
291.06451	1.4
308.09180	1.6
348.12201	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	606.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66187	0.5
56.05011	0.4
56.20238	0.4
57.07069	2.1
62.06081	0.7
65.26334	0.5
69.03431	2.6
69.07061	0.6
70.06594	10.8
71.08633	2.6
71.55877	0.6
72.08176	2.6
73.01157	0.5
74.06075	0.8
84.04493	1.4
84.08141	2.8
85.02889	1.6
86.09702	2.9
88.07634	10.2
97.02885	2.2
102.05573	0.7
102.09198	3.2
106.08676	4.9
115.03916	1.1
120.08099	0.8
129.10199	1.5
136.07549	0.7
148.09203	0.5
174.18513	1.1
200.20078	5.1
218.21159	100.0
219.21439	1.1
287.05508	22.2
346.21558	0.5
354.82700	0.6
433.11310	0.8
450.96454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	21.3
53.44656	1.7
55.01866	5.2
55.05503	10.3
57.03442	3.8
57.07076	3.0
61.02911	5.3
67.05507	14.9
68.99783	3.3
69.03432	26.4
69.07069	12.1
69.48711	5.1
69.49126	9.0
70.06590	7.5
71.04981	6.9
73.02902	4.7
76.14835	1.9
81.02975	3.1
81.03423	38.2
81.07055	18.4
83.04979	13.2
83.08607	5.5
84.04490	2.9
85.02430	3.2
85.02907	47.1
85.06524	4.4
86.09686	3.9
87.00835	32.0
91.05461	5.5
93.07043	7.3
95.05003	2.9
95.08616	30.5
97.02894	50.8
97.10162	2.0
99.04459	26.0
99.08070	2.5
103.03949	6.6
105.01868	20.5
105.07037	6.0
106.40160	1.9
107.08604	16.7
109.02888	93.5
109.06506	7.3
109.10159	95.7
111.08096	4.1
113.09651	1.8
119.08588	40.1
121.10125	11.3
123.08078	13.9
123.11685	5.4
127.03926	99.6
129.01825	5.5
133.10143	19.0
135.10681	4.3
135.11700	76.9
137.09622	17.5
139.11172	2.1
145.04962	27.2
147.02852	3.6
149.13237	5.1
151.07500	2.2
151.11197	6.1
151.14847	12.2
153.12698	2.3
157.10091	2.1
159.02936	13.9
163.06007	2.4
165.16467	2.1
169.05009	2.3
175.14847	40.2
193.15881	56.5
206.22758	1.9
211.16939	100.0
213.03958	21.5
231.05029	28.4
249.06052	6.2
253.06981	3.6
258.57394	2.0
273.06021	2.3
291.07053	7.7
357.08267	4.2
372.88461	2.0
375.09290	6.2
376.11487	1.9
393.10178	4.1
450.18341	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	603.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	18.1
55.01869	4.1
55.05514	6.9
57.03432	2.1
57.07070	1.7
59.04992	2.0
61.02912	4.3
61.30079	1.1
65.03930	1.1
67.01865	1.3
67.05177	1.1
67.05508	14.7
68.99777	3.6
69.03432	22.4
69.06757	1.2
69.07071	10.5
69.59630	3.5
69.60059	3.5
70.06571	1.3
71.05001	7.4
72.08141	1.0
73.02926	6.4
74.21129	1.0
79.05482	3.2
81.03420	41.5
81.07062	14.8
83.01370	1.3
83.04988	10.2
83.08617	6.8
83.55627	1.3
85.02911	47.1
85.06551	2.6
87.00837	25.5
87.04504	1.1
91.05458	2.3
93.07050	9.7
95.04962	1.5
95.08614	28.7
97.02895	40.7
97.10172	1.4
98.20780	2.5
99.04462	25.9
99.08084	3.0
103.03957	7.3
104.78114	1.0
105.01869	23.2
105.07044	7.5
107.08597	21.4
109.02887	91.1
109.06534	6.4
109.10164	80.8
110.03209	1.2
111.08087	1.7
113.09612	2.3
117.01851	1.4
119.08588	36.3
121.10171	10.6
123.08077	11.5
123.11736	8.3
125.09623	1.8
127.03925	100.0
128.04321	1.3
129.01851	6.7
133.10133	19.3
135.11702	87.8
137.09624	11.7
139.11147	1.6
145.04976	22.2
147.02888	3.6
149.13228	7.4
151.11247	5.8
151.14851	9.3
153.12718	2.2
159.02884	15.1
163.06013	2.1
165.16411	2.7
169.04941	3.3
175.14833	38.2
178.63890	1.0
185.26862	1.1
187.05989	3.0
193.15892	61.3
211.16939	55.9
213.03938	15.1
218.49892	1.4
231.05019	30.2
249.06131	5.3
253.07242	1.5
255.04898	1.5
273.06000	4.3
291.07196	7.9
355.42395	1.1
357.08176	3.9
375.09271	5.5
393.10275	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	602.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.05520	6.0
56.05038	1.6
57.07062	2.0
58.99589	10.1
60.08134	1.1
61.01134	1.9
67.05167	1.6
67.05508	18.8
69.07077	8.7
69.71773	2.0
69.72179	5.2
70.06592	7.7
71.04978	1.1
72.08159	2.3
73.01175	1.8
74.00678	7.5
76.02235	17.0
76.04006	2.8
79.05502	27.4
80.05006	1.6
81.07063	24.1
83.05013	2.3
83.06095	2.6
83.08624	4.9
84.04503	11.9
84.08157	2.8
86.09714	3.2
86.99060	4.9
88.02243	2.1
91.05484	16.6
93.07060	37.0
95.04972	2.7
95.08614	18.7
97.06544	3.0
97.10166	2.2
99.05590	2.3
105.07049	12.9
107.04911	1.1
107.08611	25.7
109.06523	1.3
109.10181	8.2
111.02687	1.6
113.04216	3.1
115.05451	1.2
116.01692	22.7
117.07029	5.1
119.08595	13.1
121.10161	16.3
123.08052	2.6
123.11722	1.6
129.06668	2.2
129.10161	1.4
130.05064	5.3
131.08580	7.1
133.10149	8.3
135.11702	20.8
137.09560	1.1
142.03226	5.5
143.08565	2.4
144.01186	10.0
145.06107	3.1
145.10141	6.9
147.11693	11.4
149.09619	1.6
149.13280	14.4
157.10118	2.8
159.11699	3.6
161.13303	6.4
162.02219	46.3
163.11226	1.5
163.14833	3.7
170.02794	2.3
171.11716	4.1
173.13286	4.5
175.11044	1.2
175.14832	1.4
177.12737	1.6
179.04871	14.9
185.13268	2.6
199.14940	2.3
203.14297	1.4
207.13705	2.0
209.15407	1.3
221.15433	2.6
224.16466	2.1
224.83640	1.1
231.04333	1.4
233.05986	1.3
235.16957	2.7
241.19539	3.7
245.05928	3.2
259.20612	9.3
274.10611	1.2
275.20187	4.1
277.21655	100.0
278.21918	1.5
289.16232	1.8
291.17725	1.9
295.22787	3.1
307.17200	3.1
308.09000	3.7
309.18970	5.8
334.22034	1.6
335.20416	2.3
352.23050	4.8
370.24112	22.7
438.23282	7.1
455.25790	15.5
456.24329	3.5
457.31961	1.3
473.26859	23.0
527.27887	14.4
573.02551	1.1
584.29620	3.5
602.31122	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.05518	7.4
57.07090	9.2
59.04987	2.2
65.03925	2.0
67.05503	11.8
69.03432	8.2
69.07072	7.1
71.34013	2.1
77.03912	1.9
79.05497	14.7
81.07063	17.3
83.04991	4.0
83.08625	3.8
85.06546	4.4
91.05492	23.8
92.05821	2.4
93.07047	32.0
93.68642	1.5
94.07398	2.1
95.04980	7.3
95.08616	20.1
97.06522	4.4
103.05486	1.9
105.07038	34.5
106.07393	3.0
107.08598	22.8
107.25626	1.4
109.06516	10.8
109.10167	8.6
115.05449	1.5
116.06237	1.5
117.07018	9.9
119.08585	39.1
120.08892	3.1
121.06504	4.5
121.10152	19.5
123.08086	16.3
123.11717	2.3
125.05974	5.1
125.10574	1.5
128.06201	4.6
129.06972	4.6
130.07809	2.6
131.08569	16.0
133.06523	2.4
133.10141	20.1
135.08058	14.3
135.11723	7.4
137.06009	1.6
137.09636	13.0
141.06981	3.6
142.07782	9.3
142.33736	1.4
143.08580	14.1
144.09296	3.3
145.06529	1.4
145.10124	29.9
146.10474	2.9
147.08054	23.8
147.11707	8.6
148.08473	2.6
149.09613	4.9
151.07542	13.8
151.11182	1.8
153.07083	1.8
155.08539	6.6
156.09297	6.4
157.10152	20.2
158.10733	4.4
159.08066	4.2
159.11731	18.0
160.12126	1.6
161.09647	7.2
161.13251	4.9
163.11168	8.5
165.06921	4.1
165.09132	47.0
166.09395	3.5
167.08542	2.6
167.10733	1.5
168.09328	2.6
169.10185	9.1
170.10835	4.0
171.11676	13.4
172.12173	1.5
173.09610	4.3
173.13292	8.3
173.14531	1.4
175.11205	6.1
175.14803	5.3
177.09251	1.8
179.08571	3.2
180.11394	1.9
181.10106	4.5
181.12241	11.7
182.10919	3.0
183.11743	10.6
184.12158	3.4
185.09709	1.8
185.13252	7.9
187.11182	4.4
187.14859	7.0
188.11736	2.6
189.12737	6.0
190.13477	3.4
191.14218	3.4
193.10146	2.7
193.12228	5.0
194.10881	1.9
195.11713	6.7
196.12520	2.3
197.13287	7.9
199.11157	2.8
199.14967	1.6
201.12646	2.8
202.13315	1.6
203.14328	16.6
204.14679	2.5
207.11723	4.5
207.13832	7.8
208.12418	2.3
209.13248	6.5
209.85242	1.5
210.13715	2.2
211.14833	4.1
213.12756	2.4
213.16391	3.2
214.13147	1.8
215.14336	2.7
221.13608	3.9
221.15379	100.0
222.15744	9.3
223.14619	3.1
225.12750	3.7
225.16371	2.8
227.14384	2.0
227.93062	1.5
234.16103	4.7
235.14755	3.5
237.16495	2.7
239.17978	1.8
247.16962	7.3
248.17319	4.5
249.16241	2.0
265.19440	1.5
271.16888	1.7
274.19180	1.9
283.20657	1.9
285.18613	2.1
286.19135	3.4
287.19977	4.7
288.20346	1.9
297.22095	1.8
299.20056	3.9
300.20483	5.8
301.21530	4.4
303.38452	1.4
311.19669	2.0
312.20654	1.6
313.21326	4.2
314.22052	1.7
325.21469	2.9
326.21924	3.2
327.23569	2.0
328.16718	1.5
340.23889	4.5
341.24326	2.5
352.24017	5.1
353.24234	5.2
365.24698	2.1
367.26282	5.1
375.27222	1.6
393.27805	3.1
420.30026	2.9
426.27417	2.2
427.28046	2.3
428.28888	2.4
440.29144	3.6
441.29523	12.7
491.35272	8.6
509.35962	4.6
520.35645	2.4
521.35742	9.7
583.41510	10.6
601.42352	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	602.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01864	3.0
55.05495	4.4
56.05023	3.4
58.06592	7.0
58.99590	44.1
61.01155	22.5
63.38882	1.4
65.03929	2.0
67.05498	4.2
68.05013	2.3
69.03430	1.6
69.07055	3.1
69.45408	10.5
70.06581	4.8
70.99593	1.6
73.01145	40.6
74.02419	2.7
75.49717	1.4
76.02234	26.6
78.07063	1.6
79.05500	15.7
81.07065	63.1
82.06573	2.4
83.08614	5.0
84.04509	51.0
85.01122	3.0
87.02705	7.9
95.04974	1.6
96.08146	12.3
99.02691	25.3
101.04304	8.7
104.98321	57.9
112.03981	9.7
113.04247	10.6
114.46374	1.4
115.05803	100.0
116.01722	9.2
116.05324	33.3
116.07102	9.9
116.07809	1.6
124.07608	9.0
125.91081	1.6
130.04982	8.0
142.03215	5.9
142.08624	7.0
144.01138	4.4
144.04745	1.8
147.02979	67.2
149.02312	3.4
155.08870	2.8
160.00626	1.5
161.38884	1.6
162.02214	13.0
166.43539	1.4
170.06737	2.8
170.08147	55.2
178.25899	1.6
179.04849	28.9
182.06352	2.1
193.04973	3.5
199.05389	2.0
202.05350	27.2
219.08000	44.5
221.04922	16.0
229.06410	2.2
233.05931	3.1
245.05933	3.0
245.09511	4.9
273.08954	7.0
290.00375	1.5
291.06360	3.1
291.46301	1.8
308.09103	8.8
330.11096	2.1
332.16843	1.6
348.12283	32.7
352.79468	1.5
375.93646	1.5
385.09024	4.0
471.22031	1.9
567.95111	1.7
605.87329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03937	3.0
55.05505	4.2
57.07086	8.6
59.04990	3.6
65.03947	1.3
67.05222	1.0
67.05504	11.2
69.03439	8.8
69.07076	5.3
69.74385	6.4
72.78950	1.0
75.41100	1.0
77.03909	1.0
79.05492	11.2
81.07054	17.8
83.04976	3.4
83.08607	2.1
85.06535	3.4
90.10756	1.1
91.05473	17.7
92.05805	1.4
93.06475	1.6
93.07050	30.3
95.04974	6.0
95.08054	1.3
95.08619	17.8
97.06537	3.3
103.05459	1.9
105.07034	31.9
107.04987	1.0
107.08601	19.5
109.06536	11.2
109.10159	7.8
111.08098	1.4
115.05474	1.2
117.07008	6.5
118.07269	1.1
118.99015	1.2
119.08587	40.0
120.08887	1.5
121.06522	6.2
121.10139	17.6
122.07300	1.3
123.08086	13.2
123.11747	2.0
125.05980	2.4
128.06218	3.2
129.07030	5.7
130.07822	2.4
131.08582	14.9
132.08955	1.4
133.06503	1.8
133.10141	18.5
135.08047	9.3
135.11703	8.6
137.09627	12.7
139.11125	1.0
141.06999	2.1
142.07774	5.3
143.08611	11.8
144.09306	2.4
145.06535	1.8
145.09045	1.6
145.10143	29.1
146.10428	2.2
147.08057	23.6
147.11674	6.2
148.08449	1.2
149.09625	4.8
150.09973	1.1
151.07564	10.1
153.09111	1.4
155.08585	5.2
156.09325	4.0
157.10141	19.4
158.10674	3.3
159.08076	3.2
159.11717	18.7
160.12131	2.0
161.09578	4.8
161.13243	6.2
163.11191	8.8
165.06961	2.6
165.09125	42.5
165.10515	2.3
166.09470	1.9
167.08548	2.6
168.09229	1.6
169.10152	9.6
170.10948	2.3
171.08115	1.1
171.11707	11.2
173.09729	2.4
173.13264	7.0
175.11234	5.1
175.14833	3.8
176.11513	1.2
177.09093	2.4
179.08517	1.8
179.10640	1.5
180.11565	1.1
181.10110	5.2
181.12244	10.8
182.10840	3.1
183.11751	7.6
184.12270	1.7
185.13283	7.5
187.11198	2.5
187.14822	5.1
188.11943	1.3
189.12775	3.7
190.13428	1.9
191.10626	1.1
191.14287	2.1
193.10173	4.4
193.12177	1.5
194.10890	1.7
195.11707	7.6
195.13324	1.3
196.12357	3.2
197.13287	6.4
198.13692	1.6
199.11079	1.2
199.14890	2.0
200.11911	1.1
201.12703	2.8
201.16431	2.0
203.10599	1.3
203.14337	15.6
204.14619	2.0
205.10205	1.3
207.11649	3.8
207.13792	5.8
209.13208	5.8
209.15228	1.8
210.14005	1.6
211.11108	1.9
211.14842	4.3
213.16423	1.9
215.14378	2.0
219.11659	1.8
219.13858	1.8
220.12445	1.4
221.13446	4.0
221.15367	100.0
222.13811	1.6
222.15689	7.7
223.11343	1.1
223.14752	2.6
225.12871	2.0
225.16527	2.1
227.14317	1.7
229.12273	1.2
233.13322	1.5
233.15428	1.3
234.16008	1.8
235.14705	2.1
235.16776	1.7
236.15555	1.5
237.16466	2.0
239.14290	1.2
239.17960	1.5
247.14786	1.5
247.16985	6.7
248.17389	2.8
249.16484	1.4
265.19662	1.5
275.19894	1.4
277.19839	1.2
283.20477	2.1
285.18604	2.3
286.19150	2.5
287.20145	6.0
293.18781	1.3
299.19965	3.3
300.20694	3.1
301.21542	4.7
309.66382	1.2
311.20093	1.8
312.20673	1.7
313.21448	2.3
314.21829	1.5
325.21719	2.3
326.21918	3.0
328.23502	1.2
337.21426	1.6
340.24011	2.4
341.24353	2.4
351.22900	1.2
352.23856	3.1
353.24292	4.3
365.24661	1.3
367.26205	6.0
375.26965	2.2
393.27789	3.1
414.27277	1.5
427.27933	1.4
428.28372	1.9
440.29001	2.8
441.29669	8.7
491.35284	8.9
495.34680	1.1
497.76801	1.3
503.35110	1.4
509.35880	3.8
520.35516	1.4
521.36017	5.9
565.40155	1.1
583.41174	9.3
586.39410	1.1
601.42426	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03723	1.8
53.03947	11.1
54.61778	1.4
55.01871	3.6
55.05505	3.4
56.51463	1.2
57.03422	2.1
67.05505	4.8
68.74970	1.2
68.99790	1.8
69.03132	1.4
69.03441	16.1
69.07058	3.5
70.06601	15.2
71.01369	1.6
71.04983	2.3
71.55062	2.0
72.08143	5.0
73.02923	1.9
74.00647	2.1
74.06063	1.2
79.05499	7.9
81.03425	22.1
81.07057	10.8
82.70347	1.3
83.04981	3.9
83.08633	1.1
84.04498	2.9
84.08148	6.0
85.02912	28.6
85.06555	2.3
86.09705	11.7
87.00841	12.5
91.05482	9.2
93.07043	6.2
95.04975	3.0
95.08605	2.2
97.02898	23.0
97.06548	2.8
99.04460	11.3
99.08099	1.9
103.03961	3.2
103.05458	1.9
105.01887	9.1
105.07045	16.1
107.04952	3.9
107.08606	24.8
109.02891	40.2
109.06528	6.0
109.10181	7.3
113.76073	1.3
115.03925	1.5
115.05452	1.4
117.07041	3.1
118.07842	1.5
119.08582	7.1
120.08109	4.1
121.06499	2.8
121.10147	19.1
122.07294	5.6
123.08034	4.0
123.11700	2.5
127.03928	50.2
129.01851	3.7
129.10258	3.3
131.08589	11.2
133.10144	100.0
135.08052	10.4
135.11697	2.2
137.09628	50.0
143.08600	2.6
145.04990	11.8
145.10184	6.3
147.02956	1.4
147.11699	6.4
149.09650	5.3
149.13312	9.9
151.11203	23.8
157.13307	2.1
158.10918	4.1
158.12126	1.3
159.02933	7.0
163.06091	2.4
163.14862	2.8
165.12756	18.9
173.13289	24.3
175.14821	1.8
187.06090	1.3
189.12891	1.5
191.14323	81.0
193.15901	3.5
209.15387	50.6
209.74640	1.1
213.03896	6.9
231.05022	16.3
249.06125	3.7
253.07002	1.3
259.20755	2.9
273.05991	2.8
273.15237	1.2
277.21667	1.7
291.07080	3.4
324.57935	1.4
357.08191	2.5
375.09375	2.5
393.10193	1.9
485.59399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01870	1.9
55.05497	2.1
60.64349	0.9
65.03947	1.4
67.05503	4.9
68.99821	1.2
69.03437	11.5
69.07076	1.8
69.90514	5.3
70.06590	7.2
71.05013	1.4
72.08150	2.7
76.09259	1.2
79.05500	9.9
81.03423	12.9
81.07056	11.3
83.04979	3.7
84.08153	3.6
85.02903	14.4
86.09697	3.0
87.00835	7.3
91.05490	8.0
93.07043	4.6
95.04974	2.4
95.08595	2.2
97.02898	12.9
99.04470	7.3
103.03918	2.3
105.01867	5.5
105.07040	9.0
107.04968	9.6
107.08601	27.7
109.02893	23.1
109.06537	3.2
109.10157	5.8
115.05446	2.3
117.07040	2.5
119.08568	4.0
120.08110	1.9
121.06512	3.3
121.10139	11.1
122.07288	6.5
123.08075	1.8
127.03930	27.3
129.01845	1.8
131.08583	3.5
133.10141	100.0
134.80920	0.9
135.08069	7.4
135.11722	1.6
137.09624	64.8
139.64473	1.0
143.08618	1.3
145.04997	7.4
145.05949	1.0
145.10156	2.4
147.02892	1.5
147.11699	2.8
149.09692	2.2
149.13264	9.4
158.10962	1.5
159.02881	3.5
163.06035	2.0
163.14828	2.1
169.05003	1.2
173.13271	6.9
185.09932	1.7
191.14319	97.3
192.14711	1.7
213.03957	6.1
231.05031	9.5
249.06131	1.6
264.75409	1.2
273.06277	1.4
291.07114	3.1
357.08383	1.8
361.01575	1.0
370.21628	1.0
375.09186	1.9
384.65445	1.1
393.10196	1.2
403.17508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44881	2.5
53.03945	6.2
55.01871	4.4
55.05518	18.8
57.07080	8.4
59.04996	4.8
65.03963	3.7
67.05509	27.4
69.03436	15.0
69.07073	23.8
69.29036	5.9
69.29423	23.0
71.04991	8.0
77.03944	2.5
79.05511	29.9
81.07066	46.2
83.04984	16.3
83.08628	17.1
85.00925	2.3
85.02925	2.7
85.06551	7.4
90.92304	2.6
91.05489	53.0
93.07056	65.9
95.04982	22.8
95.08618	33.6
97.06542	17.6
103.05448	5.0
105.07040	100.0
106.07834	5.9
107.04945	5.8
107.08604	74.4
107.09298	5.5
109.06534	21.7
109.10166	32.8
111.08112	6.0
113.06034	3.9
113.09644	8.2
115.05466	7.1
116.06252	3.0
117.07037	26.7
119.06119	3.0
119.08595	88.9
121.06499	12.5
121.10155	62.5
122.07288	4.0
123.08086	33.7
123.11729	8.8
125.09635	14.9
128.06239	16.5
129.07016	29.3
130.07814	10.3
131.08589	47.1
131.09517	4.2
132.09340	3.1
133.06522	8.6
133.10144	45.0
134.07274	3.6
135.08066	20.3
135.11687	12.2
136.82759	2.6
137.09665	13.8
139.11177	4.0
141.06978	13.3
142.07794	37.1
143.08583	56.6
144.09351	12.4
145.06485	7.2
145.10133	82.1
146.10847	6.4
147.08073	22.0
147.11713	20.6
149.09641	19.4
149.13243	3.2
151.07533	9.0
153.07051	8.5
154.07794	7.2
155.08601	23.5
155.10625	14.4
156.09355	25.5
157.08934	5.4
157.10152	74.2
158.10927	13.6
159.08064	20.8
159.11708	50.5
160.08807	5.3
161.09654	20.0
161.13283	9.9
163.11229	10.3
165.07025	15.5
165.09137	12.9
165.12758	4.1
166.07854	6.1
167.08606	17.8
167.10706	16.3
168.09384	7.9
169.10172	34.9
170.10936	13.1
171.08101	4.9
171.11720	56.7
172.08963	2.8
172.12456	6.2
173.09656	10.6
173.13313	27.7
174.10457	4.5
175.11180	19.6
175.14833	7.3
177.09135	3.4
177.12688	4.0
179.08524	17.5
179.14343	3.4
180.09387	10.9
181.10127	22.9
181.12271	6.1
182.10895	14.0
183.11708	39.1
184.12485	6.2
185.09598	6.8
185.13293	29.1
187.11220	9.2
187.14828	12.9
188.12018	3.9
189.12735	13.1
190.13567	3.8
191.14325	5.8
192.09409	5.6
193.10176	21.2
193.12134	5.9
194.10915	11.9
195.11728	36.8
196.12476	9.8
197.09657	4.6
197.13237	27.4
198.10413	2.6
198.14122	4.6
199.11232	13.1
199.14830	15.4
201.12764	9.4
201.16351	3.1
203.14349	17.4
204.09492	3.3
205.10158	6.5
206.10892	7.6
207.11717	21.2
207.13802	7.3
208.12477	11.4
209.09724	2.6
209.13341	32.4
209.15312	6.6
210.14029	6.1
211.11467	5.3
211.14842	22.9
212.11978	2.6
212.15567	3.4
213.12724	13.1
213.16345	5.9
214.13591	3.9
215.14389	10.1
217.10039	5.2
217.15794	2.9
218.16638	3.3
219.11763	7.9
219.13858	4.4
220.12485	8.7
221.13254	14.3
221.15419	31.1
222.13963	4.6
223.14857	27.5
225.12808	10.0
225.16451	11.8
227.14401	4.8
228.15009	2.7
229.15976	4.8
230.10880	5.5
231.11742	4.3
232.12428	3.6
232.14610	3.4
233.13257	8.2
233.15411	29.1
234.14067	3.9
234.16252	5.9
235.14862	12.4
237.12779	6.1
237.16647	13.5
239.14340	5.5
239.18015	5.5
241.15886	3.9
243.11696	3.6
245.13243	6.6
247.14854	10.4
247.17012	3.1
248.15764	3.8
249.16365	8.0
251.14253	4.1
251.18027	6.7
253.15909	6.8
253.19522	3.4
255.17453	41.2
259.14679	5.8
261.16373	9.6
263.17981	9.2
265.15979	2.9
265.19525	5.9
267.17557	4.4
268.18222	3.4
269.18988	6.4
270.19778	8.7
273.18619	7.1
275.17831	3.3
279.17633	6.0
281.18970	11.2
282.19785	3.2
286.19473	5.3
287.20203	5.2
289.19501	7.3
295.20499	6.0
299.20187	8.5
303.19730	3.0
307.20602	4.8
312.21072	3.7
313.21637	3.6
317.22470	2.7
347.23700	7.9
352.23901	9.9
365.24826	9.6
383.25864	6.4
403.29352	2.9
520.35254	4.0
567.38251	4.9
575.55902	2.6
582.40582	4.7
600.41425	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01852	2.8
55.05526	15.0
57.07072	11.1
65.03939	6.9
67.05506	27.1
69.03424	17.5
69.07070	18.4
71.06502	5.7
79.05503	35.7
80.06313	2.9
81.07067	38.7
83.04987	19.0
83.08640	11.2
85.06553	10.5
91.05482	56.9
93.07056	85.2
95.04976	23.5
95.08608	44.7
97.06532	9.6
102.64840	2.8
103.05473	6.3
105.07036	100.0
107.04960	6.3
107.08604	61.5
109.06528	24.7
109.10168	19.2
111.08128	7.6
113.09675	3.4
115.05463	9.3
117.07037	24.0
119.04988	4.3
119.08594	92.8
120.09383	6.7
121.06512	17.0
121.10152	52.2
122.07279	3.8
123.08089	31.0
123.11719	5.1
125.09619	8.5
128.06242	12.3
129.07013	27.9
130.07793	11.4
131.08589	47.5
133.06508	6.1
133.10144	49.2
135.08057	29.1
135.11678	9.2
137.06020	3.5
137.09645	14.9
139.11221	4.6
141.06982	11.9
142.07764	26.1
143.08568	53.0
144.09360	13.6
145.06488	6.6
145.10129	62.9
146.07266	3.8
147.08054	29.8
147.11731	19.2
149.09636	20.1
151.07579	19.8
153.07014	7.2
154.07808	4.8
155.08585	21.6
155.10672	6.2
156.09372	20.7
157.10143	88.2
158.10905	14.6
159.08092	20.7
159.11719	46.1
160.08855	4.3
161.09645	19.7
161.13275	8.0
162.10416	3.8
163.11185	15.9
165.07014	9.8
165.09122	41.2
166.07791	4.2
167.08553	11.6
167.10715	16.9
168.09386	8.5
169.10110	32.0
170.10867	10.4
171.08110	6.9
171.11694	40.3
172.08888	3.3
172.12392	9.9
173.09621	11.2
173.13269	22.0
175.11205	25.7
177.09175	4.5
177.12813	5.0
178.07974	3.8
179.08572	11.5
180.09410	6.1
180.11423	4.1
181.10133	17.1
181.12245	8.9
182.10915	8.8
183.11687	34.5
184.12450	7.1
185.09624	4.8
185.13243	25.8
186.14125	5.3
187.11209	10.2
187.14864	6.2
189.12772	13.5
190.13448	10.2
191.10718	5.8
191.14325	9.7
192.09303	3.7
193.10135	19.0
193.12303	10.5
194.10928	7.2
195.11725	28.7
195.13545	4.7
196.12447	8.9
197.09607	6.3
197.13272	31.6
198.10498	4.5
198.14046	4.1
199.11218	10.6
199.14798	9.4
201.12782	9.2
202.13490	4.1
203.14302	18.5
206.10913	10.9
207.11743	18.6
207.13857	18.5
208.12404	6.9
208.14421	4.2
209.11398	4.7
209.13284	26.4
209.15251	6.5
210.14000	4.6
211.11177	5.8
211.14873	14.1
213.12766	11.8
213.16365	6.0
215.14354	7.6
217.10141	6.0
217.12151	3.7
219.11758	8.0
219.13832	7.6
220.12515	6.2
221.13281	12.8
221.15337	74.5
223.11137	4.5
223.14894	10.8
225.12796	7.0
225.16374	9.2
227.14470	5.6
227.17871	3.6
229.15901	4.8
231.11659	4.9
231.13794	5.2
232.12375	4.3
233.13283	8.7
233.15393	25.6
234.16077	14.0
235.14841	11.4
237.12715	6.9
237.14897	20.8
237.16878	5.7
239.14340	5.2
241.15863	6.7
245.13217	7.6
246.13976	5.2
247.00444	3.0
247.14890	8.0
247.17027	10.2
248.13977	5.9
249.16353	8.0
253.15886	7.6
255.17503	30.8
259.14709	5.7
261.16388	7.0
263.18115	7.3
265.19733	4.8
266.16595	3.3
267.17459	5.4
269.19083	6.8
270.19659	8.6
271.16946	7.8
273.18698	7.4
274.19354	11.9
281.19135	9.7
285.18481	5.8
286.19336	16.1
287.20108	11.5
295.20462	5.6
297.18649	4.6
299.20239	16.9
303.19504	41.2
305.18658	3.5
309.22552	3.9
311.20148	5.3
312.20914	4.2
313.21686	11.3
323.20065	3.8
325.21640	13.1
337.21664	12.6
352.23987	75.9
365.24738	14.6
383.25775	5.9
439.29123	4.3
440.51443	3.7
461.52411	3.3
502.34256	9.3
502.93967	3.3
503.35403	5.4
505.33115	5.8
507.34760	10.0
508.34991	10.4
520.35449	36.4
582.40619	5.8
600.41339	37.0
622.90063	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01873	2.6
55.05520	23.0
57.07082	10.4
59.04998	2.3
62.70801	2.0
65.03936	4.1
67.05173	2.3
67.05511	28.2
69.03418	9.6
69.07071	20.2
69.27487	17.1
70.03860	1.9
71.04990	6.7
79.05051	3.0
79.05495	33.2
81.07053	34.2
82.87688	1.8
83.04988	18.2
83.08624	14.8
85.06551	7.4
87.04457	4.9
89.06032	2.4
91.05490	55.7
93.07050	72.9
94.56035	1.9
95.04974	21.3
95.08612	32.7
97.06535	20.0
97.10156	2.3
103.05482	4.7
105.07037	100.0
106.07825	3.0
107.07862	3.5
107.08598	67.9
109.06530	20.1
109.10157	31.6
111.04386	2.1
111.08067	8.4
113.06008	2.1
113.09647	5.2
115.05437	7.5
116.06247	3.5
117.07029	24.9
119.08588	82.1
121.06551	14.5
121.10152	52.7
122.07285	2.1
123.08078	27.2
123.11704	5.7
125.05980	3.1
125.09647	10.5
128.06218	16.2
129.07002	27.5
130.07800	8.9
131.08582	46.3
132.09351	4.9
133.06485	7.8
133.10138	44.8
135.08061	17.4
135.11702	13.1
137.09625	7.9
139.11179	4.2
141.07010	14.8
142.07782	33.5
143.08572	58.0
144.09363	15.1
145.06505	6.9
145.10136	74.0
145.11295	3.7
146.07303	3.6
146.10863	4.3
147.08051	16.6
147.11708	20.0
149.09642	18.0
149.13252	2.9
151.07553	7.8
151.11243	2.6
152.06253	2.9
153.06984	4.8
154.07788	2.3
155.08571	23.2
155.10600	12.1
156.09361	23.7
157.10138	71.5
158.10892	8.8
159.08064	25.7
159.11700	47.7
160.08827	6.4
161.09592	15.2
161.13252	7.9
163.11209	12.4
165.07028	7.8
165.09108	5.9
166.07785	4.3
166.09402	1.8
167.08597	12.5
167.10707	16.6
168.09328	8.8
169.10143	30.7
170.10927	16.8
171.08018	3.6
171.11717	45.8
172.08804	3.8
172.12418	3.3
173.09613	12.4
173.13269	24.1
175.11163	17.3
175.14828	6.5
177.12749	4.0
178.07843	3.5
179.08572	16.9
179.14346	2.7
180.09363	6.5
181.10126	24.2
181.11966	3.6
182.10873	16.3
183.11708	36.0
184.12393	6.7
185.09673	2.9
185.13252	24.5
186.14058	2.7
187.11192	9.0
187.14821	10.5
189.12712	9.2
190.13573	4.0
191.08511	3.3
191.14349	6.2
192.09346	5.2
193.10136	17.8
193.11957	3.8
194.10960	10.7
195.11700	36.5
196.12503	11.1
197.09677	3.3
197.13268	32.4
198.14006	2.4
199.11208	9.4
199.14810	16.0
201.12740	8.6
201.16360	4.2
203.14331	11.0
205.10112	4.5
206.10942	7.3
207.11711	23.3
207.13824	5.5
208.12436	8.3
209.09869	2.5
209.13290	31.0
209.15149	4.2
210.14003	8.7
211.11246	6.6
211.14838	18.7
212.15526	2.8
213.12740	7.4
213.16438	4.0
215.14262	10.1
217.10127	3.3
217.15810	3.4
218.16597	4.8
219.11671	9.4
219.13658	3.6
220.12428	5.7
220.14458	2.0
221.13251	17.7
221.15399	20.3
222.14111	5.1
223.11162	2.3
223.14755	17.7
224.15414	3.1
225.12746	8.2
225.16446	12.7
226.13341	2.0
227.14322	6.4
229.15874	3.7
231.11676	5.7
231.17436	2.6
231.66954	2.2
232.12384	2.8
233.13226	9.3
233.15398	26.0
234.13994	4.5
234.16191	7.0
235.14851	11.9
235.16934	3.4
237.12793	3.3
237.16441	13.5
239.14397	2.6
239.17906	2.8
241.15837	4.7
245.13226	7.5
246.14114	4.6
246.16225	3.0
247.14806	6.8
247.16997	3.3
249.16470	8.7
250.17230	3.0
251.14058	3.0
251.17973	4.8
253.15889	6.9
255.17462	33.6
257.13324	3.5
257.18909	3.2
259.14880	7.3
260.15430	2.6
261.16376	6.6
262.17200	2.5
263.17953	5.9
265.19595	3.6
267.17432	4.6
267.21066	2.1
268.18298	3.1
269.18985	6.3
270.19778	7.9
273.16086	3.5
273.18686	3.0
275.17963	6.5
277.19513	3.9
279.17444	4.7
281.18988	9.0
283.20605	2.8
285.18753	3.9
286.19366	3.6
287.20261	3.6
289.19443	3.9
291.21140	2.5
295.20700	6.3
299.20340	4.2
300.20718	3.2
307.20343	2.4
315.21143	2.7
329.22580	2.5
333.21967	2.2
345.22049	2.4
347.23688	5.4
360.24448	4.9
365.24722	5.4
383.25864	6.7
600.41260	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	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62528	3.2
52.59579	3.0
53.03940	5.4
55.05518	17.1
56.67654	3.1
57.07069	13.9
59.04987	5.5
60.04033	2.9
65.03909	4.7
67.05505	26.5
69.03436	17.8
69.07069	9.6
71.04985	4.4
77.03959	3.1
79.05491	30.1
80.06252	3.3
81.03513	2.9
81.07061	37.5
83.04961	12.9
83.08611	10.3
85.06548	7.2
86.87583	3.6
89.97751	2.8
91.05484	49.7
93.07051	70.1
95.04985	20.8
95.08611	38.3
97.06544	20.0
103.05479	3.6
105.04480	3.7
105.07036	81.8
106.07303	4.3
107.08595	52.9
109.06532	16.2
109.10160	15.6
111.08102	6.1
113.09669	6.0
115.05413	4.3
117.07022	23.1
119.04921	5.4
119.08590	70.1
121.06509	14.2
121.10164	46.0
122.10455	4.1
123.08069	35.1
125.09612	7.4
128.06247	11.1
129.07021	22.3
129.83124	3.3
130.07835	5.9
131.08582	33.7
133.06500	8.0
133.10129	43.8
134.10406	3.6
135.08055	21.9
135.11693	14.3
137.05984	4.1
137.09599	14.7
139.11261	6.4
141.06952	5.6
142.07808	23.7
143.08586	41.8
144.09309	12.6
145.06503	4.8
145.10135	57.4
146.10443	3.3
147.08038	30.7
147.11690	14.0
148.08493	6.2
149.09621	15.0
151.07529	21.7
154.07794	5.5
155.08586	19.6
155.10602	4.6
156.09367	22.6
157.10132	74.8
158.10802	9.6
159.08101	16.2
159.11714	33.0
160.08836	3.9
160.12190	3.2
161.09622	15.3
161.13246	10.2
163.11168	15.6
165.07021	4.1
165.09123	52.7
166.09457	7.9
167.08574	8.5
167.10727	6.5
168.09367	8.0
169.10103	29.6
170.10860	15.5
171.11662	30.5
172.12253	6.5
173.09599	10.5
173.13191	10.8
174.10349	4.1
175.11208	24.6
175.14851	5.0
177.12761	3.3
179.08566	8.8
179.10791	4.9
179.14319	3.2
180.09320	6.4
180.54886	3.5
181.10112	12.8
181.12201	13.9
182.10880	5.2
182.12553	5.7
183.11667	22.4
184.12334	5.0
185.09587	7.6
185.13252	22.0
187.11154	7.8
187.14677	4.6
189.12730	12.8
190.13487	10.5
191.14368	4.4
192.09322	5.1
193.10109	12.4
193.12268	10.0
194.10887	11.8
195.11737	19.3
195.13385	4.2
196.12352	8.7
197.09621	5.0
197.13297	19.5
199.11188	9.8
199.14862	8.4
201.12735	6.9
203.14339	33.0
205.10120	4.7
206.10893	4.8
207.11676	13.3
207.13847	12.7
208.12468	6.2
208.14516	8.8
209.13266	14.8
209.15298	4.9
210.13760	6.7
211.11255	7.0
211.14705	16.7
213.12733	8.9
213.16342	3.2
215.14258	3.4
219.11739	5.4
219.13831	9.0
220.12534	5.8
221.13263	11.5
221.15349	100.0
222.15678	23.3
223.14828	12.4
225.12701	6.2
225.16400	5.9
233.13246	9.1
233.15398	18.5
234.15991	8.3
235.14755	12.0
237.12726	7.1
237.14548	19.3
241.15858	4.7
245.13284	4.6
247.16968	17.3
248.14175	10.5
249.16280	7.7
251.17993	3.7
253.15889	5.8
255.17520	16.9
259.14603	6.3
259.17096	4.1
261.16342	8.0
263.18280	4.5
267.17313	4.4
269.18860	4.8
270.19843	5.6
271.17032	7.0
274.19370	16.9
281.18900	4.7
285.18472	6.4
286.19348	15.9
287.20035	12.8
294.19946	6.4
295.20215	4.9
299.20035	15.5
303.19550	36.4
312.20520	5.7
313.21765	20.9
325.21603	11.2
337.21725	11.7
352.23972	61.4
365.24921	18.2
374.26144	4.2
392.26978	3.9
420.29590	4.6
502.34274	9.1
503.35260	5.8
507.34613	4.9
520.35516	39.9
553.80847	3.5
585.39526	3.5
600.41663	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
53.14626	1.4
55.05514	6.0
57.07090	9.2
59.04998	2.5
60.22993	1.4
65.03933	2.3
67.05505	12.4
69.03430	7.3
69.07064	8.0
69.92007	7.6
72.71982	2.1
78.42757	1.6
79.05502	12.7
81.07069	15.6
83.04970	4.8
83.08606	1.9
85.06538	5.9
88.59982	1.5
89.06005	3.7
91.05483	21.6
92.06310	2.3
93.07052	22.7
95.04977	8.9
95.08611	17.9
97.06532	4.7
98.21040	4.8
104.64010	1.6
104.70715	1.5
105.04510	1.7
105.06387	3.0
105.07034	40.1
106.07838	3.2
107.08607	17.2
109.06526	12.1
109.10146	7.3
117.07032	9.6
119.08589	49.2
120.09426	1.8
121.06519	5.6
121.10159	20.0
123.08072	15.1
125.05979	14.6
128.06226	3.3
129.07053	8.1
130.07785	4.9
131.08572	21.6
133.06526	2.4
133.08545	2.5
133.10143	18.7
134.10849	2.4
135.08051	15.2
135.11699	7.0
137.05956	2.5
137.09615	13.3
139.07602	3.4
141.07004	5.0
142.07840	8.3
143.08559	20.4
144.09297	5.6
145.06458	2.5
145.10124	32.9
147.08054	28.0
147.11682	6.9
148.08305	1.7
149.09637	9.8
151.07553	10.4
155.08578	8.4
156.09351	7.5
157.10143	30.6
158.10855	4.9
159.08070	6.1
159.11725	18.7
160.08871	3.5
160.12395	2.5
161.09630	10.4
161.13245	5.7
163.11180	15.8
165.07010	2.9
165.09117	42.1
166.07915	1.6
166.09494	5.1
167.08607	2.8
168.09361	3.0
169.10170	12.9
170.10939	3.8
171.11717	16.1
172.12459	3.2
173.09660	8.4
173.13240	7.8
175.11198	19.6
175.14871	1.9
177.09117	4.2
177.12741	1.9
178.09920	1.7
179.08661	2.5
180.09375	2.0
180.11369	3.1
181.10133	6.8
181.12218	17.1
182.10928	3.2
183.11720	12.0
184.12407	2.8
185.09654	4.8
185.13249	7.7
187.11183	7.4
187.14859	3.6
189.12747	6.4
190.13531	8.9
191.10649	7.3
191.14330	2.3
193.10138	4.9
193.12231	12.1
194.10954	2.3
195.11693	10.2
195.13733	3.4
196.12546	3.9
197.09586	2.7
197.13264	11.5
199.11189	5.3
199.14870	4.4
200.11905	1.8
201.12724	5.6
203.14349	18.8
204.14709	3.1
207.11697	4.5
207.13794	13.5
208.12529	3.6
208.14577	8.3
209.13277	8.9
210.13809	2.0
211.11148	2.7
211.14798	6.9
212.15518	3.6
213.12744	4.1
213.16396	1.7
215.14305	2.5
216.15120	2.3
219.11861	2.6
219.13823	6.7
221.13434	4.5
221.15370	100.0
222.15767	12.1
223.11171	2.5
223.14824	5.3
225.12823	4.9
225.16318	2.8
227.14339	2.8
229.15921	3.0
233.13220	1.8
233.15350	3.2
234.14090	2.7
234.16191	18.8
235.14818	3.4
237.16393	2.2
239.18015	2.2
241.15811	2.4
245.15388	2.0
247.14726	1.5
247.16963	29.1
248.17613	2.8
249.16312	1.9
251.14276	2.1
251.17934	1.6
253.15852	2.3
259.16983	5.6
265.15869	2.5
265.19611	1.8
269.15341	2.1
269.19162	2.3
271.16919	4.2
273.18491	3.1
274.19305	15.4
279.17432	2.0
281.18921	3.8
283.26337	2.6
285.18524	3.3
286.19260	4.2
287.19977	12.1
291.17416	2.6
297.18607	3.8
299.20062	16.9
300.20801	4.3
308.23193	1.7
311.19955	4.2
312.20715	5.7
313.21594	7.0
325.21552	16.6
327.23248	4.7
337.21768	3.3
339.23123	4.5
340.24033	14.6
351.23468	2.1
352.24008	24.0
353.24734	2.2
365.24799	6.1
366.25552	5.5
379.26410	6.6
382.91507	1.6
387.25278	6.5
391.26294	4.7
392.26758	3.1
402.27762	1.7
413.26743	5.8
419.29330	10.2
420.30026	3.9
425.27185	8.7
426.27493	4.7
427.28644	15.3
428.28775	1.9
440.29282	45.0
442.30334	4.8
505.32974	2.4
508.35165	5.1
520.35461	30.8
521.35944	3.0
582.40778	2.9
585.38971	2.9
600.41595	34.1
600.51587	2.0
600.55780	3.5
601.42273	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
51.23569	1.3
53.03956	2.6
53.55466	1.4
55.01864	2.8
55.05508	5.6
57.07079	12.7
59.04985	3.6
61.64436	1.2
64.10802	1.4
65.03917	1.8
67.05504	12.4
69.03430	10.0
69.07070	6.4
71.05016	1.4
71.47799	1.8
74.73980	1.2
77.03931	1.4
79.05495	16.2
81.07066	24.0
83.04977	7.2
83.08624	2.2
83.36951	1.5
85.06548	5.5
89.06032	2.5
91.05486	35.9
92.06330	2.2
93.07053	28.3
95.04981	10.9
95.08620	17.3
97.06544	7.5
103.05481	1.6
105.07038	51.1
106.07890	1.3
107.04977	2.1
107.08601	24.6
109.06532	15.0
109.10165	8.0
111.08098	2.6
115.05453	2.1
115.59251	1.4
117.07029	11.9
119.04902	1.2
119.08588	59.1
119.09446	3.0
120.09375	2.7
121.06525	7.6
121.10141	19.5
122.07263	1.5
123.08076	17.4
125.05989	11.5
128.06210	7.1
129.07016	10.2
130.07816	4.6
131.08569	25.5
132.09351	2.7
133.06520	5.1
133.08594	1.7
133.10139	23.9
134.10872	2.6
135.08066	20.7
135.11711	6.7
137.09648	15.4
139.07547	4.0
139.11163	2.6
141.07004	5.2
142.07771	8.9
143.08566	22.5
144.09384	6.5
145.06467	3.4
145.10141	34.8
146.10884	1.6
147.08060	34.2
147.11678	9.9
148.08582	2.7
149.09612	11.8
151.07552	11.6
151.11183	2.5
153.06952	1.3
154.07732	1.6
155.08572	12.2
156.09380	8.4
157.10149	36.7
158.10912	7.2
159.08087	7.0
159.11708	26.6
160.08846	2.3
160.12413	2.3
161.09622	11.0
161.13252	6.4
162.10472	1.7
163.11189	14.6
165.06972	3.4
165.09132	46.7
165.10518	2.9
166.07866	2.4
166.09431	3.6
167.08621	4.2
168.09351	2.9
169.10107	16.3
169.99382	1.4
170.10905	6.5
171.08142	2.4
171.11708	18.6
172.12486	2.2
173.09570	7.0
173.13235	9.4
175.11188	23.9
175.14778	2.8
177.09164	3.1
177.12833	2.0
178.07767	1.8
178.09821	2.6
179.08615	4.7
179.10625	2.4
180.09363	2.1
180.11476	3.8
181.10219	9.6
181.12238	21.3
182.10942	4.8
183.08099	1.4
183.11696	15.9
184.12450	3.3
185.09633	4.6
185.13239	10.4
186.13879	2.0
187.11238	6.0
187.14813	2.6
189.12746	9.9
190.13554	11.2
191.10706	5.0
191.14526	2.1
193.10185	5.1
193.12286	12.0
194.10974	3.2
195.11707	9.9
195.13431	2.1
196.08951	1.4
196.12469	3.5
197.09610	2.5
197.13303	12.0
198.14015	2.5
199.11214	8.4
199.14841	3.9
201.12805	9.3
201.16399	1.3
203.14308	21.5
204.14758	2.1
205.12242	3.4
206.10947	1.6
207.11693	6.4
207.13829	10.3
208.12582	2.8
208.14604	9.0
209.09694	2.1
209.13266	8.7
209.15222	2.8
210.13997	3.7
211.11220	3.9
211.14874	6.7
212.11969	2.4
212.15573	3.3
213.12726	5.9
213.16408	3.4
215.14323	3.2
216.14883	1.6
219.11841	1.9
219.13808	6.8
220.12503	2.0
221.13356	6.3
221.15370	100.0
222.13882	2.0
222.15657	7.0
223.14861	5.1
224.15451	1.6
225.12746	5.2
225.16449	3.6
225.78252	1.4
227.14319	4.4
229.12239	2.0
229.15962	3.4
231.13780	2.2
233.13280	2.0
233.15428	4.8
234.14078	2.9
234.16165	21.2
235.14754	3.3
237.12753	3.4
237.16486	2.3
237.78709	1.4
238.13541	1.4
239.14290	3.1
240.18900	2.0
241.15878	2.5
245.15491	1.7
247.14537	3.0
247.16965	32.9
248.17682	2.7
249.12770	1.8
249.16299	2.6
251.14355	3.3
253.15855	3.3
255.17397	2.1
259.16980	4.3
261.18628	2.1
263.17932	1.7
265.15875	3.2
267.17578	3.1
269.15488	4.0
271.17007	5.2
273.18457	3.2
274.19330	12.7
279.17355	2.3
281.18988	2.4
283.16815	2.3
286.19281	6.0
287.20135	10.6
293.19012	1.6
297.18527	4.4
299.20139	18.8
300.20688	3.7
307.20609	4.1
309.18408	1.4
311.19983	4.9
312.20822	9.9
313.21552	6.6
323.20187	1.7
325.21634	17.8
327.23260	5.0
337.21683	4.9
339.23199	6.2
340.23978	18.5
352.24014	33.3
353.24551	3.8
365.24704	5.7
366.25345	3.3
374.26199	1.6
377.24442	1.6
379.26321	6.1
387.25443	6.5
391.26276	4.2
392.26843	3.3
399.52502	1.6
400.26047	3.1
405.27795	1.6
413.26923	6.5
419.29459	10.6
420.30157	3.9
425.26883	8.7
426.27545	5.1
427.28531	15.9
428.29150	1.7
440.29233	54.6
441.29660	1.6
442.30792	4.4
454.31345	1.5
507.34555	4.2
508.35291	6.1
520.35541	35.2
521.36115	2.7
582.41168	1.6
585.39124	4.4
600.41534	32.6
601.42053	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05514	6.8
56.93309	1.2
57.07083	11.2
59.04999	2.1
63.17211	1.2
65.03931	2.5
67.05511	9.8
69.03428	8.3
69.07059	5.2
69.47018	3.9
69.47446	5.2
79.05503	15.5
81.03387	1.1
81.07057	16.8
83.04971	5.8
83.08616	2.2
85.06528	5.6
85.06976	1.3
89.06005	1.3
91.05481	22.4
92.06281	1.7
93.07050	25.2
95.04958	9.2
95.08618	18.4
97.06537	3.5
103.05447	1.5
105.07033	40.9
106.07865	1.8
107.04967	2.2
107.07959	1.8
107.08614	20.7
109.06522	12.0
109.10172	7.8
111.04440	1.3
111.08080	2.1
115.05455	2.7
117.07018	15.0
119.08591	55.4
120.09314	1.4
121.06527	6.5
121.10164	15.1
121.18196	1.5
122.07310	1.6
123.08090	18.2
125.06001	9.4
128.06233	3.7
129.07057	8.7
130.07756	3.6
131.08557	20.0
132.09384	1.7
133.06464	3.1
133.10149	21.5
134.10876	2.0
135.08057	17.5
135.11699	5.1
136.08786	1.4
137.05956	2.8
137.09633	14.4
139.07527	3.8
141.07011	3.0
142.07791	8.5
143.08591	21.7
144.09346	6.4
145.06473	1.8
145.09032	2.5
145.10138	33.3
147.08057	26.6
147.11710	7.0
148.08560	1.3
149.09641	9.0
151.07539	9.1
151.11172	2.5
153.07077	2.3
155.08572	11.4
156.09367	7.5
157.10139	29.2
158.10851	3.5
159.08064	4.5
159.11696	20.5
160.08804	2.2
161.09639	8.8
161.13254	5.1
162.10356	1.9
163.11189	17.7
165.07019	1.9
165.09132	46.6
166.09422	3.8
167.08592	4.3
168.09317	3.8
169.10170	14.6
170.10902	4.4
171.08090	1.6
171.11720	18.7
172.08929	1.8
172.12476	4.1
173.09633	8.8
173.13284	6.4
175.11183	15.6
175.14851	3.1
177.09164	3.3
177.12682	2.3
178.09929	4.3
179.08563	2.5
179.10696	1.9
180.09373	1.4
180.11423	4.0
181.10269	7.9
181.12238	15.2
182.10902	3.9
183.11694	13.2
184.12373	3.3
185.09593	4.5
185.13290	10.7
186.14032	1.5
187.11179	4.5
187.14810	4.5
189.12708	8.4
190.13554	10.0
191.10669	4.1
191.14207	1.6
192.09421	2.1
193.10165	3.8
193.12239	12.3
194.10913	3.9
195.11700	9.9
195.13725	2.2
196.12389	2.5
197.09711	2.1
197.13333	10.2
198.10374	1.5
198.13965	1.5
199.11150	5.5
199.14832	3.9
200.11960	2.0
201.12762	7.4
203.14346	19.2
204.14700	3.2
206.10941	2.0
207.11700	6.8
207.13812	9.3
208.12628	1.8
208.14580	8.5
209.13284	7.6
209.15144	1.7
210.14043	1.6
211.11214	4.2
211.14734	7.2
212.15410	2.2
213.12741	3.2
215.10574	1.7
215.14339	2.9
216.15045	2.2
217.15930	1.6
219.13733	7.5
220.12497	1.6
221.13429	5.1
221.15373	100.0
222.13992	1.6
222.15776	11.4
223.11064	2.6
223.14821	5.7
225.12755	4.1
225.16380	4.4
226.13660	1.5
227.14351	3.0
229.12271	2.3
229.15894	4.2
231.13847	2.6
233.13260	3.3
233.15329	3.0
234.13950	1.3
234.16153	20.4
235.16856	2.3
237.12689	3.5
237.16432	2.2
239.14255	2.9
239.17969	2.7
240.18893	1.7
241.15833	2.4
243.13649	2.3
245.15491	1.8
247.14569	2.9
247.16956	29.2
248.17589	2.9
251.14296	2.7
253.15959	2.6
255.17603	1.5
256.18564	1.4
257.15256	1.9
259.16980	4.3
260.17691	2.0
265.15927	1.6
267.17508	2.5
269.15378	1.8
271.17065	3.4
273.18643	1.6
274.19345	11.8
277.15503	1.7
279.17398	3.1
281.19073	2.9
283.16965	2.0
285.18396	3.3
286.19379	3.8
287.20053	9.7
288.20328	1.5
293.18988	1.6
295.16943	1.7
297.18466	3.8
298.19159	1.5
299.20090	14.5
300.20731	3.8
307.20471	3.0
310.19443	1.6
311.20053	3.8
312.20883	7.6
313.21658	7.5
314.21915	1.3
319.20663	1.3
325.21646	11.1
326.22324	2.9
327.23151	3.1
337.21667	3.5
339.23279	4.5
340.24017	15.5
352.23950	28.0
353.24612	2.0
363.23297	1.7
365.24728	5.6
366.25497	4.0
377.24634	2.8
379.26242	4.6
387.25287	4.5
391.26166	3.8
392.26886	3.1
400.25836	2.9
402.27832	1.6
413.26752	5.2
419.29373	10.3
420.30441	3.0
425.26971	7.4
425.32083	1.4
426.27533	4.6
427.28372	11.4
428.28705	3.4
440.29272	40.9
442.31165	1.9
454.30756	2.6
507.34570	3.8
508.35446	6.8
520.35468	26.5
521.36066	3.3
582.40576	1.8
585.39380	4.1
600.41547	36.8
601.41772	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01860	4.2
55.05512	28.1
57.07065	10.1
59.05005	4.0
65.03923	5.7
67.05511	32.0
69.03435	18.2
69.07074	22.7
69.67305	14.7
71.04980	5.4
79.05497	39.2
81.07070	43.7
82.07377	3.5
83.05001	17.7
83.08636	23.0
84.08970	6.2
85.06557	5.2
87.04462	9.1
89.06041	74.4
91.04964	4.7
91.05490	54.4
93.07054	65.4
94.07359	3.6
95.04977	22.9
95.08612	40.3
96.05283	3.5
96.08945	6.1
97.06514	23.8
98.06882	5.2
98.20827	5.8
103.05492	8.1
105.07038	83.3
106.07343	8.1
107.04974	5.1
107.08604	66.3
108.08884	5.7
109.06519	19.5
109.10165	32.6
110.10521	7.5
111.08101	9.1
113.09610	9.1
115.05432	7.5
116.06231	3.6
117.07010	22.2
119.08591	100.0
120.08929	9.8
121.06538	16.6
121.07258	3.3
121.10156	62.5
122.10479	6.4
123.08049	17.3
123.11729	7.7
123.34522	3.2
125.09639	17.8
128.06224	15.3
129.07048	22.3
130.07794	5.1
131.08591	48.6
133.06512	5.2
133.08636	55.9
133.10138	53.4
135.08107	18.4
135.11684	19.1
137.09616	13.9
139.11165	12.2
141.06978	13.3
142.07811	29.9
143.08597	46.7
144.09195	7.8
145.06425	5.2
145.10132	69.3
146.10509	6.5
147.08070	21.1
147.09056	3.6
147.11716	22.8
149.09650	15.8
153.07019	4.5
154.74820	3.0
155.08585	22.5
155.10709	6.9
156.09378	21.4
156.10510	3.8
157.10144	58.1
158.10794	12.2
159.08092	19.3
159.11684	33.2
160.08849	3.5
160.12181	4.0
161.09656	19.1
161.13232	7.8
163.11165	6.6
165.06931	5.0
165.09131	7.7
167.08595	10.8
167.10683	30.5
168.09308	10.1
168.10867	4.1
169.10121	24.3
170.10825	16.1
171.11713	40.2
172.12300	4.1
173.09715	7.5
173.13310	22.2
175.11217	9.0
175.14841	10.1
177.11221	19.7
177.12671	6.6
179.08551	13.7
180.09261	7.3
181.10150	17.2
181.12234	10.5
182.10855	12.0
182.12485	6.9
183.11737	27.7
184.12181	3.7
185.09537	6.4
185.13266	23.9
186.13953	3.7
187.11208	9.0
187.14835	7.8
189.12764	10.8
191.14310	7.3
192.09348	4.9
193.10133	17.0
193.40607	3.4
194.10860	9.6
195.11723	31.6
196.12354	9.7
197.13286	27.0
198.10471	3.2
198.13632	8.4
199.11154	7.1
199.14822	14.1
200.15341	5.3
201.12756	5.4
203.14301	10.0
206.10835	4.9
207.11739	17.3
207.13594	4.5
208.12250	12.1
209.09618	3.6
209.13344	27.3
209.15227	5.8
210.13805	10.3
211.11345	3.5
211.14824	18.0
212.11903	4.0
212.15320	5.3
213.12791	8.2
213.16417	4.8
215.14241	4.5
217.15985	5.2
219.11639	10.1
220.12483	6.2
221.13336	16.3
221.15222	16.8
222.13818	7.1
223.11305	4.2
223.14871	19.6
225.12836	6.7
225.16393	6.7
227.14336	10.0
229.16039	3.9
231.11678	4.5
231.17232	3.2
233.13257	7.2
233.15382	25.2
234.15816	8.8
235.14792	11.1
236.15448	3.9
237.16324	13.1
239.17984	6.1
244.12354	4.3
247.14737	8.5
249.16483	8.9
251.17963	6.0
255.17513	24.7
259.14786	4.7
260.15457	4.0
261.16437	4.3
263.18073	6.6
269.18954	7.0
270.19708	7.9
273.18582	6.3
274.16693	3.2
277.19409	4.5
281.18869	6.4
283.20709	4.0
285.18686	5.5
289.19601	3.6
297.18585	4.7
299.20419	4.4
300.20529	5.8
313.19574	4.2
321.22281	3.9
327.20084	3.4
337.22263	4.5
338.38916	3.6
347.23666	6.4
348.24503	5.2
351.23383	3.6
360.24222	6.2
365.24744	6.0
366.25577	7.9
412.24658	3.3
415.25537	22.4
455.09235	3.1
490.34518	3.7
498.53220	3.6
582.40173	12.5
600.41284	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
55.01877	1.4
55.05511	3.5
56.05035	1.0
57.03450	0.9
57.07079	0.6
57.98805	0.9
58.99589	19.0
61.01143	0.6
61.59998	0.3
65.03939	0.5
67.05507	8.3
69.03427	0.9
69.07070	5.3
70.02937	0.4
70.06589	1.8
71.04984	0.5
73.01146	0.5
76.02229	80.8
76.03993	2.8
78.03809	0.5
79.05490	7.0
80.05017	0.8
81.03446	0.5
81.07059	11.6
83.05009	3.0
83.06095	2.0
83.08620	2.0
84.04505	14.2
84.08154	0.8
85.06535	0.5
86.09711	0.6
86.99058	4.9
88.02216	2.4
91.05481	7.6
93.07053	10.3
95.04967	2.1
95.08609	7.5
97.01124	0.5
97.06541	1.6
97.10161	0.9
99.05605	0.7
100.02186	0.5
102.05582	0.6
105.07027	9.3
107.04950	2.3
107.08599	6.3
109.06518	5.3
109.10134	4.0
109.10705	0.4
111.08122	0.8
114.03732	1.2
116.01680	22.4
117.07043	2.5
119.08595	6.0
120.08115	0.5
121.06503	4.4
121.10137	4.0
123.08057	1.8
123.11725	1.4
124.02175	0.4
129.06540	2.0
129.33501	0.4
130.04997	5.6
131.08571	7.8
133.06487	1.5
133.10129	8.4
133.11084	0.7
135.08032	1.9
135.11710	2.1
137.09621	0.7
141.04816	1.0
141.07002	0.6
142.03229	8.9
143.08560	2.0
144.01143	13.9
145.06197	1.1
145.10104	5.9
147.08069	1.5
147.11684	4.4
149.09628	2.7
149.13271	1.1
151.11194	1.8
155.08569	0.6
157.10126	1.7
159.08032	0.6
159.11671	3.3
161.09662	2.1
161.13264	1.5
162.02206	44.5
163.11182	2.5
169.10141	1.0
170.02686	3.1
171.11678	1.7
173.09651	1.1
173.13283	2.2
175.11189	1.4
175.14815	0.5
177.12747	1.2
179.04857	100.0
180.05252	0.7
181.06056	0.7
183.11682	1.1
185.09785	0.6
185.13271	0.8
187.05388	3.3
187.11206	1.1
187.14723	0.6
189.12779	0.9
191.14311	1.4
197.13242	0.6
199.05444	0.5
201.12715	1.2
205.06541	0.5
207.13728	2.1
215.04886	1.9
219.13832	1.5
227.17932	0.4
229.19557	1.0
231.17470	0.7
233.05927	14.3
239.17918	0.8
245.05968	3.7
245.18997	0.9
247.20573	1.3
257.19040	4.3
272.07037	0.6
273.18469	4.2
275.20062	33.6
289.32080	0.4
290.08038	1.2
291.06400	2.6
291.19601	3.3
293.17789	0.8
293.21112	20.9
308.09113	32.8
309.09305	0.6
333.18777	0.6
350.21484	0.6
351.19897	1.0
368.22525	9.0
378.20828	1.3
453.24155	6.0
458.44595	0.4
471.25174	1.5
525.26196	2.7
582.28076	1.6
588.66302	0.5
600.20605	0.7
600.29468	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01876	3.4
55.05515	12.6
57.07077	8.3
59.05009	3.1
61.37815	0.7
65.03929	1.6
66.11820	0.8
67.05508	15.6
69.03431	13.6
69.07091	4.7
71.04993	4.8
77.03901	0.9
79.05494	13.7
81.03467	1.0
81.07067	15.1
83.04995	7.5
83.08623	15.7
85.06553	3.6
87.04486	1.5
91.05487	22.4
91.83056	0.8
93.07050	35.4
95.04980	9.3
95.08617	23.5
97.06537	21.7
97.07137	1.5
98.20730	2.4
103.05495	2.6
103.40659	0.8
104.37035	0.8
105.04526	1.0
105.07036	30.2
107.04959	1.1
107.08597	24.8
107.09287	1.6
109.06561	6.1
109.10153	8.4
111.08079	4.0
113.09651	11.2
115.05486	1.8
116.06219	0.8
117.07030	7.4
119.04939	1.4
119.08589	35.4
121.06521	7.8
121.10141	19.8
122.07286	0.9
123.08076	21.3
123.08945	1.5
123.11713	1.5
125.06005	2.2
125.09643	6.4
128.06258	3.5
129.07005	6.4
130.07785	4.0
131.08582	13.8
132.09364	1.1
133.06544	3.0
133.10127	15.4
135.08058	10.5
135.11723	5.3
137.05954	1.3
137.09627	14.0
137.10593	1.3
139.07596	1.2
139.11201	13.0
141.07025	2.7
142.07790	9.3
143.08583	12.8
144.09383	3.6
145.06444	1.4
145.10129	26.3
147.08055	23.4
147.09222	1.2
147.11700	5.1
149.09639	4.7
149.13182	0.8
151.07552	14.2
151.11145	1.2
153.06927	0.8
153.12721	4.3
154.07771	1.3
155.08588	7.9
155.10651	9.4
156.09352	5.9
157.10141	25.2
157.11461	1.2
158.07307	1.3
158.10986	1.1
159.08067	5.3
159.11699	11.8
160.08905	1.0
161.09622	5.7
161.13251	6.3
163.11168	9.2
163.19638	0.8
165.06996	3.0
165.09125	48.7
165.12820	1.6
166.07887	0.9
166.09390	0.9
167.08646	3.1
168.09406	3.6
169.10139	13.9
170.10945	3.3
171.08167	1.3
171.11700	12.1
172.08862	1.1
173.08423	0.8
173.09624	4.3
173.13339	4.1
174.10431	0.9
175.11224	2.7
175.14865	2.3
177.09091	1.6
177.12750	1.4
179.08507	4.2
179.10762	1.7
179.14333	5.1
180.09357	1.9
181.10320	6.3
181.12239	21.3
182.10907	4.6
183.11711	11.6
184.12502	1.1
185.09636	2.7
185.13269	8.0
187.11263	2.2
187.14876	1.5
188.40193	0.7
189.12714	4.9
190.13467	1.0
191.08730	1.0
191.10681	2.0
191.14293	1.3
193.10149	7.2
194.10963	4.2
195.11751	11.3
195.13861	4.8
196.12509	3.5
197.13266	11.5
198.10628	0.9
199.11244	2.3
199.14864	2.8
201.12805	3.1
203.14328	19.6
205.10161	1.4
205.15948	2.2
206.10936	2.2
207.11763	5.2
207.13884	7.1
208.12498	2.5
209.09561	0.9
209.13332	8.9
209.15256	1.4
210.14000	1.2
211.11282	1.1
211.14827	7.2
213.12694	1.9
213.16345	1.1
215.14372	2.7
217.10277	1.2
217.15927	1.9
218.11145	1.1
219.11731	2.4
219.13800	1.5
220.12553	1.9
221.13342	6.1
221.15363	100.0
223.14865	11.5
225.12843	1.8
225.16418	2.4
227.14337	1.1
229.15990	2.3
231.11707	1.2
233.13237	2.5
233.15486	4.6
235.14888	4.1
235.16968	1.4
236.15715	1.1
237.16449	2.1
239.14372	1.3
241.15977	1.6
243.11757	1.7
243.17601	1.5
245.13237	1.3
245.15451	1.6
246.16264	1.0
247.14795	2.1
247.17050	10.9
248.15614	1.0
249.16461	2.2
250.17299	1.0
251.14403	1.1
251.17892	4.2
253.15962	1.7
255.17464	1.4
257.19046	1.2
259.14731	1.2
259.17197	1.9
261.16342	2.1
261.18686	1.5
263.17993	1.0
265.16119	0.8
267.17624	1.6
269.19107	2.1
271.17032	1.6
273.18671	1.9
275.20215	1.3
277.16037	1.0
277.19498	1.2
281.19138	1.4
285.18564	3.7
287.20224	7.6
295.20837	1.0
298.19455	1.7
299.20126	12.7
301.21744	1.7
311.20230	4.7
313.21689	6.3
315.20810	1.2
325.21637	1.9
339.23340	1.6
347.23685	1.1
352.24118	0.9
353.24796	1.3
364.24118	1.2
365.24805	6.6
375.23175	2.4
377.24634	1.1
387.25308	4.7
391.26303	6.4
413.26904	6.0
419.29211	5.0
431.29752	3.1
449.30185	0.9
453.29922	1.5
457.67288	0.9
493.32669	0.9
507.34973	2.4
543.34778	1.9
581.39838	4.5
599.41052	41.4
600.42102	1.0
625.87555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01872	1.3
55.05511	1.6
56.05039	1.2
58.59044	1.0
60.04509	2.1
69.03423	3.2
69.07088	1.4
69.32820	8.8
70.06596	16.3
71.05006	1.2
72.08156	3.8
79.05498	3.2
79.57824	1.0
81.03426	14.9
81.07064	1.7
84.04521	2.9
84.08150	7.2
85.02905	9.6
86.09718	8.5
91.05501	3.8
93.07049	1.4
94.50623	1.0
95.04977	2.4
97.02897	3.8
100.11269	1.4
103.05470	3.6
105.07029	2.5
107.04977	9.0
109.02847	1.8
110.07178	1.5
115.05445	6.2
116.05339	1.3
116.07120	1.2
117.07024	17.3
120.08109	3.2
123.04434	3.2
124.05190	1.6
127.03970	2.0
129.06978	3.0
129.10255	3.5
130.04129	1.1
130.06451	1.1
131.08569	4.7
131.63379	1.0
133.06517	2.3
136.07590	1.7
144.05713	3.6
145.04970	3.2
145.06497	35.0
147.04366	1.1
153.05479	1.5
155.04842	1.1
155.06035	4.2
156.05705	8.9
158.07269	1.7
159.08051	5.0
161.05972	4.2
167.07054	48.2
173.05994	56.4
173.09206	1.8
173.63072	1.1
175.07620	2.2
180.08730	2.6
181.08623	1.6
184.05237	2.5
187.07486	5.9
190.06277	33.1
190.08015	2.0
191.06943	2.8
193.08658	3.1
202.06306	3.7
203.07063	6.1
203.08673	1.4
205.08618	100.0
206.09087	1.7
217.06538	2.7
217.08611	43.2
219.08090	3.8
219.09990	2.0
220.08644	1.1
223.09712	3.0
231.08192	1.5
235.07497	2.2
235.09669	26.2
247.07553	1.7
247.09679	6.1
248.08417	1.5
263.07224	1.4
264.07767	1.6
265.07971	1.5
265.10745	27.5
288.97757	1.1
291.10205	2.3
307.09735	1.9
315.08527	5.3
319.09619	1.4
330.10962	6.9
331.11642	2.0
337.10828	1.3
339.12268	1.3
348.12296	1.6
351.12222	3.4
371.14938	3.0
383.14972	10.5
401.16113	8.9
413.07156	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12993	2.3
52.69751	2.1
53.03941	2.8
55.05513	14.7
57.03434	6.1
57.07096	2.0
58.92365	1.6
59.74889	1.8
61.02921	2.7
65.03931	2.1
67.05505	27.8
69.03424	6.0
69.07069	19.7
70.06582	6.3
70.69253	6.1
72.08154	3.4
73.01124	3.4
75.15440	2.0
79.05515	13.7
81.03416	3.1
81.07056	83.5
83.08614	8.2
85.02911	13.5
85.06543	8.3
86.09688	2.7
91.05462	10.1
93.07042	18.2
94.40503	2.3
95.08617	19.2
97.02891	3.3
97.06553	3.5
99.08096	88.9
102.17397	2.2
105.07010	16.2
107.08594	19.5
109.02870	3.6
109.10152	37.7
113.04216	9.3
113.09666	2.9
115.05470	2.5
117.07007	3.8
119.08592	14.9
120.08089	3.2
121.10146	23.0
123.11725	4.4
127.03880	5.8
127.11175	9.3
129.07018	5.2
131.08548	16.0
133.10135	29.7
135.11681	7.8
142.07779	5.8
143.08551	8.6
145.04958	4.8
145.10120	27.1
147.11670	22.4
149.13264	6.9
151.11186	6.6
155.08424	2.8
157.10133	42.3
159.11694	30.6
161.13277	6.6
169.10147	6.8
171.11769	11.8
173.13237	9.9
175.11198	11.3
183.11725	8.6
185.13246	7.0
187.14809	4.6
194.85896	2.1
197.13196	10.8
199.14798	6.9
201.16243	3.3
211.14844	13.6
213.16405	14.3
225.16307	2.9
228.56586	2.5
239.17947	10.9
253.19513	40.6
254.16200	2.4
255.21043	23.2
257.18903	5.5
271.20566	100.0
273.22189	10.0
277.16544	2.2
283.24136	10.9
301.25198	3.3
307.08575	2.2
381.31564	25.3
399.32559	51.4
417.33475	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3035
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.81152	1.1
54.58875	0.9
55.05518	13.0
57.03442	8.3
57.36895	1.1
67.05505	27.5
69.07067	12.7
69.91647	3.2
71.04957	2.3
71.08630	1.1
76.13091	1.1
79.05492	9.6
81.03429	6.9
81.07061	26.3
83.04982	1.4
83.08618	7.3
85.02892	2.0
91.05485	6.2
93.07039	8.7
95.08047	2.0
95.08615	21.4
97.06545	1.2
97.10201	3.2
98.98477	17.2
105.07041	5.3
107.08599	6.2
109.02926	6.0
109.10172	6.7
111.08170	1.5
113.04242	1.9
116.99466	1.0
119.08581	4.5
120.41369	1.1
121.10154	4.3
123.11732	2.9
125.47839	0.9
125.48920	1.1
127.03949	2.0
133.10135	2.8
133.98640	1.1
135.11673	1.7
137.09636	1.4
145.10123	1.3
147.07098	1.2
147.11655	1.6
155.00974	2.7
163.06049	1.9
163.11183	1.1
168.25034	1.3
169.10193	1.3
173.08054	1.1
197.13251	1.2
203.46806	1.1
215.68237	1.1
229.60100	1.1
245.22710	1.5
261.03757	7.0
263.23688	2.4
335.07263	2.3
337.27374	100.0
338.27908	2.9
433.20367	1.5
537.24689	3.3
597.26996	12.8
597.39417	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
56.97831	2.8
57.07055	4.2
58.99590	35.7
61.01155	5.4
65.03934	4.9
67.05503	18.1
69.03460	2.5
69.07070	78.9
70.06606	13.4
70.89943	6.4
72.00358	2.8
72.08163	4.5
73.01145	16.6
78.96778	5.7
79.05497	6.7
81.07052	4.3
84.04477	3.7
84.08146	5.3
85.01112	3.5
85.02909	4.1
85.06535	2.9
86.09705	12.6
87.02688	4.4
89.00650	2.8
90.01402	5.2
93.07042	3.9
95.04955	8.8
95.08706	3.5
96.05748	10.2
97.01093	3.9
97.06535	46.6
99.02676	13.5
101.04247	57.0
104.98330	7.2
105.07098	2.3
107.08617	3.8
110.93910	4.5
111.01920	4.2
111.02663	39.9
112.03454	25.2
113.04236	68.6
115.02153	8.6
115.07562	4.0
118.99905	3.2
119.08655	3.4
120.00693	4.7
120.08115	7.3
127.02142	5.8
129.03711	100.0
129.10257	4.0
130.04501	31.7
131.05254	18.1
131.08644	2.6
133.01405	8.9
136.95486	7.3
137.00883	4.0
142.99826	23.8
145.01448	3.7
147.04703	2.2
153.66241	2.2
161.00903	22.0
161.13269	3.9
165.27034	2.1
168.16904	2.2
168.98166	5.1
177.04018	8.9
191.00195	3.2
209.01221	31.7
255.21196	2.9
256.21350	2.8
273.22385	3.5
274.22516	3.3
299.02646	2.5
346.01358	2.3
434.33786	3.0
541.64191	2.7
546.43335	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	596.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01863	3.9
55.05502	12.7
57.03442	4.4
57.07072	5.8
62.45985	3.4
67.05170	5.4
67.05511	74.1
69.07069	15.6
70.80548	5.3
70.80879	6.5
71.04991	3.8
79.05495	48.1
81.07062	83.2
81.22030	3.1
83.05031	4.2
83.08627	10.1
85.06535	5.0
91.05478	25.9
93.07047	55.6
95.04993	4.6
95.08622	64.7
97.06537	4.5
105.07038	20.1
107.08611	30.6
109.02888	6.5
109.10148	26.8
111.04415	3.9
111.08080	4.4
113.04248	6.0
117.07014	9.8
119.08582	17.5
121.10159	30.9
123.11719	14.3
127.03919	6.2
131.08588	13.0
133.10176	20.9
135.11703	30.0
137.09674	4.3
137.13268	4.8
145.10147	20.6
147.11714	11.2
149.13278	14.4
159.11705	14.4
161.13274	8.9
163.14835	13.5
173.13306	16.8
173.38365	3.8
175.14923	5.0
177.16376	5.9
187.14790	8.3
201.16409	7.6
233.22614	4.0
243.21120	31.6
261.22153	100.0
267.25333	3.7
279.23199	5.6
335.25851	22.6
337.27438	7.8
353.26828	37.1
561.27521	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	596.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80122	0.8
52.16471	0.8
53.03938	2.2
55.01873	2.6
55.05518	8.7
57.03442	8.7
58.06595	1.1
60.04526	1.2
61.02925	3.4
66.97093	0.7
67.05518	1.1
69.03436	13.8
69.72125	4.6
70.06603	7.2
71.01364	1.3
71.04996	35.4
72.08152	2.8
73.02924	2.8
74.02425	0.8
74.06104	1.3
75.04491	4.4
76.02226	2.4
81.03423	5.6
83.04987	80.6
84.04517	5.9
84.05317	0.9
84.08144	4.1
85.02909	100.0
86.09695	5.2
87.04473	2.4
88.03993	1.5
91.03958	1.6
91.05485	12.6
95.01342	2.7
95.04980	1.5
96.08147	0.7
97.02278	1.6
97.02898	19.3
98.95998	0.8
99.02679	1.5
99.04499	4.0
101.06036	2.2
102.05527	1.2
103.03943	1.8
105.07031	1.9
109.02898	4.1
110.07185	1.5
111.04449	41.8
112.03970	0.8
113.06023	0.8
115.03885	0.9
116.05324	2.6
116.07114	1.3
117.06995	1.0
120.08141	4.4
125.06060	1.9
127.03929	17.2
128.07031	1.0
129.05487	50.8
129.10233	2.1
130.05016	0.9
133.06502	1.8
136.07602	2.8
136.70079	0.8
142.08656	0.7
145.04980	12.1
145.06212	0.9
145.06546	0.7
146.08147	1.4
146.18973	0.9
147.06531	21.5
151.03844	1.0
151.07596	1.2
153.05481	3.2
162.02094	1.0
163.06018	3.4
165.07628	1.5
167.84688	0.8
170.08218	1.7
173.09074	0.8
175.07584	1.7
177.05467	1.2
179.04892	2.1
191.05458	1.0
195.06406	1.3
197.04533	0.8
202.05217	1.2
215.05551	3.4
219.08009	3.1
225.07666	0.8
237.07663	8.8
243.08652	0.8
255.08659	11.8
273.09695	13.4
273.12283	0.5
308.09161	1.6
309.11856	7.0
317.06757	1.3
318.06894	3.0
348.12268	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	595.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01860	1.3
55.05507	2.1
57.03425	1.9
59.04999	0.6
60.50029	0.4
61.02934	2.6
65.03949	0.6
67.05515	3.4
69.03076	0.6
69.03429	8.5
69.07072	30.7
69.21681	1.9
69.22109	2.5
70.06598	5.3
71.05005	2.3
72.08149	1.1
73.02906	1.4
73.06558	3.6
79.05490	4.5
81.03413	4.4
81.07061	8.5
83.04958	0.6
84.04491	1.5
84.08149	2.0
85.02908	20.6
85.06558	1.2
86.06077	0.6
86.09701	4.1
87.04453	1.4
91.03941	1.5
91.05471	5.1
93.07052	6.7
95.04984	2.2
95.08608	8.3
97.02894	7.9
97.06526	7.2
99.02669	0.5
99.04458	1.6
99.08080	1.0
105.07037	18.2
107.04957	1.1
107.08604	6.9
109.02862	1.6
109.06515	9.0
109.10162	4.8
115.07576	18.8
117.06985	2.4
119.07794	0.7
119.08590	9.1
120.08098	1.3
121.06532	1.2
121.10143	4.4
123.08046	1.1
123.11712	2.2
125.09631	1.4
127.03918	4.5
127.07568	0.4
128.06242	0.5
129.06970	1.2
129.10219	1.4
131.08578	3.4
133.06491	0.6
133.10133	5.2
135.11714	3.1
136.07527	0.5
139.07483	0.6
142.07782	0.6
143.08560	3.4
145.04973	3.3
145.10133	5.4
147.04417	0.6
147.08017	0.7
147.11681	9.1
149.09633	1.8
149.13249	3.6
151.11150	0.5
155.08531	1.2
157.10158	4.9
159.09119	0.5
159.11699	5.3
161.09712	2.4
161.13258	69.1
163.11195	1.9
167.10666	7.7
169.10135	1.1
169.12201	0.5
171.11668	2.4
173.09642	0.6
173.13264	2.0
174.15598	0.4
175.11215	1.4
175.14760	0.7
177.12743	0.8
179.10641	3.6
181.12274	0.7
183.11678	1.9
185.13208	1.7
187.14835	1.1
189.12784	0.5
193.12271	0.7
195.11700	0.7
196.12376	0.7
197.13199	2.4
199.14847	1.9
201.16379	1.7
209.13297	0.5
211.14877	2.7
213.16411	1.4
215.17892	1.0
225.16348	0.9
227.18050	0.7
229.11885	0.8
229.15900	1.2
229.19614	0.5
243.21049	0.7
251.17964	0.5
253.19521	13.3
269.13809	0.7
269.19019	0.9
271.20554	14.5
283.24142	1.1
287.05502	8.0
287.20099	1.5
288.05920	0.5
288.20288	1.2
289.21625	100.0
290.21881	1.4
301.25311	1.0
317.06577	0.6
379.30167	0.5
397.30795	0.9
415.32071	3.0
433.33124	41.6
434.33511	0.9
451.26862	1.9
486.53482	0.5
523.33313	0.6
541.35034	0.9
559.36389	1.8
577.37854	0.6
595.38434	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	595.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73291	1.0
53.03944	2.4
55.05520	8.0
57.03445	8.0
67.05508	30.5
69.03429	1.2
69.07068	7.5
71.55573	1.2
73.94160	1.2
79.05501	18.6
81.03436	10.2
81.06583	1.6
81.07063	27.6
83.08621	2.9
85.02909	1.7
85.06551	1.6
91.05492	9.7
93.07056	20.0
95.04996	1.4
95.08614	21.5
97.06535	1.0
98.98475	22.9
105.07047	6.3
107.08603	9.2
109.02914	6.3
109.06546	1.3
109.10181	8.5
113.04246	1.7
117.06998	1.5
119.08582	4.7
121.10150	6.8
123.11720	2.5
131.08588	3.2
133.10144	3.6
135.11700	4.7
145.10191	1.3
147.11700	3.2
149.13281	1.5
155.01064	3.3
159.11691	2.2
161.13306	2.8
164.59250	1.3
166.00816	1.1
243.21130	2.2
261.03729	6.7
261.22122	3.7
317.24808	1.4
335.07458	1.9
335.25824	100.0
336.26108	3.1
417.56839	1.0
434.95035	1.1
457.67117	1.1
462.59311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.95333	0.4
52.89070	0.4
55.05504	0.7
57.03445	2.0
58.53794	0.4
60.19049	0.4
61.02921	0.5
61.20665	0.3
63.38923	0.4
68.99832	0.5
69.03429	1.2
69.39275	3.6
70.06600	2.7
70.80750	0.4
71.05000	11.6
72.08148	0.8
74.79060	0.4
81.03423	0.8
83.04971	0.7
84.04494	0.8
84.08138	1.6
85.02914	15.7
86.09710	1.6
86.45068	0.4
88.03984	0.6
97.02895	1.0
99.04501	0.4
100.85239	0.4
109.02889	0.8
111.00803	0.4
111.04445	0.6
120.08137	0.9
121.02900	2.0
127.03941	0.6
129.05486	3.3
129.10202	0.7
131.08687	0.4
133.02867	0.6
137.02368	0.5
145.04976	0.5
147.04456	0.7
147.06540	1.0
150.40747	0.4
153.01833	2.8
165.01859	1.3
183.02931	0.5
185.05942	0.5
213.05461	0.9
231.06435	0.5
241.04915	0.5
258.05234	1.2
287.05524	100.0
288.05841	1.4
329.06683	0.9
355.97498	0.4
449.10922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01868	4.4
55.05506	6.3
57.07065	7.6
59.05006	2.6
65.03937	6.2
67.05505	18.6
68.60818	1.8
69.03420	5.2
69.07065	10.3
70.15954	6.9
71.04997	2.0
79.05064	2.3
79.05496	33.1
80.24356	1.6
81.07060	29.8
83.04958	3.9
83.08609	5.0
85.06549	4.3
87.04494	2.1
91.05486	60.8
92.06237	2.2
93.07047	53.8
94.07819	1.8
95.04974	12.1
95.08605	27.6
97.02885	2.6
97.06506	2.0
103.05451	4.0
105.07038	76.4
106.07816	4.5
107.04929	4.7
107.08604	39.0
108.09382	3.4
109.02918	1.9
109.06531	10.1
109.10167	15.6
111.08066	2.8
111.91721	1.7
115.05450	11.3
116.06228	3.7
117.07032	34.4
118.07811	2.4
119.04961	2.9
119.08586	100.0
120.09356	6.7
121.06477	5.0
121.09293	3.1
121.10142	29.5
123.08063	5.1
123.11720	5.5
125.09630	3.1
128.06209	15.8
129.07011	30.7
129.33504	2.1
129.61256	2.0
130.07834	10.2
131.07588	2.6
131.08572	59.9
132.09302	5.7
133.06485	8.5
133.10136	64.3
135.08060	10.6
135.11694	16.0
137.05991	2.5
137.09608	3.9
141.07005	15.3
142.07780	22.0
143.08563	46.9
144.09358	16.9
145.06467	8.6
145.10123	75.8
146.07242	2.1
146.10863	2.7
147.08037	11.1
147.11716	18.3
149.05927	3.4
149.09602	6.7
149.13232	3.6
152.06163	3.0
153.06960	7.4
154.07706	5.3
155.08565	20.9
156.09322	22.1
157.06471	5.7
157.10138	51.9
158.10921	15.3
159.08073	8.1
159.11702	52.5
160.12440	2.3
161.06020	3.5
161.09624	6.5
161.13271	6.8
163.07622	3.3
163.11180	3.4
165.05653	3.6
165.07007	10.0
166.07732	6.0
167.08580	12.8
168.09349	9.9
169.06487	2.7
169.10144	29.1
170.10960	10.0
171.08075	5.3
171.11713	36.8
172.12424	4.7
173.05962	4.3
173.09621	6.0
173.13280	28.9
174.06705	2.3
175.04031	2.0
175.07535	3.5
175.11217	5.1
175.14836	24.1
177.05440	2.5
177.12753	8.2
178.07793	3.6
179.07019	5.9
179.08557	16.3
180.09323	10.0
181.08633	2.8
181.10120	22.0
182.10997	9.2
183.08093	6.4
183.11688	25.5
184.12421	6.5
185.09659	3.9
185.13266	19.3
186.10495	2.2
186.14020	3.9
187.07579	3.3
187.11224	2.5
187.14836	14.3
189.12750	3.3
190.07744	2.3
191.08577	3.8
191.14381	2.9
192.09373	8.0
192.15144	2.6
193.08623	2.3
193.10161	14.0
194.10907	11.5
195.08006	3.0
195.11705	24.4
196.12483	10.1
197.09590	4.4
197.13260	27.9
198.14050	6.0
199.07526	3.2
199.11185	4.1
199.14819	10.0
201.12758	7.2
201.16426	8.4
203.08545	2.0
203.14226	2.6
205.10199	3.0
206.10931	5.6
207.11661	15.6
208.12482	6.9
209.09654	3.3
209.13286	31.6
210.14044	5.2
211.05966	2.7
211.11183	3.8
211.14847	16.8
212.15535	2.2
213.12698	2.7
213.16389	2.9
215.10614	2.2
215.14304	4.2
217.10135	3.8
217.15874	12.9
219.11755	5.1
219.17407	4.4
220.08937	2.5
220.12471	5.2
221.13277	15.6
222.10385	2.3
222.13948	3.7
223.11188	4.1
223.14812	15.2
225.12784	3.7
225.16328	7.0
227.05502	7.6
227.14253	3.6
231.11729	4.0
232.12416	2.9
233.07870	2.8
233.13239	6.3
235.11295	4.6
235.14799	6.6
237.12846	3.2
237.16460	9.4
239.10660	4.3
239.17929	4.7
247.14948	2.9
248.15692	2.5
249.16443	4.7
251.17914	5.0
252.18637	2.9
253.12180	2.2
253.15944	3.8
253.19417	3.9
255.17398	4.6
257.18823	2.3
261.16406	3.3
263.10791	2.3
263.17908	3.6
265.12119	2.8
265.19473	4.8
267.13751	2.1
267.17484	3.2
269.18851	4.1
270.19647	3.3
271.20578	3.1
283.20520	8.2
284.21213	3.6
296.21265	3.7
301.19382	2.4
313.14301	2.3
319.16870	3.1
349.24960	2.6
362.26349	2.7
363.27014	4.0
383.18661	10.8
391.18912	2.3
407.18762	3.3
409.20074	4.2
424.22223	2.3
427.21054	4.5
443.21024	3.0
466.23816	3.2
487.23108	3.2
502.25690	9.6
576.30652	3.8
579.29474	3.3
594.31946	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	593.276
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
67.05468	0.2
76.20455	0.2
79.67242	0.2
95.08549	0.2
96.21585	0.2
98.20750	0.6
98.21452	0.8
107.39436	0.2
114.73315	0.2
120.08023	0.2
198.30711	0.2
222.11583	0.2
277.16495	0.2
285.13580	0.3
300.15051	0.3
314.16339	0.3
352.18204	0.3
361.43750	0.2
387.16153	0.4
388.17007	0.7
389.17920	1.3
390.18521	0.6
391.19156	0.3
401.17575	0.6
402.18311	1.1
403.19278	3.3
404.20059	1.3
405.20761	2.1
406.21933	0.3
415.19412	0.6
416.15344	0.3
416.20874	1.0
417.16583	1.1
417.21460	3.6
418.21881	2.2
419.22382	4.5
420.22882	0.3
421.24088	0.2
429.16183	0.3
429.21277	0.3
430.17313	1.3
431.18161	8.7
432.18762	2.7
433.24261	6.6
433.36523	0.3
434.24637	1.4
438.19675	0.2
444.19373	0.6
445.19907	10.9
446.20779	5.4
447.21741	5.8
449.23126	0.6
458.21439	0.3
459.21524	4.0
460.22598	11.6
461.23361	10.4
462.20178	0.3
462.23862	0.3
463.21207	0.5
473.23962	2.2
474.23950	0.7
475.25668	0.2
476.26334	1.0
477.22546	0.6
477.27701	0.3
487.25165	0.9
488.25571	0.3
489.26617	0.4
491.25229	1.2
492.25406	1.4
493.26016	0.4
503.20239	0.2
504.24423	0.2
505.22092	6.4
515.24854	0.4
518.22943	0.7
519.24213	0.9
520.24829	0.3
533.25513	26.0
534.25824	1.2
547.27130	0.4
549.21228	0.3
559.28052	0.2
561.25092	0.5
564.23621	0.8
565.27887	0.7
575.26172	0.3
593.27588	100.0
594.27917	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	593.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00835	0.4
55.05492	0.5
57.07067	0.4
67.05499	0.7
67.76011	0.4
69.07076	0.5
69.92351	1.9
71.08631	0.5
79.05482	0.6
81.07065	1.1
93.07043	0.5
95.08628	0.7
98.20930	0.6
109.10170	0.5
131.08519	0.4
135.94513	0.5
143.59343	0.4
249.79684	0.4
262.22702	0.5
313.27151	0.7
351.10907	0.4
389.17682	1.5
402.18472	1.3
403.19324	3.3
404.19940	1.2
405.20886	2.1
416.20224	1.2
417.21420	4.4
417.59256	0.4
418.22125	2.1
419.22391	3.5
430.17932	0.8
431.18204	7.9
431.23486	0.6
432.19501	2.1
433.19080	0.7
433.24103	8.7
434.24515	1.2
445.19980	8.9
446.20786	4.5
447.21643	5.7
449.23486	0.5
459.21475	2.7
460.22470	13.3
461.23322	11.7
462.23770	1.1
473.24048	2.0
474.24222	0.9
476.26004	1.3
477.27112	0.5
487.24933	0.9
489.26361	0.9
491.24768	0.7
492.25177	1.2
505.21649	4.5
506.22537	0.7
518.22736	0.8
519.24139	0.9
533.25513	48.8
534.25739	1.8
535.98303	0.4
547.27148	0.7
564.23285	0.7
565.28040	1.1
575.26837	0.4
579.11249	0.5
593.27612	100.0
594.27966	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	592.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99591	8.5
70.06586	28.2
71.55204	9.1
73.01139	34.3
76.02235	7.9
84.04508	24.4
84.08160	10.7
86.09690	21.8
97.06550	7.4
99.00639	7.4
99.02706	9.5
102.45109	7.7
112.47990	7.9
113.04231	28.2
116.05325	18.8
121.01421	16.5
124.07606	6.8
170.08115	15.7
179.04964	9.3
184.17641	8.8
202.05403	13.5
202.21696	15.0
219.07964	16.2
246.24333	100.0
293.81226	8.6
307.83893	7.7
348.12375	9.6
483.17010	8.8
498.95020	7.6
601.33630	7.8
608.94128	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	592.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82154	1.0
51.16641	1.1
55.01878	9.8
55.05499	2.5
55.18816	1.3
56.05051	6.0
57.57339	1.2
58.06598	13.6
58.99586	19.7
61.01139	7.1
65.03923	2.0
67.05500	2.7
68.05024	3.4
69.07066	3.1
70.06597	14.4
70.70003	3.3
72.08134	1.9
73.00775	2.0
73.01147	24.9
74.00652	4.3
74.02444	3.3
76.02231	19.8
76.04001	2.5
79.05485	4.0
80.00483	1.1
80.05011	1.5
81.07053	16.4
82.06586	3.7
83.06085	1.5
83.07351	2.1
83.08617	1.9
84.04505	100.0
84.08142	6.2
85.02884	2.2
85.04022	1.6
86.09702	3.8
86.99039	3.0
87.02702	3.8
88.02193	2.0
92.53294	1.1
96.07560	1.5
96.08141	22.7
98.06102	1.2
99.02677	48.9
101.04256	6.9
104.98317	29.0
107.99406	2.5
112.03973	25.9
113.04229	7.9
115.05800	37.6
115.06620	2.2
116.01673	14.7
116.05318	71.3
116.07071	17.6
120.08122	1.9
124.07595	17.5
126.03744	2.5
126.09144	4.9
129.06587	3.5
129.10263	1.8
130.05009	15.5
131.04485	1.7
142.03259	7.6
142.04977	1.2
142.08640	14.2
144.01158	4.9
144.04779	4.7
145.02998	1.2
146.48355	1.2
147.02974	52.8
147.04156	2.5
148.02467	2.4
156.04712	1.4
160.00677	2.5
162.02193	12.0
170.02710	1.4
170.08127	96.2
172.15814	1.3
177.03299	3.5
177.05450	1.7
179.03397	2.1
179.04846	25.0
182.06323	3.3
202.05322	53.4
211.02086	3.6
213.12291	1.6
217.06375	1.4
219.07990	94.8
221.04861	14.4
227.08513	1.6
229.06374	2.7
245.05949	4.5
245.09605	6.0
251.05188	4.6
255.08020	1.9
273.09058	16.1
285.03955	2.8
291.06458	3.6
305.06082	1.6
308.09186	2.3
325.07028	3.6
330.11145	4.8
331.09787	1.3
348.12231	75.0
349.12778	1.3
365.96231	1.5
379.08771	1.4
380.09372	4.3
388.15436	1.2
422.14053	1.6
454.11398	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	592.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.7
55.05505	2.1
56.05042	6.9
57.22962	1.3
58.06610	12.0
58.99587	15.9
59.96822	1.4
61.01150	7.3
65.03941	3.7
66.72622	1.2
67.05506	4.2
68.05019	2.0
69.03444	1.8
69.07076	3.5
70.06248	1.6
70.06603	20.4
71.56150	1.8
72.08166	4.2
73.01144	24.0
74.00658	4.3
74.02437	4.9
74.02824	1.5
74.06108	1.7
76.02232	20.4
76.04018	1.4
79.05506	3.5
80.05038	1.6
81.07073	10.4
82.06574	3.5
83.06139	2.3
83.07329	1.9
83.08609	2.7
84.04513	95.3
84.08150	9.3
85.02898	3.2
85.04051	1.2
86.09718	9.7
86.99063	2.4
93.07040	1.8
95.04970	1.3
96.08138	18.8
97.06542	1.3
99.02692	48.1
101.04259	5.6
104.92863	1.5
104.98332	23.5
107.99387	2.1
112.03978	27.7
113.04250	7.5
114.03757	1.3
115.05807	28.0
116.01674	14.0
116.05326	68.8
116.07085	20.3
118.99866	2.6
120.08124	5.3
124.07613	17.6
126.03767	2.9
126.09163	3.4
126.22654	1.1
127.02157	1.7
127.03853	1.4
129.06638	2.9
129.10262	4.2
130.05020	14.8
133.10168	1.4
135.20908	1.2
142.03232	6.0
142.08636	11.1
144.01175	4.3
144.04790	4.0
145.01491	1.7
147.02989	34.3
147.04150	2.2
152.98643	2.6
153.05508	1.4
160.00648	3.3
162.02214	10.1
166.51675	1.2
170.02734	2.1
170.08139	82.9
172.04305	2.1
177.03319	4.9
179.00238	1.9
179.04881	24.2
182.06453	3.7
185.09386	1.3
202.05354	49.2
211.02075	2.2
219.08011	100.0
221.04854	12.2
229.06351	3.6
245.05746	3.2
245.09605	5.3
251.05243	5.9
273.08981	15.2
285.04059	2.5
286.12155	1.6
291.06366	3.0
305.06125	1.6
308.09528	1.9
310.13019	1.2
325.06955	3.3
330.11322	3.0
348.12265	68.8
349.12778	1.4
380.09335	4.9
388.15295	1.9
454.11447	8.0
454.17056	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23384	1.0
55.01872	4.9
55.05521	2.3
56.05043	4.0
58.06601	15.7
58.99595	19.4
59.22580	1.0
61.01154	10.0
65.03933	1.7
67.05498	3.8
68.05039	2.7
69.03441	1.3
69.07070	3.7
70.06603	10.6
71.22127	1.3
71.22440	1.2
72.08153	1.3
73.01145	24.2
74.00673	3.7
74.02437	3.9
75.02726	1.2
76.02235	18.4
76.04012	1.9
78.96792	2.0
79.05488	5.2
80.13255	1.4
81.07069	20.5
82.06584	3.7
83.06123	2.9
83.07368	2.4
83.08620	2.5
84.04510	100.0
84.08147	6.6
85.04030	1.3
86.09705	2.4
86.99054	2.8
87.02708	5.1
88.02184	1.2
88.08769	1.1
91.09888	1.2
95.75990	1.0
96.08137	21.7
99.02143	0.9
99.02685	40.5
101.04227	7.9
104.98324	41.3
107.40218	1.2
107.99409	2.7
110.93946	2.3
112.03980	24.0
113.04240	6.7
114.03783	1.3
115.05801	45.7
116.01678	13.7
116.05327	68.2
116.07082	19.3
118.99893	1.6
120.08089	1.5
121.01460	1.4
124.07615	19.0
126.09180	4.1
129.06627	2.8
130.05005	16.9
131.08563	1.1
142.03250	8.4
142.08646	13.5
144.01160	5.1
144.04816	3.9
145.06119	1.8
147.02977	67.5
148.02486	1.3
152.98642	4.4
160.00650	3.9
162.02216	13.6
170.02722	1.7
170.08139	91.5
177.03342	4.7
179.04858	27.6
181.06163	1.4
182.06377	3.6
194.34943	1.2
202.05344	55.5
211.02115	3.2
219.08000	89.6
221.04881	18.7
229.06409	3.0
233.05951	1.8
245.05971	4.0
245.09529	5.9
251.05287	7.2
256.22488	1.1
273.09027	13.0
285.03986	3.3
291.06366	2.8
305.06070	1.8
308.09070	3.7
325.07083	3.1
330.11166	4.7
348.12268	83.8
379.63281	1.2
380.09485	4.9
388.15161	2.2
422.14215	3.1
454.11203	10.9
491.96515	1.2
563.62189	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
53.46583	1.5
55.05273	1.1
55.05517	17.0
57.03443	9.8
57.07079	39.7
57.31746	1.1
65.03928	3.4
67.05508	57.6
67.39584	1.7
69.07069	16.1
70.85828	2.6
70.86150	1.6
71.04981	2.0
71.08276	2.0
71.08635	25.0
74.68508	1.5
79.05064	2.0
79.05499	35.7
81.07060	69.7
82.70815	1.6
83.08631	14.5
85.06543	2.7
85.10193	12.1
85.97852	1.1
91.05486	17.6
93.06467	2.4
93.07048	46.1
94.94466	1.3
95.04967	2.9
95.08611	57.6
97.06539	2.4
97.10152	6.1
105.07034	14.1
107.08606	24.4
109.01690	1.2
109.09458	2.1
109.10164	27.6
117.07018	5.6
119.08576	11.9
121.10149	20.7
123.11713	10.6
131.08578	13.6
133.10100	9.3
135.11684	16.2
137.13223	4.4
139.01862	1.4
145.10132	9.4
147.11693	7.8
149.13257	12.9
151.14806	1.6
156.69212	1.1
159.11723	8.8
161.13249	6.0
163.11195	1.4
163.14810	7.2
173.13252	7.4
175.14813	3.8
177.16400	2.9
181.16000	1.4
187.14838	5.8
195.72223	1.3
233.22658	3.1
234.36473	1.2
239.23741	6.1
243.21132	12.7
257.24808	2.2
261.22150	65.2
279.23172	2.2
299.23593	2.0
313.27368	100.0
314.27945	1.8
317.24792	12.8
335.25809	64.7
336.25958	1.4
492.41229	1.3
573.48779	17.9
591.50000	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	590.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.6
57.27728	0.2
58.06612	0.3
60.08168	5.8
61.21250	0.2
67.05502	0.2
69.16192	0.1
69.24471	1.5
71.07377	3.5
74.26160	0.2
83.08659	0.2
83.60781	0.2
86.09711	30.7
93.07057	0.2
95.08617	0.3
98.98473	3.3
104.10756	2.9
107.08596	0.4
109.10134	0.2
121.10023	0.2
123.08089	0.3
125.00014	21.5
134.31230	0.2
136.05104	0.2
143.01115	0.4
184.07353	100.0
185.07698	0.6
258.10974	0.3
572.37531	0.9
583.79492	0.2
590.38080	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	591.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.9
56.05040	36.8
57.05824	2.0
57.07072	3.5
60.89919	1.1
61.01156	26.7
68.05029	2.6
69.07057	4.7
70.02953	13.2
70.06604	8.7
71.28111	2.5
72.08160	100.0
74.06068	3.9
75.02697	1.2
81.07066	1.1
82.06557	2.1
84.04492	4.3
84.08153	9.1
85.02888	1.4
86.09715	41.9
87.05598	28.3
88.03993	18.3
93.07026	1.1
96.04499	3.8
97.04010	3.3
98.02435	8.2
101.07134	2.7
102.05496	1.3
104.05338	63.9
110.02400	3.2
110.06036	1.7
110.07177	1.6
110.09687	38.0
113.07118	2.3
114.03738	1.5
115.05057	2.8
117.03728	1.7
119.08490	1.0
120.08103	1.4
123.05531	1.2
124.03947	3.1
124.11242	1.1
125.03488	2.0
125.07076	2.0
127.03917	1.2
127.08677	2.2
129.10249	3.5
132.10194	8.5
136.07579	1.1
139.05040	5.2
140.14381	1.5
141.06631	2.4
141.10228	4.5
141.84422	1.1
142.06142	1.4
143.04524	8.5
150.01852	1.1
153.06395	1.2
155.04498	1.4
155.11801	80.4
156.04721	1.9
157.06099	4.3
158.10042	7.2
159.05891	1.4
162.02243	1.5
166.08652	5.9
167.04517	4.8
168.02908	1.3
169.09744	1.5
170.05569	1.4
170.08128	1.2
171.04030	1.2
172.11452	1.1
173.05675	1.3
173.07402	1.3
181.06139	2.1
183.11351	1.7
184.07191	13.2
185.05583	9.5
186.12349	3.2
195.04042	1.7
201.06937	3.3
201.12320	5.1
202.08273	11.9
203.12143	57.4
211.11009	1.1
212.06673	3.0
212.09120	2.8
213.05112	3.0
214.08968	2.2
217.06427	1.4
229.06470	3.5
229.11739	2.3
230.07732	54.3
231.11641	38.2
238.11719	1.3
246.09076	12.5
247.12947	9.8
248.08667	2.2
257.11234	1.6
263.10275	2.4
267.09613	2.1
280.12823	3.1
281.11349	1.3
285.10846	1.5
296.08682	1.4
298.13950	2.9
326.13470	3.4
327.11874	5.4
328.18945	1.4
343.16110	10.1
344.09103	1.8
344.14563	10.1
345.15933	16.3
361.11847	10.1
361.17133	29.7
429.17938	4.5
434.84021	1.3
442.22491	1.9
443.16046	1.8
457.17456	2.2
460.18665	19.6
461.17157	3.0
474.19739	1.4
475.18491	4.2
492.21100	9.2
528.24670	3.9
545.27203	1.8
546.26068	1.3
574.25476	4.3
591.28217	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	590.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01873	1.9
55.05512	11.7
57.03441	9.6
59.05001	0.8
61.01139	1.1
61.02917	3.5
61.08606	1.0
65.43605	0.9
69.03429	11.4
70.06592	8.3
71.01366	1.0
71.04999	37.3
71.54105	1.1
72.08157	9.4
73.01127	0.9
73.02908	2.5
75.04485	4.6
81.03439	5.1
81.07043	1.0
83.04987	84.6
84.04504	3.2
84.08163	4.2
85.02909	100.0
85.88185	0.9
86.09716	9.3
87.04476	2.6
91.03979	2.4
93.07052	1.2
97.02901	17.8
97.04922	1.0
99.04485	4.9
101.05995	1.6
103.03892	1.0
104.05357	1.4
106.74920	0.8
109.02877	5.3
110.07192	1.3
110.09708	1.3
111.04447	39.8
111.05214	2.1
118.08681	1.0
120.08129	2.4
121.06483	1.2
127.03928	16.2
129.05487	48.2
129.10263	2.0
136.07594	2.6
145.04967	15.8
146.08133	2.1
147.06526	21.9
155.11786	3.6
163.06052	3.1
203.12160	3.7
209.08044	1.4
231.11702	1.8
237.07571	7.9
255.08658	9.6
273.09738	12.0
303.05109	1.6
304.05438	2.0
309.11688	4.3
360.15845	3.6
457.91708	0.9
573.13068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.50537	0.5
55.01657	0.6
55.01875	5.7
55.05519	5.6
57.07080	13.3
67.05507	9.3
69.07069	6.5
71.00980	1.1
71.08633	8.1
79.05492	6.4
79.28301	0.5
81.07063	34.9
83.04986	2.7
83.08624	4.7
85.10188	4.6
91.05497	2.3
93.07062	4.1
95.04948	0.9
95.08046	0.9
95.08609	12.0
97.06548	1.0
97.10152	1.4
105.07042	3.5
107.08610	4.0
109.06527	11.7
109.10168	5.1
111.04456	14.9
113.35099	0.5
117.07024	0.9
119.08586	4.7
121.10156	3.9
123.08063	1.8
123.11722	2.3
125.05979	3.7
125.13328	0.6
131.08585	1.7
133.10155	4.6
135.08058	2.0
135.11705	4.5
137.05984	100.0
137.13292	1.4
138.06384	1.1
143.08595	1.4
145.10117	2.0
147.08043	1.6
147.11697	6.5
149.09621	3.9
149.13295	0.9
151.07530	2.7
151.11189	1.4
157.10149	2.3
161.09631	6.8
161.13277	2.1
162.77510	0.6
163.11188	3.6
165.09082	2.7
165.12799	0.8
171.11697	1.1
175.11182	4.9
175.14920	0.9
177.12724	0.9
179.10695	1.8
189.12785	1.5
193.12303	0.8
203.14229	0.7
203.17992	6.2
205.19608	0.9
213.16411	3.2
221.19063	1.6
231.17432	7.2
239.23689	0.9
241.15904	0.9
249.18495	8.5
277.17996	46.7
295.19043	11.3
409.69455	0.5
589.44653	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	588.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01859	1.8
55.05520	9.1
56.05035	4.5
57.03436	8.8
61.01138	1.1
61.02922	2.1
67.05508	1.3
69.03434	10.7
69.83349	5.2
70.06591	14.2
71.01408	1.1
71.04996	34.0
72.08157	12.4
73.02922	3.3
75.04482	5.8
76.72958	1.1
81.03435	6.1
83.04985	80.4
84.04523	6.3
84.05302	1.7
84.08150	16.4
85.02910	100.0
86.09714	11.9
87.04474	3.2
88.03981	1.3
88.19540	1.3
97.02897	19.1
99.04464	4.1
101.06001	2.8
102.05551	2.8
103.03942	2.4
104.05341	1.5
109.02875	5.8
110.07171	3.5
111.04449	38.4
113.95876	1.2
120.08118	3.4
127.03922	18.4
128.07106	1.4
129.05490	41.9
129.10229	11.0
145.04976	14.2
146.06335	2.3
146.08182	1.5
147.06534	22.6
163.06053	3.6
192.72812	1.4
201.12405	1.3
214.39395	1.3
237.07622	8.0
255.08681	10.7
273.09616	9.6
291.17810	1.2
303.05136	2.7
309.12100	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	586.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	13.9
56.05037	3.6
57.03441	6.3
58.06597	2.5
58.99584	1.6
61.02936	1.9
61.16362	1.3
67.05503	2.3
68.05036	1.8
69.03435	48.9
69.07050	1.5
69.26331	4.9
69.26746	8.0
70.06598	16.7
72.08171	7.5
74.00672	6.6
75.01438	1.2
76.02218	2.5
76.03998	4.7
78.89487	1.4
79.05482	5.2
81.03414	1.9
82.06578	3.1
83.01352	2.1
83.04984	2.1
83.06109	1.3
83.07365	6.0
84.04511	57.8
84.08146	7.2
85.02911	50.6
85.04028	15.1
86.00655	1.8
86.09701	8.4
88.95184	3.9
95.01339	86.6
95.04974	9.7
97.02896	3.4
97.06533	8.8
99.04445	1.4
100.04025	2.0
101.07165	1.9
102.05480	1.8
103.03964	2.7
104.07099	1.4
105.97849	78.3
107.04958	3.9
110.07166	2.0
112.03980	16.9
113.02381	2.1
113.03478	4.7
113.05994	3.3
114.05620	1.4
116.01672	1.7
116.07077	2.2
120.08105	1.3
122.09480	1.2
122.93939	13.9
123.04433	5.3
124.03954	1.3
124.07625	1.5
125.06004	71.5
127.03909	4.4
129.06627	2.4
129.10240	3.5
130.05014	82.1
131.04539	33.6
131.05518	1.8
136.07593	1.4
137.05980	4.8
138.05492	1.3
139.96587	43.1
141.05573	2.7
142.04973	1.6
143.04561	4.5
143.07010	4.1
151.03891	2.4
153.05482	55.7
153.06519	2.0
155.08173	3.2
156.06598	1.9
160.00653	1.9
162.02206	5.0
173.09218	3.7
177.03314	5.3
179.03409	1.4
179.07076	2.7
181.06133	1.4
187.05728	2.0
199.07124	2.5
205.97635	12.8
209.00539	6.8
210.01091	1.6
214.07149	2.2
215.05513	31.3
225.96619	4.2
233.97127	6.5
242.99297	100.0
258.09766	14.9
268.73627	1.7
278.99194	2.5
283.02460	11.0
297.00388	8.0
309.00381	4.6
317.99344	1.7
336.00278	2.0
339.06436	1.5
345.98700	3.2
354.01364	38.8
355.01050	5.3
355.09265	1.3
363.99750	7.7
372.03488	5.1
385.75809	1.4
387.13913	2.7
397.27841	1.4
403.01035	2.2
424.14404	2.0
439.02979	9.2
457.04059	96.0
458.04361	2.6
511.05164	20.6
569.05573	3.4
586.08313	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	585.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	1.1
69.07063	1.3
71.55797	1.0
79.05511	1.4
91.05473	1.2
93.07058	0.8
96.29614	0.8
99.44906	1.0
109.10086	1.0
113.04227	4.7
125.06086	0.8
145.01512	1.2
158.09666	0.9
159.09233	1.1
160.09958	2.7
177.78156	0.9
187.12297	1.8
197.10806	1.9
209.10776	1.5
210.11525	1.9
211.12431	1.1
213.10211	1.5
216.10393	2.4
223.12338	3.7
225.13945	2.2
230.11897	3.2
235.12357	1.0
236.13040	1.4
237.13876	2.6
242.10434	1.8
245.10510	2.5
252.11351	1.3
253.13416	1.9
255.11171	1.2
269.13040	1.0
276.12308	1.1
281.12997	1.8
282.13477	6.7
282.16315	4.6
283.14523	2.6
298.15323	1.3
301.11990	1.8
302.16614	1.2
304.11789	10.6
308.17657	3.0
316.14462	2.1
319.13132	4.5
319.16418	1.2
328.14667	1.0
330.16092	3.2
331.16629	1.2
332.17618	1.2
343.12918	2.2
344.17697	1.8
358.19260	2.0
361.18130	1.3
374.15100	3.0
375.15805	2.1
388.16855	1.9
389.17441	4.6
390.17993	3.3
404.19724	7.7
418.21609	1.0
434.17822	1.6
437.19373	1.2
438.20337	1.6
448.18967	2.6
462.20206	5.6
463.20999	10.1
464.21625	1.3
483.23941	2.3
508.22571	1.3
511.23782	1.8
512.24329	1.1
555.22534	1.3
567.26208	1.6
568.24628	1.9
569.24701	1.0
570.24744	4.9
585.27106	100.0
586.27789	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	585.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68731	1.1
61.90416	1.1
69.07071	1.2
69.98458	2.7
69.98853	1.8
81.07030	1.2
89.96705	1.2
103.76091	1.0
106.06586	1.4
106.51308	1.1
113.04239	9.3
127.17045	1.0
181.07512	1.1
183.09247	1.9
197.10794	3.5
199.08615	1.1
209.10710	6.9
210.11459	3.6
211.12346	4.3
212.12953	1.4
217.09747	1.3
223.12425	1.5
224.13052	1.1
225.10287	4.4
226.10989	2.0
227.11717	2.5
229.13525	1.3
237.10231	4.4
238.11041	4.6
239.11855	4.9
240.12556	2.2
241.13390	1.6
242.10529	1.9
251.11745	1.8
253.13362	2.3
255.11459	1.8
255.14546	1.2
256.12201	1.4
257.12857	1.3
265.13254	1.1
267.11301	1.1
269.12750	5.6
271.11639	1.6
271.14490	8.9
279.11380	1.5
281.12726	1.1
285.12418	2.6
286.13107	3.0
297.12366	38.9
298.12643	2.1
299.13879	37.9
300.14453	1.5
301.12131	2.0
301.15417	2.3
315.13678	1.3
316.14511	4.6
316.17862	1.4
317.15070	1.4
328.14490	2.6
329.15619	1.5
330.16016	4.0
331.16940	5.7
332.17172	1.3
344.17618	13.8
346.19281	3.4
360.20874	4.5
390.18167	4.0
404.19528	6.0
419.22293	1.7
437.19824	1.4
449.19455	1.4
462.20187	15.8
463.21014	9.2
464.22354	1.5
467.24393	1.4
585.27087	100.0
586.27393	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.9
53.03944	2.1
55.05509	7.7
57.07078	11.4
59.05006	3.2
65.03947	3.8
67.05507	15.8
69.03434	4.9
69.07078	9.3
69.91582	2.4
69.91993	5.4
71.08626	2.6
79.05499	18.9
79.88120	1.2
80.06277	2.2
81.07063	22.1
83.04987	5.1
83.08604	5.1
84.12565	1.2
85.06541	5.3
87.04478	1.6
89.06052	10.5
91.05489	31.8
92.06262	1.7
92.61254	1.2
93.07050	45.1
95.04978	7.9
95.08613	25.8
97.06551	4.9
103.05466	3.6
103.47038	1.3
105.07037	52.7
106.07857	2.8
107.08603	31.0
109.05882	1.3
109.06503	7.5
109.10171	12.5
111.08163	1.7
115.05488	2.8
117.07015	16.2
119.08590	72.4
120.09367	5.0
121.06522	5.5
121.10151	21.7
123.08073	11.2
123.11720	3.8
125.05988	4.6
128.06235	7.4
129.07014	14.0
130.07761	5.2
131.08586	35.9
132.09335	2.6
133.06506	2.6
133.08591	4.0
133.10139	32.4
135.08058	9.5
135.11722	12.4
137.05975	2.8
137.09607	7.9
139.11232	1.8
141.06992	6.2
142.07777	16.8
143.08569	35.3
144.09384	13.1
145.06477	2.4
145.10132	43.8
146.10843	2.8
147.08032	17.0
147.11693	13.6
149.09637	7.4
149.13271	2.5
151.07556	7.6
153.07048	2.8
154.07803	1.6
155.08543	13.2
156.09348	15.0
157.10155	52.1
158.10959	8.7
159.08070	6.4
159.11716	27.3
160.08910	1.5
160.12428	1.8
161.09659	9.0
161.13292	8.5
163.11159	10.1
165.06992	3.4
165.09122	26.8
166.07889	1.4
167.08591	7.9
168.09358	5.7
169.10133	21.7
170.10927	9.6
171.11696	27.6
172.08784	1.7
172.12473	6.4
173.09648	5.8
173.13286	16.9
174.14056	1.5
175.11215	12.8
175.14824	10.4
176.11937	1.6
177.09140	1.9
177.11327	1.9
177.12784	3.7
179.08562	7.7
180.09369	4.0
181.10126	12.5
181.12221	5.8
182.10878	7.5
183.11707	23.2
184.12431	4.7
185.09677	2.8
185.13274	16.6
186.14093	2.0
187.11156	4.2
187.14862	9.1
189.12732	6.4
190.13554	4.4
191.10597	2.4
191.14244	2.9
192.09332	2.1
193.10150	6.4
193.12251	9.7
194.10942	4.8
195.11745	14.7
195.13515	2.3
196.12529	4.4
197.09636	1.7
197.13295	17.4
198.10477	2.3
198.14050	2.8
199.11156	4.5
199.14894	7.8
200.15590	2.3
201.12779	6.9
201.16342	2.5
203.14337	15.9
205.12317	1.4
206.10960	3.3
207.11739	9.4
207.13838	7.0
208.12486	4.3
208.14479	3.4
209.13235	12.9
210.13925	3.9
211.11137	3.0
211.14864	8.8
212.33896	1.3
213.12714	3.5
213.16386	3.8
215.14391	1.9
217.15933	2.5
219.11746	3.4
219.13866	3.9
220.12575	1.7
221.13263	7.3
221.15347	48.8
222.13934	2.4
223.11191	2.9
223.14850	12.7
225.12793	3.0
225.16385	5.2
227.14264	2.5
231.11975	2.0
233.13268	2.5
233.15384	1.9
234.14017	2.6
234.16078	9.4
235.14819	7.5
236.15564	2.4
237.12790	6.3
237.16364	5.4
238.17191	1.9
239.14314	2.2
239.17999	2.8
243.13902	1.7
245.15337	2.4
247.14859	3.1
247.16978	10.4
249.12852	1.6
249.16351	3.1
250.17157	1.8
251.17987	3.3
253.15979	3.5
253.19675	1.6
255.17451	2.5
257.19000	2.2
259.14648	2.4
259.17068	2.8
263.17999	3.6
265.19547	4.0
271.17075	2.7
271.20657	1.7
273.18658	1.5
274.19287	2.2
281.15930	1.4
281.19037	3.9
285.18585	2.6
286.19498	3.3
287.19922	2.1
289.19611	1.9
291.20950	2.4
296.21292	3.4
297.21851	1.6
298.19214	1.9
299.20172	10.1
300.20844	3.2
300.28976	2.8
309.18716	1.7
309.21982	1.4
311.20166	2.1
311.29437	1.9
312.20880	2.7
312.24442	2.8
319.20709	1.7
325.21756	9.7
337.21533	8.2
352.23987	63.5
365.24844	14.0
371.22629	2.3
376.27673	1.7
378.25574	2.5
383.25995	2.7
391.26199	4.0
397.27136	2.3
398.28140	6.8
404.31000	7.1
409.27878	1.5
411.29108	2.4
412.29593	14.7
425.30264	4.2
438.31360	11.5
489.33881	6.5
490.35233	2.0
491.35226	11.7
492.35660	3.7
504.36008	100.0
505.36346	2.1
566.40369	2.5
569.40100	3.9
584.42206	18.5
584.55774	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	584.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.9
55.05509	8.8
55.66383	1.9
57.07082	14.8
65.03918	2.9
67.05513	17.8
69.03427	7.0
69.07076	12.7
70.06574	2.3
70.74548	5.7
77.03934	1.8
79.05495	22.4
81.07057	27.7
81.20715	2.1
82.07384	2.5
82.57182	1.8
83.04972	4.3
83.08611	4.6
85.06528	5.5
89.06036	14.7
91.05489	37.8
92.06297	1.8
93.07046	46.0
93.42561	1.7
94.07352	2.3
95.04961	7.9
95.08611	32.0
97.06519	4.9
98.21107	2.9
102.84873	1.7
103.05453	4.1
105.07035	72.3
106.07839	2.9
107.04927	1.9
107.08606	38.6
109.06532	10.0
109.10159	17.3
111.08019	2.4
115.05453	3.9
117.07020	20.6
119.08586	91.6
120.08734	2.0
120.09447	3.1
121.06490	4.1
121.10154	25.2
123.08076	12.4
123.11710	5.6
124.56375	2.0
125.05948	3.3
125.09517	2.4
128.06213	8.4
129.07036	16.2
130.07809	9.8
131.08586	43.1
132.05705	1.9
132.09325	4.2
133.06482	2.1
133.08665	8.7
133.10144	40.6
134.10757	2.4
135.08101	10.4
135.11684	14.0
137.05972	5.2
137.09619	12.9
139.07561	2.0
139.11191	3.6
141.06964	8.8
142.07790	17.8
143.08571	38.6
144.09323	8.5
145.06535	2.2
145.09041	3.3
145.10135	52.5
145.11282	3.0
146.10744	4.6
147.08041	18.2
147.11696	14.0
149.09625	10.9
149.13251	2.7
151.07520	7.8
151.11169	4.0
153.06938	2.6
154.07814	2.8
155.08565	13.2
156.09387	16.2
157.10132	54.7
158.10970	9.0
159.08035	7.0
159.11702	39.8
160.12286	2.2
161.09605	6.4
161.13234	7.4
163.11163	8.1
165.07005	2.7
165.09126	29.4
167.08522	7.5
168.09354	6.2
169.10141	21.6
170.10947	10.3
171.08057	2.3
171.11710	29.2
172.12402	7.7
173.09601	5.4
173.13249	20.5
175.11215	13.8
175.14864	11.6
176.15125	2.1
177.09024	2.5
177.11230	4.0
179.08595	7.2
180.09315	2.9
181.10152	12.5
181.12192	8.0
182.10861	4.6
183.11726	23.6
184.02222	1.8
184.12399	4.9
185.09639	3.9
185.13268	17.6
186.13989	1.9
187.11203	4.9
187.14792	9.5
189.12692	8.0
190.13516	5.5
191.14224	2.9
192.09363	2.4
193.10074	8.5
193.12018	9.2
194.10898	7.6
195.11732	15.3
196.12350	5.7
197.09750	3.8
197.13210	24.3
198.13948	4.1
199.11169	4.7
199.14786	8.2
201.12727	5.2
201.16386	4.9
203.14336	14.7
204.96089	1.9
205.10114	2.5
206.10825	2.3
207.11676	7.7
207.13779	10.3
208.12419	5.2
208.14507	4.6
209.13351	17.5
210.14009	2.9
211.11203	3.8
211.14812	12.5
213.12711	5.4
213.16367	4.6
215.14261	4.1
217.15918	4.3
219.11720	3.9
219.13786	4.5
221.13280	6.7
221.15359	52.4
222.13939	4.1
223.11179	3.8
223.14790	14.2
224.15417	2.9
225.12677	4.6
225.16377	3.2
227.14285	4.0
229.15898	2.3
233.13229	4.7
233.15416	4.5
234.16107	8.3
235.14777	7.4
236.15355	2.5
237.12683	5.1
237.16356	5.3
239.14281	3.1
246.13930	2.6
247.14973	3.4
247.16983	8.0
248.15439	2.8
249.16545	3.3
251.14281	2.5
251.18013	2.9
253.19502	2.9
255.17459	2.3
256.26373	3.5
257.18979	2.1
261.16376	3.8
263.18008	4.5
265.16040	1.9
265.19418	4.3
266.07486	2.0
271.16910	2.8
274.19333	3.0
279.17401	2.8
281.18774	3.4
283.20697	2.5
283.26147	2.9
286.19089	4.3
296.21249	2.6
297.18552	2.5
299.20068	15.1
300.20844	2.1
300.28876	6.2
309.22165	2.5
311.29449	6.5
312.20856	2.5
312.24518	2.2
319.20499	3.5
325.21564	9.1
337.21545	8.2
338.32422	2.0
339.23132	2.3
351.23288	2.7
352.23969	72.1
365.24673	12.2
371.22714	3.1
383.25693	2.2
391.26099	2.9
397.27081	3.2
398.28073	5.6
404.30731	5.9
411.28757	2.1
412.29825	14.5
423.28732	3.0
425.30515	6.0
431.29028	2.2
438.31342	10.3
463.69733	2.1
489.33514	7.4
491.35098	11.9
492.35663	5.2
504.35986	100.0
505.36353	3.1
544.90375	2.0
566.40692	3.8
584.42224	25.5
584.56018	22.0
585.27081	2.6
585.41736	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	584.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01868	4.9
55.05513	10.7
57.03428	7.2
57.07079	3.4
59.04993	2.4
61.02919	7.3
65.25672	1.8
67.05505	13.0
69.03436	23.4
69.07069	10.7
70.06599	13.9
70.83844	6.0
71.04998	10.7
72.08155	9.4
74.06098	2.2
79.05503	11.1
81.03414	7.9
81.07063	29.4
81.44566	1.8
83.01325	2.6
83.05008	11.9
84.04514	3.8
84.08138	5.8
85.02911	100.0
85.06538	5.6
86.09736	9.8
87.04498	3.9
91.03953	4.0
91.05488	10.4
93.07043	15.2
95.04995	10.4
95.08618	23.8
95.99429	1.8
97.02905	25.3
97.06012	1.8
97.06543	14.2
99.04459	31.8
99.08100	4.2
105.07043	19.3
107.08614	26.9
109.02906	10.8
109.06516	12.7
109.10163	43.4
110.07151	6.2
111.08056	11.0
113.06025	3.0
113.09560	2.2
119.08575	26.7
120.08102	2.0
121.10153	60.3
123.08078	44.5
123.11705	13.6
124.03943	3.3
125.05984	3.1
125.09628	4.5
125.46101	2.2
127.03928	26.6
127.07622	3.7
128.53061	1.8
129.10237	4.6
131.08627	3.1
133.10149	9.7
135.08043	6.2
135.11726	11.0
136.07585	3.4
137.05948	5.0
137.09627	19.0
137.13277	10.6
141.09076	3.5
145.04971	30.4
145.10126	8.7
147.08038	3.9
147.11694	27.1
149.09651	21.1
151.07584	6.7
151.11185	14.5
153.12784	2.8
156.09302	3.9
159.08209	2.3
161.09508	2.7
161.11975	3.6
161.13264	52.1
163.06020	8.1
163.11195	24.5
165.12761	14.3
167.10710	3.1
169.08635	3.1
169.12271	6.8
171.11691	6.4
174.10416	3.9
175.79868	2.6
177.12808	2.4
179.14368	19.9
181.12221	14.8
182.32068	2.1
189.12746	39.4
205.07155	2.7
207.13832	61.4
225.14871	72.8
243.15950	85.8
245.81445	2.2
258.84137	2.5
567.01111	2.2
574.06738	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.0
54.61795	1.9
55.01875	2.8
55.05304	1.6
55.05519	14.3
57.07076	10.1
59.05007	3.7
59.27136	1.8
65.03934	3.7
66.11714	2.1
67.05513	26.0
69.03442	9.9
69.07074	21.1
69.28856	18.5
71.04987	3.0
79.05498	31.4
81.03403	2.5
81.07060	43.6
83.04977	7.2
83.08627	11.5
84.24458	1.9
85.06548	7.3
89.06023	1.9
91.05489	47.5
93.07056	58.7
95.04972	11.9
95.08609	34.3
97.06541	10.7
97.10194	2.8
98.21587	2.3
103.05418	2.5
105.07037	72.9
107.08604	55.7
109.06519	9.3
109.10166	27.3
111.08098	4.6
111.11737	2.4
113.09678	2.5
115.05452	4.5
116.06247	2.9
117.07031	20.3
119.06084	2.3
119.08591	84.7
121.06501	6.5
121.10147	54.2
123.08073	12.5
123.11736	9.8
125.05997	2.3
125.09641	6.0
128.06219	11.3
129.06989	20.2
130.07770	9.0
131.08582	44.9
133.07629	2.4
133.10138	45.9
135.08076	8.6
135.11685	16.7
137.09622	8.4
139.11230	4.0
141.06998	11.1
142.07788	29.7
143.08566	45.4
144.09358	10.4
145.10135	57.2
147.08032	11.3
147.11688	18.7
149.09634	10.7
149.13318	2.9
151.07544	7.9
151.11308	2.1
153.07022	4.3
154.07739	3.3
155.08574	23.8
155.10632	3.9
156.09341	16.0
157.10135	61.1
158.10910	9.2
159.08096	8.4
159.11725	32.4
161.09637	4.8
161.13309	8.5
163.11197	5.9
163.14874	2.7
165.07031	8.0
165.09164	13.4
167.08598	9.8
167.10667	35.3
168.09332	6.3
169.10146	33.1
170.10867	8.9
171.07991	2.3
171.11697	36.1
173.13251	30.4
175.11218	6.6
175.14856	14.1
179.08557	13.1
179.14246	1.9
180.09363	7.9
180.10814	2.1
181.10143	16.2
181.12242	4.4
182.10928	8.8
183.11713	30.0
184.12469	8.0
185.09573	3.0
185.13275	17.7
186.13936	2.4
187.14836	9.6
189.12776	6.0
189.16478	2.8
191.14357	7.6
192.09402	5.8
193.10187	16.2
194.10924	10.5
195.11691	19.8
196.12445	5.8
197.13254	23.1
198.13849	2.0
199.11201	2.9
199.14839	24.4
201.16428	6.5
203.14351	6.9
205.10088	4.1
206.11028	7.7
207.11736	17.8
207.13727	5.4
208.12419	8.0
209.13251	26.3
209.15063	2.6
210.14040	4.0
211.11147	3.9
211.14806	13.9
212.15588	2.3
213.12823	3.5
213.16370	3.3
214.10760	2.1
215.14395	4.9
217.10097	3.0
217.15907	19.5
218.10880	3.4
219.11725	6.6
219.17493	3.9
220.12480	4.8
221.13277	18.3
221.15427	28.6
222.14006	4.5
223.14832	11.2
224.15495	4.5
225.16412	8.1
227.14456	2.9
229.16002	3.0
231.11731	6.1
232.12466	3.5
233.13255	9.1
233.15439	18.0
234.13991	5.0
235.14862	13.0
236.15479	4.1
237.12662	3.4
237.16391	11.7
239.14296	2.3
239.18002	4.0
241.15900	2.8
243.11736	3.6
244.12625	2.7
245.13216	8.2
246.13971	6.4
247.14868	8.8
247.17123	3.0
248.15645	3.4
249.12654	1.9
249.16431	7.3
251.14334	2.2
251.17976	4.5
253.19617	2.3
255.11696	2.0
255.17412	3.3
257.13419	2.3
257.19019	6.1
258.14178	3.8
259.14862	5.9
260.15543	3.5
261.16367	9.8
262.17041	2.5
263.14645	2.1
263.17941	8.6
265.19574	8.7
267.17517	2.8
269.19043	6.3
271.14700	2.1
272.15680	2.5
273.16476	4.6
275.17883	9.8
277.16183	2.1
277.19553	4.1
283.14615	2.2
283.20538	12.5
285.18799	2.7
289.19681	5.4
291.21213	2.7
293.18909	2.6
295.20541	2.8
303.21158	2.7
315.21170	2.4
317.22714	3.0
331.24231	3.0
335.23508	2.4
347.23636	3.2
349.25299	6.8
361.25009	2.7
365.24850	2.5
375.26886	5.6
403.30194	4.8
491.35229	6.2
547.39215	4.5
565.40405	16.6
583.41382	100.0
584.41998	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.5
51.06217	1.2
53.03945	4.2
54.24590	1.2
55.05508	8.0
57.07079	6.5
59.04993	3.2
67.05518	14.5
69.03429	5.4
69.07072	15.2
70.81898	1.6
70.82229	2.4
71.05017	1.4
79.05495	16.3
81.07065	23.6
83.04986	4.8
83.08631	5.6
85.06558	4.3
86.05917	1.3
91.05488	30.0
93.07053	40.6
95.04971	8.5
95.08614	26.5
95.09221	1.3
97.06548	5.8
103.05479	2.4
105.07037	52.4
107.08600	28.8
109.06525	5.6
109.10157	13.4
111.08083	2.2
111.11697	1.3
114.42120	1.3
115.05449	3.1
115.32475	1.4
116.06259	1.9
117.07030	10.9
119.08593	51.9
121.06507	3.7
121.10150	42.2
123.08086	12.4
123.11716	5.8
125.09695	3.4
128.06239	7.9
129.07013	10.4
130.07826	6.3
131.08575	22.3
133.06517	3.1
133.10152	25.9
135.08052	5.5
135.11702	10.8
137.09639	7.9
139.11227	2.4
141.07022	5.0
142.07797	15.0
143.08582	26.0
143.23997	1.4
144.09344	6.0
145.10136	38.0
147.08086	7.6
147.11717	11.8
149.09622	6.7
149.13268	3.1
151.07542	11.9
153.07004	2.1
154.07813	2.0
155.08575	12.6
155.10631	1.9
156.09355	11.6
157.10143	35.2
158.10962	5.1
159.08090	3.7
159.11703	18.4
160.08943	1.7
161.09674	4.3
161.12105	1.4
161.13272	6.0
163.11211	5.3
165.07057	5.2
165.09114	13.0
166.07808	2.3
167.08592	8.3
167.10683	21.5
168.09399	5.0
169.10127	19.0
170.10895	7.0
171.11703	20.7
173.09621	4.0
173.13272	16.6
175.11209	1.9
175.14838	6.4
179.08594	8.7
180.09407	3.6
181.10103	10.4
181.12262	3.0
182.10881	6.0
183.11696	18.2
184.12453	3.5
185.13266	13.7
185.15887	1.5
187.11235	2.4
187.14859	4.8
189.12820	3.7
191.08646	2.0
191.14378	5.4
192.09386	3.6
193.10155	9.4
193.11752	1.1
194.10956	6.8
195.11707	17.4
196.12508	4.8
197.09692	2.0
197.13252	15.7
199.11378	1.9
199.14819	12.2
201.16473	3.6
203.08827	1.3
203.14430	4.7
205.10226	2.9
206.10974	5.2
207.11768	12.3
207.13846	4.5
208.12569	4.6
209.13278	17.5
209.15099	1.9
210.14084	2.5
211.11276	1.8
211.14769	8.7
213.12860	2.6
213.16425	2.2
215.14421	5.5
217.10168	2.4
217.15924	4.4
217.62254	1.4
218.10907	2.5
219.11713	6.1
219.17496	1.6
220.12495	3.7
221.13295	11.6
221.15446	23.7
222.13983	3.0
223.14810	12.5
224.15651	1.5
225.12830	2.3
225.16438	4.9
227.14407	2.8
229.15857	1.6
231.11755	4.0
232.12491	2.6
233.13272	6.7
233.15446	9.4
234.14096	3.1
235.14842	7.8
236.15608	1.5
237.12846	2.2
237.16344	6.9
239.18082	2.9
243.11732	2.1
243.17522	2.3
245.13373	5.2
246.14081	3.6
247.14833	7.6
247.17006	1.5
248.15591	2.7
249.16382	6.4
250.17238	2.2
251.14456	1.4
251.17993	7.9
253.19611	2.1
255.11627	1.6
257.19180	4.2
258.14276	2.1
259.14838	2.6
260.15753	3.4
261.16290	6.2
263.17996	7.5
265.16098	1.4
265.19638	5.1
269.18961	4.1
271.14880	2.9
271.20480	2.4
272.15820	1.5
273.16418	4.2
275.13623	1.7
275.17911	5.9
276.18936	1.7
277.16528	1.4
277.19562	3.8
279.20993	1.8
281.18915	1.7
283.20636	7.9
285.16217	2.0
287.17618	2.6
287.20395	1.9
289.19592	2.3
290.20209	1.5
291.21109	2.7
293.18991	3.1
295.20663	3.1
297.22046	1.8
299.20432	1.8
301.19421	2.7
307.20499	2.0
315.21194	1.8
316.21872	1.6
329.22726	2.1
331.24255	2.0
333.22244	2.8
337.25156	1.6
347.23911	3.6
349.25287	4.7
361.25284	2.6
373.25104	1.4
375.26886	4.8
401.28168	1.9
403.30072	6.5
427.30234	2.3
491.35007	3.7
509.34082	2.6
547.39526	4.3
565.40375	21.0
583.41498	100.0
584.42059	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73536	2.0
53.03936	6.1
55.05516	20.1
57.07085	11.5
59.05000	4.5
60.31647	2.1
62.37431	2.0
65.03939	4.8
67.05510	26.2
69.03431	7.7
69.07071	18.1
70.81982	5.3
79.05502	35.1
81.07068	33.6
83.04975	9.7
83.08631	8.6
85.06548	8.0
91.05493	59.2
93.07053	62.8
93.07631	4.2
95.04950	11.0
95.08615	37.0
97.06557	6.4
98.20720	2.1
103.05482	5.9
105.07040	84.6
107.05022	2.4
107.08604	49.9
107.09291	3.7
109.06544	9.3
109.10170	22.7
111.08086	3.3
115.05501	6.8
116.06211	2.5
117.07018	19.7
117.16739	2.0
119.08594	96.0
121.06513	4.6
121.10156	50.6
123.08074	21.3
123.11711	6.0
124.30702	2.0
125.06010	4.4
125.09665	4.9
128.06233	13.8
129.07021	23.0
130.07799	10.2
131.08585	44.3
131.09523	3.5
133.06520	3.0
133.10139	47.2
135.08051	11.6
135.11743	15.5
137.06009	2.1
137.09650	15.3
138.16275	2.2
141.06989	13.3
142.07799	31.3
143.08574	49.0
144.09366	8.1
145.06487	3.3
145.10138	59.0
147.08070	22.7
147.11717	15.4
149.09624	11.1
149.13278	4.2
151.07550	17.5
151.11154	2.4
153.07083	6.6
154.07802	5.3
155.08575	22.2
156.09361	21.7
157.10156	58.9
157.49159	2.3
158.10907	9.9
159.08105	4.8
159.11714	29.8
161.09656	6.3
161.13293	9.7
162.78789	2.2
163.11198	10.0
165.07025	7.5
165.09128	34.0
166.07834	5.7
166.97214	2.0
167.08620	12.6
167.10684	11.5
168.09377	11.2
169.10133	33.6
170.10887	10.9
171.11710	37.8
173.09679	5.5
173.13274	28.6
175.11211	6.2
175.14864	12.3
178.07672	2.5
179.08560	22.6
180.09415	9.0
181.10181	19.3
181.12242	5.3
182.10939	14.5
183.11722	37.3
184.12535	9.8
185.13292	22.4
187.11246	4.3
187.14867	8.9
189.12813	5.4
191.14334	8.3
192.09383	7.1
193.10143	22.0
194.10884	13.8
195.11697	26.7
196.12538	8.1
197.13275	23.9
198.13924	2.9
199.11258	2.1
199.14822	16.4
201.12799	2.6
201.16307	2.9
203.08583	2.5
203.14302	17.8
204.09329	3.6
205.10185	5.1
206.10956	7.5
207.11760	27.8
207.13866	8.2
208.12532	11.6
209.13290	28.5
209.15167	2.8
210.14023	5.4
211.11162	2.5
211.14801	12.0
212.15637	2.7
213.12772	2.5
213.16385	5.4
215.14450	3.2
217.10190	5.0
217.15892	12.1
218.10939	4.4
219.11737	8.2
219.13821	2.6
220.12512	9.8
221.13298	19.5
221.15442	67.3
222.14064	6.4
223.14847	16.4
224.15681	2.9
225.16447	4.6
227.14368	3.0
229.15981	2.7
230.10931	2.6
230.43840	2.4
231.11758	8.6
231.13829	2.9
232.12508	5.4
233.13271	13.2
233.15460	6.8
234.14101	5.2
235.14841	15.0
237.16463	11.0
239.18031	7.8
241.15961	2.7
243.11829	3.1
244.12521	3.6
245.13258	10.1
246.14064	6.4
247.14839	9.6
247.17084	3.6
248.15625	4.2
249.16495	10.5
251.17993	9.2
257.13257	2.6
257.18893	10.6
258.14166	3.8
259.14966	6.7
260.15717	4.3
261.16370	12.2
263.18011	7.2
265.19669	9.6
269.19034	5.0
272.15430	2.8
273.16211	5.0
274.17230	2.6
275.17947	14.2
277.16031	2.0
277.19604	6.1
281.18945	3.0
283.20633	14.8
284.15515	2.0
287.17557	3.3
287.20334	2.7
289.19736	5.3
291.21063	3.6
295.20667	3.3
297.22421	4.5
300.20953	2.9
301.19357	3.1
303.21158	3.6
307.20746	4.1
309.16394	2.2
313.80380	2.1
317.22775	2.6
319.20563	2.1
321.22180	2.3
331.24304	6.9
335.24033	2.7
341.23050	2.2
347.23627	3.5
349.25195	9.4
359.23941	2.2
365.24887	4.3
375.27066	7.6
403.30096	5.2
491.35226	6.7
503.35550	4.3
509.34406	3.1
565.40332	21.2
583.41510	100.0
584.41455	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.2
53.03941	5.3
55.01857	2.2
55.05510	10.4
57.04853	1.7
57.07082	9.7
59.05001	3.2
65.03949	3.1
67.05510	20.5
68.88907	1.6
69.03437	6.5
69.07071	9.6
69.39964	12.0
77.03938	2.8
79.05502	15.6
81.07062	27.0
83.04985	5.9
83.08626	7.6
85.06533	7.7
88.57604	1.4
91.05486	36.2
93.07051	47.2
95.04965	9.7
95.08614	29.6
97.06539	3.4
97.10159	2.2
103.05452	2.4
103.63737	1.5
105.07043	58.1
107.08607	29.1
109.06528	9.3
109.10161	15.2
111.08162	1.9
115.05476	4.9
116.06240	2.2
117.07010	12.6
119.08588	60.3
121.06528	4.1
121.10143	35.1
123.08057	14.7
123.11752	3.8
125.05994	2.0
128.06200	11.5
129.07007	13.2
130.07791	7.5
131.08572	23.9
133.06482	3.0
133.10144	31.0
135.08072	8.5
135.11711	11.6
137.09589	10.5
139.11137	1.8
141.06097	1.7
141.06978	9.0
142.07811	20.5
143.08565	27.6
144.09332	6.6
145.10129	36.6
147.08055	16.2
147.11678	11.7
149.09645	5.1
149.13187	1.8
151.07545	19.4
151.08461	1.7
153.07018	2.5
154.07820	2.1
155.08566	14.3
156.09361	15.2
157.10150	35.8
158.10924	6.1
159.08055	4.4
159.11700	21.7
161.09653	6.9
161.13275	5.5
163.11220	5.1
165.07051	4.9
165.09126	28.2
166.07802	3.2
167.08615	7.6
167.10754	10.7
168.09317	7.7
169.10155	19.8
170.10976	7.3
171.11705	26.9
173.09621	2.4
173.13289	15.2
175.11240	2.3
175.14903	6.8
178.07823	2.0
179.08588	13.0
180.09384	3.5
181.10156	14.9
181.12251	5.8
182.10884	8.4
183.11703	21.0
184.12526	2.9
185.09663	1.9
185.13289	12.9
187.11206	2.8
187.14844	6.6
189.12814	6.2
191.14323	4.3
192.09358	3.8
193.10170	14.2
194.10898	10.4
195.11723	14.6
196.12524	7.4
197.13251	14.4
199.11334	1.9
199.14865	12.4
201.16472	2.0
203.14404	15.2
205.10226	2.8
206.10988	7.0
207.11736	17.4
207.13838	6.9
208.12508	7.4
209.13292	20.8
209.15170	3.1
210.14029	3.7
211.14763	8.7
212.11942	2.1
213.12909	2.5
213.16415	3.1
215.14403	3.9
217.10216	2.4
217.15944	6.9
218.10887	1.8
219.11754	7.5
220.12573	5.2
221.13269	15.7
221.15445	51.8
222.14079	2.0
223.11252	2.4
223.14841	12.5
224.15529	2.7
225.16470	4.4
227.14365	2.7
231.11870	5.2
232.12495	2.4
233.13277	9.2
233.15483	4.2
234.14046	3.9
235.14912	8.4
237.16360	9.8
239.18045	2.3
243.17471	1.8
245.13359	5.3
246.14011	3.7
247.14871	6.5
247.17142	2.6
248.15685	1.8
249.16431	7.6
250.17369	2.9
251.18045	5.6
253.19748	2.7
257.13330	4.0
257.18945	8.6
259.14914	5.7
260.15695	3.1
261.16452	8.2
262.17273	2.3
263.18008	5.3
265.19644	5.6
269.19067	5.6
270.14209	2.3
271.20691	2.7
272.15952	2.3
273.16397	5.0
274.17081	3.5
275.17957	9.7
277.19574	4.5
279.21255	3.3
281.19229	2.7
283.20590	10.6
287.20343	3.2
289.19510	4.4
291.21130	2.7
293.19019	1.9
295.20639	2.1
297.22220	4.6
300.20831	2.9
303.21390	1.7
315.21133	2.3
331.24274	5.3
347.23773	2.7
349.25345	5.9
357.26102	1.9
365.24933	3.5
375.26974	8.8
403.29843	9.0
460.93036	1.8
491.35333	5.5
503.35083	4.0
509.34219	2.4
525.36914	2.0
546.88574	1.9
565.40320	21.0
583.41486	100.0
584.41565	4.0
613.85065	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.05513	8.1
56.96493	1.3
57.07067	5.6
59.18568	1.3
64.56355	1.2
65.03949	1.4
67.05516	12.3
69.03421	6.7
69.07087	8.2
70.22057	5.5
75.62411	1.7
79.05491	12.0
81.03400	1.4
81.07068	13.4
83.04996	2.2
83.08614	5.2
85.06534	2.4
85.10986	1.4
91.05479	18.0
93.07054	29.1
95.04977	6.1
95.08614	27.9
97.06531	4.9
105.07040	36.2
107.08601	20.2
109.06516	3.9
109.10167	11.9
115.05507	1.9
117.07079	9.2
119.08595	33.3
121.06517	4.3
121.10154	18.4
123.08080	14.1
123.11695	2.5
125.09661	1.9
128.06224	4.1
129.07021	5.4
130.07776	1.6
131.08575	12.5
133.10135	15.1
135.08073	5.7
135.11697	6.1
137.09631	9.3
139.11218	3.7
141.06992	4.0
142.07813	8.4
143.08595	13.7
144.09305	3.9
145.10141	23.1
147.08067	16.3
147.11734	5.5
149.09671	4.7
149.13339	1.7
151.07547	17.4
153.07065	2.3
154.07721	1.8
155.08586	7.3
156.09364	6.7
157.10139	28.0
158.10962	2.0
159.08110	2.9
159.11723	14.6
161.09641	5.0
161.13277	4.0
163.11201	4.5
165.07004	3.5
165.09128	30.3
167.08595	3.6
168.09280	2.0
169.10149	11.0
170.10945	3.1
171.11717	17.1
173.13290	10.0
175.11249	2.4
175.14845	5.6
179.08614	4.3
180.09279	3.2
181.08810	1.6
181.10153	7.0
181.12221	4.9
182.10977	2.7
183.11711	9.7
184.12527	1.8
185.13298	10.8
187.14931	4.1
189.12785	5.3
191.14345	2.5
192.09416	2.4
193.10081	6.9
194.10970	5.0
195.11731	11.2
195.13394	1.9
196.12485	4.2
197.13260	15.5
198.13922	1.4
199.14850	5.6
203.14357	11.6
206.10985	3.2
207.11755	6.5
207.13852	8.7
208.12502	3.9
209.13310	14.0
211.11279	2.2
211.14844	7.3
213.16563	3.1
215.14404	2.1
217.10263	2.0
219.11850	2.3
219.17430	1.6
221.13269	6.6
221.15349	49.2
223.14839	8.7
225.12775	2.2
225.16458	3.0
227.18153	1.5
231.17534	3.4
233.13304	3.3
235.14868	4.9
237.16409	2.5
245.13332	1.9
246.14136	1.9
247.14828	3.9
247.17097	3.3
248.15710	1.8
249.16547	1.6
251.18074	2.1
253.19516	2.5
257.19339	2.3
259.14737	2.4
261.16440	2.7
263.17932	2.7
265.19501	2.9
269.19070	2.0
271.20526	2.8
275.17862	3.4
277.19479	3.8
279.21152	2.2
281.18890	2.0
283.20584	3.3
287.20328	2.4
295.20618	3.1
297.22159	4.0
299.20001	1.6
315.21094	1.7
333.22198	1.9
349.25183	2.2
352.23926	2.2
357.26044	2.3
365.24896	2.2
375.26971	6.6
385.28760	1.7
403.29904	8.3
491.35004	3.1
503.35358	5.5
509.34274	2.7
547.39325	2.4
565.40497	28.9
583.41461	100.0
584.42059	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97107	1.1
53.03954	1.6
53.47731	1.2
53.62646	1.0
55.05499	4.0
56.51164	1.1
57.07079	7.5
58.19441	1.0
59.05000	2.7
66.63902	1.1
67.05511	12.3
69.03436	4.8
69.07072	7.1
69.49659	6.3
69.50069	2.1
70.85363	1.1
79.05490	13.1
81.07060	14.3
83.04946	2.5
83.08614	2.6
85.06544	2.7
86.83961	1.3
87.67064	1.3
91.05484	17.5
93.07053	27.8
93.40263	1.1
95.04971	6.7
95.08619	22.7
97.06530	2.6
98.57444	1.1
103.05515	1.9
105.07042	34.4
107.08601	17.4
109.06528	3.7
109.10186	9.5
115.05526	2.0
117.07046	3.4
119.08585	28.9
121.06541	2.7
121.10153	19.7
123.08080	18.7
123.11703	2.9
125.09672	1.2
128.06241	4.1
129.07059	7.0
130.07811	1.8
131.08571	12.3
133.06441	1.4
133.10147	15.3
135.08078	6.2
135.11719	7.4
137.09612	8.1
141.06996	4.3
142.07784	8.8
143.08572	13.7
144.09355	2.7
145.10143	17.7
147.08055	14.8
147.11699	6.5
149.09665	3.8
149.13344	1.8
151.07532	19.8
153.06995	2.0
153.09178	1.6
155.08557	5.9
156.09341	6.9
157.10136	22.5
158.10902	1.9
159.08070	2.2
159.11702	12.4
161.09650	3.2
161.13258	4.5
163.11203	2.9
165.06990	2.9
165.09132	31.3
167.08569	3.2
168.09381	3.4
169.10184	10.2
170.10954	4.7
171.11681	15.7
173.09700	2.8
173.13258	9.8
175.11229	2.2
175.14861	3.6
177.09084	1.9
179.08624	4.8
180.09319	2.6
181.10147	8.1
181.12270	2.4
182.10910	3.9
183.11722	12.1
184.12506	4.1
184.29039	1.3
185.13269	14.5
187.11235	2.0
187.14882	2.7
189.12733	4.3
191.10602	1.2
191.14406	1.7
193.10179	5.4
194.10922	4.5
195.11684	10.1
196.12425	2.8
197.13240	10.8
199.11334	1.3
199.14870	4.8
203.14307	15.1
205.10187	2.1
206.10861	2.3
207.11716	6.5
207.13878	5.2
208.12430	2.8
209.13318	11.4
210.14063	1.7
211.14824	5.5
213.12784	2.1
213.16472	3.0
217.10220	1.4
219.11748	3.0
220.12582	2.2
221.13268	8.1
221.15349	53.8
222.15822	1.5
223.14877	7.1
225.16414	3.2
227.14328	2.0
231.11757	2.7
231.13988	1.3
231.17467	2.9
233.13333	3.5
235.14867	5.2
236.15787	1.3
237.16449	3.4
239.17944	1.7
245.13286	3.1
246.14063	1.9
247.14745	2.3
247.17061	3.0
249.16432	4.0
251.18037	2.7
252.18517	1.3
257.18921	2.7
259.14789	2.2
260.15619	1.8
261.16519	3.3
263.17865	2.9
265.19574	3.2
269.18958	1.9
271.20572	2.2
275.17902	2.3
277.19513	2.1
279.21036	2.7
281.18982	1.5
283.20563	3.6
287.20169	2.3
289.19455	2.0
295.20642	4.0
297.22211	3.7
299.20209	2.2
329.22610	1.7
349.25278	2.7
357.25784	2.5
365.24509	2.4
375.26877	5.2
388.28082	1.3
403.29922	11.0
491.34723	1.9
503.35092	6.0
547.39349	3.2
565.40405	29.1
583.41455	100.0
584.41760	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	583.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82934	0.4
69.61732	3.1
70.06565	0.5
81.03367	1.2
91.05485	0.7
98.21474	0.8
106.06512	0.7
108.74421	0.4
113.04234	1.0
120.08095	0.6
120.30115	0.5
145.07571	1.2
167.07079	1.5
174.09137	0.5
182.09656	1.8
183.09114	0.7
185.10802	0.5
195.09145	2.0
196.09914	1.6
197.10712	1.2
198.09145	0.6
198.11420	0.5
199.12227	1.2
204.08981	1.0
208.09778	0.6
209.10747	16.2
210.09300	0.8
210.11510	8.5
211.08704	2.0
211.12210	1.4
212.09435	1.5
212.13011	0.7
213.10277	0.9
221.10669	0.6
223.08693	0.6
223.12352	1.6
224.09413	1.0
225.10201	5.0
225.13815	0.6
226.10982	1.3
227.11819	3.7
234.08905	0.5
236.09537	0.7
237.10243	8.2
238.10974	8.5
239.11827	3.0
240.12503	0.9
241.09752	0.5
241.13306	0.5
249.10249	0.6
251.11748	2.5
252.12564	1.6
253.09688	1.7
253.13260	2.6
254.10396	0.5
255.11411	1.1
257.12836	0.9
267.11237	0.6
269.12854	8.9
271.10825	2.2
271.14456	1.1
279.11185	2.2
283.10934	1.0
284.11511	1.2
285.12411	1.3
297.12341	89.0
298.12735	1.8
299.13852	6.2
299.19504	0.6
300.14642	0.8
314.13040	0.9
315.13870	0.7
316.14468	0.9
328.14465	0.8
329.15018	0.5
330.16000	1.7
342.16046	0.6
390.16550	0.5
406.14102	0.6
406.19299	0.9
407.18729	1.2
421.16177	1.1
435.18045	2.5
436.18878	1.3
448.19293	0.6
449.19717	1.6
450.20395	1.7
451.21088	1.9
463.20840	0.8
465.22861	1.9
495.20157	0.6
509.21729	0.7
510.21927	0.7
523.23248	1.0
565.24506	2.1
566.22894	0.8
583.25513	100.0
584.25970	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	583.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48087	0.4
69.83285	1.5
69.83693	0.8
71.30024	0.4
76.61376	0.3
79.18849	0.4
81.03440	2.0
91.05506	1.0
113.04247	1.3
130.06560	0.4
133.10135	0.6
134.06081	0.6
144.08080	1.0
151.07579	0.8
157.08939	0.7
158.09631	0.9
159.09238	0.5
167.07097	2.5
168.07440	1.3
171.10457	1.0
172.07634	0.4
186.09213	0.8
194.08186	0.5
196.91444	0.4
197.10847	0.6
203.09505	0.6
204.10295	1.7
207.09106	0.8
209.10777	0.9
213.10316	1.2
214.19556	0.5
216.10239	3.4
217.08635	0.5
217.10965	0.6
220.09755	0.9
223.12328	1.0
227.11856	1.0
230.11842	4.6
232.13499	0.5
235.12375	1.3
236.09731	1.0
236.11923	1.1
237.10410	0.6
242.10612	1.5
245.10489	1.9
246.11363	1.4
250.09816	1.2
250.13435	0.6
251.11809	5.1
252.15012	0.9
255.11189	0.6
258.11337	1.9
260.11426	1.0
261.13901	1.1
263.11862	0.9
264.11328	0.9
265.12048	2.0
276.11786	1.2
278.12921	1.0
280.14471	7.6
283.10806	1.2
284.11639	0.9
286.13589	0.6
291.13867	0.7
292.14456	0.7
294.12354	1.0
296.13943	1.5
299.15295	0.6
300.11224	0.5
301.11990	1.9
304.11792	13.1
306.15961	4.2
307.16785	1.3
311.15121	0.5
314.12906	1.4
314.16360	0.9
315.13773	0.6
316.14230	0.5
319.12939	3.7
326.13055	0.9
327.14059	0.6
328.14517	2.7
328.17773	0.5
329.15448	0.6
330.16101	1.2
340.14575	1.1
341.15591	0.6
342.16013	2.9
343.13034	2.8
343.16849	1.2
344.17661	0.9
354.16031	0.8
356.17639	3.9
357.18369	0.6
358.15405	0.5
358.19370	0.7
359.16180	0.6
366.15945	0.5
370.19141	0.5
372.13458	0.8
373.14203	1.2
374.14804	3.9
384.17554	0.6
386.15179	1.3
387.15683	4.1
388.15485	0.5
389.17288	0.8
393.17502	0.5
400.16592	0.7
402.18121	10.0
403.18658	0.9
404.17639	0.5
406.19080	0.8
407.18750	0.9
414.18069	0.7
415.18857	0.6
418.18320	0.4
420.15573	0.7
421.20422	1.2
423.21890	0.7
432.16763	0.5
434.17627	1.3
435.18130	1.9
436.19119	2.5
446.18451	0.8
447.18805	0.6
449.19720	1.0
450.20572	0.7
451.21774	0.7
452.19403	0.5
462.21777	0.5
463.21448	0.6
464.21585	0.5
481.22620	3.1
491.20340	0.5
492.19543	0.5
493.19257	0.6
495.19864	1.2
506.20316	0.6
508.21283	0.6
509.21909	2.5
510.22327	0.5
521.25226	0.9
523.23486	0.7
547.23370	0.6
553.20581	1.0
555.25793	0.5
565.24768	1.0
566.22815	0.8
568.23224	4.2
583.25537	100.0
584.25720	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	582.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01869	0.5
55.05475	0.4
57.43204	0.4
65.03933	0.8
67.05505	0.8
69.03420	0.8
69.07050	1.3
69.91466	1.1
69.91863	0.9
70.06598	3.0
70.07390	0.5
71.06900	0.4
72.08145	1.5
73.01133	0.5
78.04708	0.8
79.05503	5.3
81.06144	0.4
81.07039	1.8
84.04480	1.4
84.08128	1.4
85.02898	1.5
86.09722	2.4
91.05482	8.9
93.07054	0.7
94.04196	0.5
95.04976	3.0
95.08590	0.5
97.06540	0.5
98.20858	0.6
103.05429	0.7
105.07049	0.8
107.04295	0.7
107.04967	9.8
107.08599	1.3
109.02897	0.7
109.06529	0.4
110.07151	0.7
111.08119	0.5
112.03957	0.5
115.05437	3.9
116.05287	1.2
116.06285	0.7
116.07080	0.6
117.07014	1.8
118.04158	1.1
119.04939	5.5
119.08561	1.2
120.08097	0.8
121.06495	0.4
121.10066	0.5
123.04422	1.2
124.05208	1.6
125.05989	1.3
127.03913	0.9
129.06956	0.5
130.05002	1.0
131.04889	0.7
132.05727	3.7
133.10156	1.6
137.05962	0.7
137.09610	1.0
140.04666	0.7
142.04097	0.5
143.04924	1.6
144.05699	1.0
145.06462	1.8
147.04391	0.8
147.08028	0.5
149.05966	0.5
151.03926	0.5
151.07553	19.0
152.04677	1.3
160.05193	6.7
161.13255	1.8
162.13586	1.3
167.07053	27.5
168.10182	4.4
170.03632	1.2
170.08138	0.8
171.04439	2.2
173.06020	1.8
175.03954	0.6
175.07541	1.7
177.05496	1.0
179.07005	0.4
188.04689	2.9
190.06238	1.2
191.07051	0.7
191.14357	1.5
192.04138	1.6
194.08087	1.3
198.03159	2.8
200.04665	0.8
203.07043	1.1
205.08641	1.2
207.06532	1.4
216.04173	3.1
217.08604	1.7
219.08047	2.7
220.03635	2.3
221.08133	0.7
228.04077	0.7
231.06531	100.0
232.06802	1.4
234.06789	1.0
249.09183	0.7
252.12325	0.5
255.21088	0.6
256.21530	0.6
261.07663	4.4
262.06387	0.6
264.07819	0.6
273.22180	1.1
274.22369	1.5
275.22882	1.1
276.07846	0.4
276.23129	0.5
277.08829	0.6
279.06381	0.7
322.08154	0.6
323.09232	0.8
337.10693	1.0
343.11768	0.5
348.11905	0.9
365.10361	1.1
369.13202	1.1
371.14960	0.7
397.12778	4.1
398.16049	12.0
410.15961	1.3
415.13873	8.4
420.34393	0.7
564.22180	1.3
581.44354	0.7
582.23401	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	582.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.32076	0.5
55.01859	0.5
57.03446	0.8
61.02934	0.7
65.03936	0.8
67.05511	1.1
69.03417	1.0
69.05125	0.5
69.07067	4.4
70.06573	2.2
70.07397	1.1
71.55061	0.6
71.68968	0.4
72.08164	1.1
73.06558	0.7
74.06062	0.5
74.06924	0.5
78.04717	2.5
79.05481	3.2
81.03418	66.5
81.07055	2.1
82.07362	0.6
84.04507	1.0
84.08129	1.4
85.02902	2.7
86.03227	0.6
86.09713	1.6
91.05483	10.9
93.07067	1.5
94.07388	0.5
95.04974	3.4
95.08614	1.2
96.08132	0.5
97.06532	1.0
103.05478	2.1
105.07023	4.4
106.04176	1.3
106.07368	1.1
107.04968	4.1
107.08625	1.1
109.06515	2.0
109.10172	0.7
115.05446	5.9
115.07574	1.8
116.07896	1.2
117.07024	7.7
118.04174	1.0
119.04945	6.2
119.08597	1.8
120.05178	0.5
120.08067	0.8
120.08878	0.6
121.10136	1.1
122.03668	0.5
122.10410	0.5
123.04429	4.6
124.05215	1.9
125.05972	0.8
127.03943	0.6
128.06227	0.8
129.06998	0.8
129.10239	0.5
130.04144	1.0
130.05034	0.7
131.04935	2.4
133.06470	1.8
133.10103	1.0
135.11716	0.5
136.05141	1.0
136.12030	0.6
137.05957	1.5
145.05127	0.6
145.06505	13.3
145.10144	1.0
146.10480	0.8
147.04436	0.6
147.08055	0.8
147.11696	1.2
148.12045	0.7
149.05988	1.0
151.03833	1.4
151.07547	17.0
152.04663	1.9
153.05424	0.8
155.06000	2.4
156.05682	4.1
157.06508	0.6
159.11682	0.5
160.05206	0.7
160.12068	1.0
161.05963	2.8
161.13277	7.1
162.13594	6.4
163.11134	0.6
163.13989	1.4
165.05446	0.6
167.07040	100.0
168.07437	0.6
170.08202	0.7
172.05170	0.9
173.05989	14.2
174.06683	0.5
174.13611	0.7
175.03931	0.8
175.07556	1.1
176.04674	1.4
176.07089	1.0
177.03204	0.8
181.04987	3.2
184.05211	1.3
189.09077	0.5
190.06255	8.4
191.07053	6.1
193.08559	1.4
194.08138	12.1
201.05469	1.0
202.06288	2.7
203.07013	1.2
205.08595	10.9
207.10248	0.9
217.08597	15.7
219.07965	0.8
221.05943	0.7
226.26239	0.5
231.06526	4.6
233.08083	2.1
235.09644	30.9
236.08350	0.6
246.11154	0.5
249.05453	0.7
255.21069	1.9
256.21436	3.7
257.21735	2.0
261.07346	0.5
264.07745	1.0
265.08664	0.6
273.22159	5.9
274.10678	1.4
274.22498	8.9
275.22784	5.9
276.23032	2.1
279.10144	1.0
280.11926	0.6
307.09619	1.9
311.12698	0.6
319.11618	1.3
337.10751	0.7
339.12198	1.3
358.12924	0.8
369.13315	1.3
371.14886	5.3
385.12485	0.5
398.16089	0.7
400.17514	1.2
410.16013	0.6
418.33698	2.1
419.34238	2.6
420.34390	2.1
428.16992	4.0
582.23450	3.4
582.39307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.1
55.01877	5.6
55.05260	2.4
55.05518	33.2
57.07084	5.4
65.03949	4.4
67.05507	20.8
69.03426	14.9
69.07082	14.1
71.05001	5.3
79.05499	17.5
81.07063	20.2
83.04990	17.2
83.08625	40.3
85.06516	3.8
85.54357	2.0
87.04501	2.4
89.87466	1.5
91.05486	38.4
93.07057	26.2
95.04964	12.5
95.08617	29.1
97.06543	30.6
97.07135	2.3
98.21504	4.1
103.05481	2.7
105.04591	2.9
105.07043	50.1
107.04969	2.3
107.08612	42.2
108.40312	1.6
109.06532	6.2
109.10165	16.4
111.08107	5.5
113.09650	16.1
115.05457	4.0
116.06239	2.8
117.07037	12.0
119.04979	2.3
119.08588	47.3
120.53635	1.6
121.06528	6.5
121.10153	28.5
123.08100	12.9
123.11760	3.9
125.09635	17.3
128.06258	10.9
129.07021	20.8
130.07816	6.6
131.08594	24.2
133.10150	24.1
135.08090	2.2
135.11687	8.4
137.09654	3.3
139.11186	18.2
141.06970	9.9
141.08937	1.7
142.07797	24.2
143.08574	42.6
144.09373	10.2
145.10143	37.2
147.08040	4.6
147.11685	10.5
149.09663	9.8
149.13220	2.3
153.07057	5.5
153.12798	6.0
154.07834	3.8
155.08580	17.7
155.10643	15.5
156.09386	14.6
157.10150	48.2
158.10941	4.9
159.08104	6.7
159.11707	16.0
160.12549	1.6
161.09691	4.0
161.13269	2.7
163.11269	3.2
165.07034	9.8
165.09122	1.8
166.07809	4.1
167.08546	10.6
168.09354	8.8
169.10144	27.5
170.10957	6.6
171.11700	29.3
173.09564	4.0
173.13290	11.4
175.11197	1.7
175.14915	4.0
178.07834	3.8
179.08580	17.1
179.14276	3.9
180.09390	7.6
181.10135	19.5
181.12267	17.0
181.53516	2.1
182.10968	8.5
183.08142	2.1
183.11713	24.2
184.12518	5.0
185.09692	3.5
185.13326	13.4
187.11192	2.7
187.14893	3.4
189.12833	2.4
191.08615	2.6
191.14345	4.7
192.09341	8.5
193.10165	14.2
194.10936	14.1
195.11748	28.0
195.13800	5.5
196.12465	7.1
197.09613	3.1
197.13287	18.0
199.11212	3.6
199.14871	12.5
201.12715	2.3
201.16452	2.1
204.09251	1.8
205.10188	4.9
206.10997	7.6
206.26967	1.6
207.11754	19.7
208.12402	10.7
209.13284	34.3
209.15070	1.7
210.14018	2.7
211.11298	3.0
211.14882	9.6
213.16640	2.5
215.08798	2.0
215.14339	2.4
217.10190	4.7
217.15953	5.2
218.10919	3.8
219.11752	10.6
220.12566	6.5
221.13319	15.9
221.15494	10.2
222.14110	5.1
223.14859	16.1
225.12851	2.4
225.16417	6.2
227.14409	3.0
229.10240	2.1
229.15883	2.0
230.11079	2.2
231.11734	7.1
231.17506	2.2
232.12540	4.8
233.13345	10.1
233.15439	3.4
234.14076	3.2
235.14801	13.9
236.15651	4.6
237.12814	2.7
237.16478	7.0
239.17989	2.7
241.16144	2.3
243.11755	4.4
243.17680	1.9
244.12469	2.4
245.13290	6.0
245.15472	3.4
246.14131	4.0
247.14771	9.2
247.17065	6.0
248.15704	3.4
249.16478	7.9
251.18033	13.4
253.15878	2.0
255.17546	3.0
257.13379	5.2
257.19037	4.1
258.14096	2.3
259.14737	8.4
260.15549	2.4
261.16464	8.3
262.16895	2.3
263.17984	8.7
265.16415	1.6
265.19638	5.1
269.13260	2.3
269.19131	9.8
271.14859	4.5
272.15698	2.7
273.16568	6.3
274.16974	2.8
275.18054	5.8
277.19611	4.9
281.13354	3.1
281.19083	3.7
283.14963	4.5
283.20541	8.8
285.18652	5.5
287.17838	3.5
288.18890	2.0
289.19608	6.0
293.18906	2.2
295.15244	2.1
295.20621	3.3
297.16336	2.9
299.20404	10.8
303.21158	3.3
307.20688	2.3
309.22424	2.1
311.20129	7.0
312.21057	2.6
313.19516	2.7
315.21030	4.8
315.73657	1.9
317.22821	2.6
319.20447	2.3
321.22192	2.0
327.20981	2.1
329.22791	2.6
335.23792	4.1
339.20990	2.2
341.22891	2.5
355.24326	2.9
363.23499	2.1
364.24228	2.0
373.25507	5.3
377.25034	3.1
383.25928	6.3
395.27505	7.2
413.28421	12.4
428.62695	1.7
474.95984	2.0
479.32565	2.9
523.35986	3.0
548.98138	1.9
563.38623	14.0
581.39954	100.0
582.39856	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95689	0.1
52.95932	0.1
53.03941	0.2
55.01873	0.1
55.05526	0.1
56.05022	0.2
57.03434	0.2
61.02930	0.1
62.86501	0.1
65.03935	0.2
66.00709	0.1
67.01867	0.1
67.93438	0.1
68.99785	0.7
69.03438	1.0
69.07059	0.1
69.68002	0.7
70.06599	1.6
71.01353	0.6
71.04990	0.1
71.06927	0.1
72.08164	0.5
73.02891	0.3
74.06081	0.1
79.75151	0.1
81.03424	1.4
82.76897	0.1
84.04491	0.3
84.08128	0.5
85.02425	0.2
85.02911	2.1
86.09717	0.9
88.03989	0.1
89.01968	0.1
89.02409	1.2
91.03949	0.1
93.03419	0.2
95.04968	0.2
97.02913	1.1
99.04457	0.4
101.02349	0.1
101.07152	0.3
102.05516	0.1
107.04935	0.1
109.02878	1.7
110.07158	0.2
111.00815	1.1
111.04466	0.1
115.03928	0.1
120.08109	0.8
121.02873	1.0
123.04425	0.3
127.03925	3.3
129.10236	0.3
131.03392	0.2
135.02919	0.2
135.04448	0.2
136.07587	0.2
137.02351	4.9
137.03398	0.3
143.03394	0.2
145.02852	0.1
145.04976	1.4
145.06056	0.2
149.02356	0.6
153.01840	4.1
155.04823	0.2
161.06026	0.4
163.03928	0.7
165.01857	2.3
166.02625	0.3
171.02888	0.3
173.06004	0.4
177.05528	0.2
179.03397	0.1
183.02898	0.7
183.04433	0.3
187.03929	0.4
187.07156	0.1
189.03937	0.5
191.03432	0.3
191.06950	0.1
195.02898	0.3
201.05481	1.8
205.04977	0.2
207.02921	0.2
211.03975	0.1
213.05591	0.1
215.03471	0.3
215.05559	0.3
219.03062	0.2
219.06604	0.2
228.04160	0.1
229.04976	4.6
230.11441	0.1
233.06573	0.3
239.03459	0.2
243.05055	0.2
246.05313	0.1
247.06071	0.7
257.04456	3.0
261.06073	0.5
274.04767	0.8
275.05484	0.2
285.03925	1.1
287.05594	0.4
296.16068	0.1
303.05005	100.0
304.05276	1.2
315.04831	0.1
327.05435	0.1
345.06091	0.5
410.82764	0.1
411.06979	0.1
416.56647	0.1
563.10443	0.2
581.11261	1.2
581.30768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34225	1.8
53.03948	3.3
55.01869	6.0
55.05518	26.2
57.07066	5.3
59.05017	2.2
65.03933	2.9
66.08164	2.1
67.05508	20.6
69.03438	9.7
69.07076	11.3
69.55157	7.4
69.55599	6.3
71.04986	5.8
79.05505	14.6
81.03410	2.0
81.07066	17.8
83.04986	10.4
83.08623	34.3
85.06535	3.4
87.04457	2.5
91.05495	26.1
93.07041	27.1
95.04990	13.1
95.08617	27.0
97.06542	34.1
98.20747	3.2
102.05918	1.9
103.05444	2.1
105.07039	46.3
107.08608	42.2
109.06523	4.6
109.10154	11.8
111.08102	6.3
113.09656	20.3
113.34012	1.8
115.05469	3.3
117.07036	11.1
119.08592	39.8
121.06510	7.0
121.10156	26.2
123.08078	9.4
123.11707	2.4
125.09612	11.2
127.11215	1.9
128.06239	7.1
129.07005	22.2
130.07791	3.9
131.08566	16.9
133.06473	2.4
133.10123	22.8
135.08041	3.2
135.11714	8.2
137.09644	4.6
139.11191	18.7
141.07016	6.2
142.07788	21.3
143.08577	33.5
144.09375	16.3
145.06551	2.8
145.10130	35.9
147.11728	6.9
149.09637	2.5
149.13167	2.0
153.07033	3.7
153.12724	4.7
154.07791	2.1
155.08633	13.9
155.10667	18.1
156.09393	11.1
157.10146	49.0
158.10892	2.8
159.08063	5.2
159.11710	14.1
161.09648	5.6
161.13345	3.5
163.11203	3.2
165.07034	10.6
166.07832	4.6
167.08603	11.5
168.09335	5.9
169.10130	29.0
169.12277	3.3
170.10921	7.6
171.08086	3.2
171.11684	25.9
173.09651	5.5
173.13284	15.1
174.23688	1.8
175.11288	2.7
178.07889	1.9
179.08560	15.0
179.14343	6.0
180.09393	8.5
181.10149	20.6
181.12268	23.0
182.10974	8.0
183.01601	2.0
183.11708	18.9
185.09694	5.6
185.13252	14.7
187.14868	4.1
191.14407	2.6
192.09326	4.7
193.10155	10.8
194.10930	7.5
195.11731	30.1
195.13823	6.8
196.12476	8.3
197.13300	18.7
199.14854	12.4
201.12805	3.0
203.08670	2.6
204.09384	2.2
205.10121	4.6
205.15881	4.7
206.10966	7.8
207.11748	19.9
208.12563	7.2
209.13269	29.3
210.14043	3.3
211.14813	16.6
213.12846	3.5
213.16443	3.6
215.14294	2.5
217.10181	3.6
217.15837	2.1
219.11736	8.3
220.12500	6.6
221.13307	18.6
221.15442	13.3
222.14027	5.6
223.14899	13.9
225.12749	3.6
225.16304	4.8
227.14345	2.6
229.10077	2.0
229.15868	2.6
231.11754	6.4
232.12495	4.9
233.13316	10.4
233.15346	3.5
234.13936	4.8
235.14850	11.1
236.15622	5.0
237.16429	6.7
243.11740	5.0
243.17592	1.9
244.12427	2.5
245.13324	6.3
245.15639	2.6
246.14015	4.2
247.14810	6.5
247.17018	14.3
248.15417	2.4
249.16431	9.2
251.18019	22.7
255.17461	2.7
257.13348	4.5
257.19144	3.8
258.14026	4.0
259.14832	7.0
260.15720	2.8
261.16302	10.8
263.17953	5.1
265.19580	2.9
267.17316	2.6
269.19034	23.4
271.14728	4.2
273.16254	5.1
273.18646	5.2
274.17020	2.0
275.18008	5.4
277.19656	5.7
281.13434	2.1
281.19113	3.4
283.14749	2.7
283.20544	5.7
285.18765	4.2
287.17990	5.0
295.20590	4.7
298.16675	1.9
299.20395	12.3
302.07617	1.8
305.18796	2.4
309.22223	2.6
311.20132	8.6
312.20935	14.3
313.19443	3.0
315.21442	2.1
317.22665	3.5
333.22128	3.9
335.23776	5.2
363.23212	2.8
373.25195	9.0
387.26862	3.5
395.27429	5.4
413.28470	15.5
505.34735	3.3
523.36029	3.7
563.38696	19.8
581.39948	100.0
582.40118	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	579.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
54.10550	1.0
54.11940	1.1
55.05503	4.3
57.03446	1.3
57.07050	1.2
61.02644	1.4
61.02931	21.1
64.02052	1.2
67.05518	10.9
69.03424	4.0
69.07074	35.3
71.07626	2.9
73.02916	7.8
73.06553	4.7
79.05498	10.0
81.07066	15.7
83.08620	2.3
85.02911	19.9
91.03968	17.1
91.05476	7.6
93.07043	10.8
95.05009	1.5
95.08598	12.3
97.02903	15.8
97.06536	4.8
99.04479	2.3
105.07040	21.7
107.08595	12.9
109.02813	1.5
109.06537	1.8
109.10169	7.3
112.38497	1.2
113.04219	5.9
115.03915	2.2
115.07574	8.6
117.07018	5.1
117.07801	1.3
119.08591	12.9
121.10148	11.5
123.11714	2.3
125.09631	3.0
127.03916	3.6
131.08604	7.4
133.10146	10.2
135.11736	7.0
135.16765	1.1
137.14281	1.1
145.04941	3.2
145.10144	15.6
147.11690	28.1
149.13239	4.4
155.08609	1.4
157.10118	1.7
159.11690	20.5
161.13275	66.9
171.11682	2.3
173.13264	12.5
175.14783	2.1
185.13286	2.1
187.14781	3.2
189.16403	1.6
194.18990	1.2
196.04756	1.2
199.14854	3.9
202.74509	1.2
203.18198	1.6
213.16451	2.2
236.52271	1.3
253.19516	1.3
255.21091	100.0
257.22659	1.5
261.22177	4.9
273.22141	26.8
285.25766	4.4
353.26727	3.5
381.31454	1.2
417.33514	4.8
435.27469	74.6
436.27579	1.5
541.83948	1.4
579.39063	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95689	0.1
52.95932	0.1
53.03941	0.2
55.01873	0.1
55.05526	0.1
56.05022	0.2
57.03434	0.2
61.02930	0.1
62.86501	0.1
65.03935	0.2
66.00709	0.1
67.01867	0.1
67.93438	0.1
68.99785	0.7
69.03438	1.0
69.07059	0.1
69.68002	0.7
70.06599	1.6
71.01353	0.6
71.04990	0.1
71.06927	0.1
72.08164	0.5
73.02891	0.3
74.06081	0.1
79.75151	0.1
81.03424	1.4
82.76897	0.1
84.04491	0.3
84.08128	0.5
85.02425	0.2
85.02911	2.1
86.09717	0.9
88.03989	0.1
89.01968	0.1
89.02409	1.2
91.03949	0.1
93.03419	0.2
95.04968	0.2
97.02913	1.1
99.04457	0.4
101.02349	0.1
101.07152	0.3
102.05516	0.1
107.04935	0.1
109.02878	1.7
110.07158	0.2
111.00815	1.1
111.04466	0.1
115.03928	0.1
120.08109	0.8
121.02873	1.0
123.04425	0.3
127.03925	3.3
129.10236	0.3
131.03392	0.2
135.02919	0.2
135.04448	0.2
136.07587	0.2
137.02351	4.9
137.03398	0.3
143.03394	0.2
145.02852	0.1
145.04976	1.4
145.06056	0.2
149.02356	0.6
153.01840	4.1
155.04823	0.2
161.06026	0.4
163.03928	0.7
165.01857	2.3
166.02625	0.3
171.02888	0.3
173.06004	0.4
177.05528	0.2
179.03397	0.1
183.02898	0.7
183.04433	0.3
187.03929	0.4
187.07156	0.1
189.03937	0.5
191.03432	0.3
191.06950	0.1
195.02898	0.3
201.05481	1.8
205.04977	0.2
207.02921	0.2
211.03975	0.1
213.05591	0.1
215.03471	0.3
215.05559	0.3
219.03062	0.2
219.06604	0.2
228.04160	0.1
229.04976	4.6
230.11441	0.1
233.06573	0.3
239.03459	0.2
243.05055	0.2
246.05313	0.1
247.06071	0.7
257.04456	3.0
261.06073	0.5
274.04767	0.8
275.05484	0.2
285.03925	1.1
287.05594	0.4
296.16068	0.1
303.05005	100.0
304.05276	1.2
315.04831	0.1
327.05435	0.1
345.06091	0.5
410.82764	0.1
411.06979	0.1
416.56647	0.1
563.10443	0.2
581.11261	1.2
581.30768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3895
Annotation	Timosaponin A-I
Peak:m/z	Relative Intensity
53.03938	1.9
55.05498	2.3
57.03436	1.6
61.02940	1.4
61.06561	0.6
67.05511	3.1
69.03431	5.9
69.07072	22.7
70.06589	1.3
71.04999	0.9
71.54999	0.7
73.06565	3.1
73.56343	0.6
79.05502	5.4
81.03406	4.1
81.07058	8.4
83.08636	0.9
84.08124	0.8
85.02422	1.1
85.02906	14.5
91.03946	1.0
91.05468	3.9
93.07043	5.7
95.04951	1.6
95.08607	6.5
95.72926	0.6
97.02337	0.6
97.02897	4.8
97.06540	6.4
97.10220	0.7
99.04415	0.9
105.07030	15.4
107.04902	0.6
107.08600	9.2
109.02896	1.7
109.06521	7.0
109.10177	3.1
113.04247	3.4
115.06792	1.1
115.07573	14.3
117.07018	2.1
119.08581	9.9
121.10155	6.1
123.11678	1.4
125.09660	1.0
127.03923	2.9
131.05234	0.7
131.08595	3.4
133.10159	5.9
135.11728	3.8
137.13170	0.6
144.09258	0.6
145.04968	2.0
145.10118	6.2
147.11690	13.6
149.13228	3.8
151.11186	1.0
157.10159	1.7
159.11713	10.0
161.13264	70.5
163.11220	2.9
167.10686	6.5
170.01164	0.6
171.11633	1.2
173.13263	4.6
175.14828	1.1
185.13293	2.7
187.14856	1.0
189.16431	0.8
199.14827	2.2
201.16437	0.6
213.16385	2.0
255.21100	26.6
269.13959	0.6
273.22137	100.0
274.22360	1.0
285.25662	2.1
381.31631	1.2
399.32529	1.5
417.33643	38.7
418.34378	0.9
543.36731	0.8
579.39087	6.8
597.30505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3892
Annotation	Timosaponin A-I
Peak:m/z	Relative Intensity
53.03946	1.0
55.01876	0.9
55.05516	1.7
57.03429	1.6
61.02935	2.3
67.05511	3.3
69.03432	4.8
69.07074	21.4
69.31248	2.8
70.07407	0.4
71.04985	0.6
73.02905	0.8
73.06557	2.8
76.23940	0.4
79.05492	4.4
81.03416	2.8
81.07063	5.2
82.40553	0.4
83.08607	0.7
85.02911	13.2
87.04472	0.9
91.03971	1.1
91.05478	4.2
93.07046	5.6
95.04986	0.9
95.08619	5.2
97.02893	6.4
97.06536	5.3
97.10178	0.7
98.21593	0.6
100.10448	0.3
105.07036	14.2
107.07887	0.5
107.08594	6.5
109.02880	1.5
109.06534	6.6
109.10168	2.8
115.06785	0.8
115.07579	14.7
117.07008	1.8
118.22080	0.4
119.08582	7.8
121.10146	4.5
123.11715	1.3
125.09683	0.8
127.03925	2.9
131.08565	3.1
133.10133	6.2
135.11684	4.4
143.08569	0.6
145.04948	1.9
145.10123	6.0
147.11696	12.8
149.13303	2.2
151.11182	1.4
157.10147	1.2
159.11694	10.1
160.11909	0.4
161.13268	67.0
163.11211	3.0
163.14870	0.7
167.10683	6.0
171.11697	1.3
173.13268	6.2
175.14844	1.2
185.13258	1.6
187.14839	1.5
189.16383	0.5
199.14810	3.1
201.16451	0.4
213.16388	1.8
215.18019	0.8
227.17976	1.0
255.21104	32.1
256.21616	0.5
271.20538	1.0
272.20999	0.8
273.22147	100.0
274.22522	1.4
285.25711	2.0
301.25229	0.4
301.41992	0.4
381.31329	0.6
399.32504	1.5
415.32248	0.5
417.33658	37.1
418.33936	0.9
435.27521	3.0
543.37054	0.8
561.38129	0.4
579.38983	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	579.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05506	2.4
57.03431	1.8
60.96298	0.5
61.02939	3.2
61.27434	0.5
67.05522	2.6
69.03433	7.2
69.07074	23.4
69.83694	1.8
69.84112	1.0
71.04995	1.2
73.02921	0.7
73.06564	3.4
79.05497	4.2
81.03423	1.9
81.07056	7.9
83.08595	0.7
85.02425	1.0
85.02912	15.8
86.77169	0.5
91.03948	1.8
91.05478	4.9
93.07043	5.6
95.04965	1.0
95.08619	5.3
97.02901	6.0
97.06547	5.9
98.20794	0.6
99.04444	1.1
105.07038	15.0
107.08598	8.1
109.02888	1.4
109.06522	6.8
109.10164	3.7
111.90295	0.5
112.96387	0.5
115.07578	13.1
116.48069	0.6
117.07001	1.2
119.08585	9.3
121.10154	5.2
123.11674	1.2
125.09621	1.2
127.03919	3.7
129.06987	0.6
131.08560	3.5
133.10129	6.9
135.11697	5.8
143.08577	0.7
145.04962	2.2
145.10133	7.1
146.32103	0.6
147.11694	12.9
149.09756	0.6
149.13274	1.8
151.11131	0.9
157.10092	1.2
159.11703	10.0
161.13271	68.9
163.11217	2.5
163.14882	0.8
167.10689	5.9
171.11658	0.9
173.13275	5.5
175.14824	1.5
185.13268	2.2
187.14806	1.2
189.16499	0.6
193.02023	0.6
199.14844	2.8
213.16377	1.1
215.17903	0.6
215.44490	0.5
227.17856	0.8
253.19434	1.5
255.21117	32.3
256.21454	0.6
271.20566	0.9
273.22147	100.0
274.22501	1.8
285.25909	1.4
399.32394	1.7
417.33658	37.2
418.33948	1.2
435.27426	4.1
543.36566	0.8
579.38953	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	579.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00783	0.5
53.03939	1.4
55.05504	2.3
57.03442	1.3
57.37717	0.6
61.02927	3.0
67.05498	4.2
67.54529	0.5
69.03432	5.3
69.07073	25.8
69.47117	0.5
69.47254	1.0
69.47647	3.9
70.06581	0.9
71.04981	1.7
73.02902	1.1
73.06565	3.0
74.94356	0.5
79.05504	5.6
81.03419	3.0
81.07062	7.5
83.08593	0.8
85.02429	1.0
85.02911	14.8
87.04456	0.8
91.03922	1.1
91.05479	4.1
93.07048	5.9
95.04974	1.0
95.08611	6.9
97.02892	6.0
97.06532	5.5
97.10141	0.6
99.04449	0.9
105.07036	17.1
107.08606	8.4
109.02865	1.3
109.06521	7.5
109.10147	3.7
114.62063	0.6
115.06793	0.9
115.07573	16.4
115.89294	0.6
117.06998	1.7
118.25125	0.6
119.08591	9.9
121.10148	6.3
123.11686	1.1
127.03925	3.1
131.00967	0.6
131.08566	4.4
133.10135	6.8
135.11691	5.0
137.53313	0.6
143.08574	1.3
144.09320	0.7
145.04982	2.9
145.10143	7.1
147.11688	16.1
149.13249	2.2
149.64586	0.6
151.11081	0.8
155.39122	0.7
157.10164	1.8
159.11713	11.0
161.13266	73.0
163.11203	2.9
167.10674	6.6
171.11781	1.1
173.13248	5.4
175.14729	1.1
183.72784	0.6
183.78093	0.6
185.13261	1.9
187.14778	0.9
189.16357	1.2
199.14824	2.7
213.16347	1.1
226.94662	0.7
227.17924	1.7
253.19612	0.7
254.19859	1.1
255.21103	32.5
271.20514	1.9
272.20905	1.9
273.22134	100.0
274.22534	2.2
274.75250	0.6
285.25806	1.9
309.67557	0.6
385.71649	0.6
399.32651	1.9
417.33646	40.8
418.33832	0.9
435.27277	2.7
502.48624	0.6
543.36774	1.1
579.38940	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	579.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08130	1.6
53.03951	3.7
55.01876	5.3
55.05511	13.2
55.33163	1.9
57.03441	5.2
57.07073	5.0
64.36455	2.0
64.90619	1.9
66.90025	2.3
67.05508	78.6
69.03426	4.6
69.07066	15.8
69.70295	4.4
69.70710	7.8
71.04991	4.0
73.02922	5.5
79.05501	34.5
79.60862	1.6
81.03409	6.5
81.07063	82.5
83.08617	8.2
84.82955	2.1
85.02901	4.8
85.06522	2.1
91.05486	18.3
93.07054	45.8
95.04978	5.9
95.08614	59.2
97.02917	2.0
97.06544	5.1
97.10159	4.2
98.98476	19.8
99.04465	2.0
99.08141	2.2
105.07043	18.9
107.08606	34.4
109.02874	8.6
109.06535	2.8
109.10173	36.0
110.03722	1.9
111.04467	4.8
113.04260	9.6
117.07016	9.1
117.90601	1.8
119.08597	15.2
121.10163	28.2
123.11723	19.4
127.03907	6.2
129.07112	1.9
131.08589	21.5
132.99620	2.0
133.10153	16.2
135.11708	26.5
137.09557	2.5
137.13269	8.3
145.10120	16.2
147.11751	12.4
149.13257	16.2
151.14912	3.0
155.01054	22.2
157.10023	2.0
159.11711	13.7
161.13268	13.5
163.14861	9.7
165.12787	2.7
173.13269	14.3
175.14822	5.3
177.12727	2.1
177.16345	3.9
183.11548	2.3
185.21368	2.1
187.14819	8.7
191.00087	2.8
193.05003	2.5
223.77045	2.0
233.22539	2.5
243.21098	25.6
245.22510	2.7
261.22168	100.0
263.23669	5.9
264.61322	2.4
279.22952	4.5
317.06219	2.4
317.24731	2.1
335.25891	19.1
337.27466	15.9
353.26895	79.4
377.26843	3.2
387.80283	2.2
469.23300	2.1
561.27264	5.2
579.37646	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	579.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
54.36897	1.6
55.01867	3.7
55.05513	14.4
57.03445	7.8
57.07069	4.5
58.68575	1.6
65.03932	3.6
67.05511	85.7
69.03422	3.6
69.07079	14.8
71.05012	3.7
71.08640	3.0
71.29641	2.1
73.02920	2.7
79.05500	43.8
81.03416	11.4
81.07063	87.5
83.04990	2.9
83.08638	8.3
84.08125	1.5
85.02908	5.0
85.06540	2.9
85.10172	1.9
90.26162	1.6
91.05490	25.5
91.09425	1.8
93.07053	54.1
95.04993	7.2
95.08613	66.6
97.02888	1.5
97.06532	4.5
97.10172	4.2
98.98473	54.5
99.04467	4.2
99.08086	4.2
105.04536	2.3
105.07044	18.7
106.64387	1.5
107.08600	37.6
109.02879	8.3
109.06504	1.9
109.10167	36.4
109.10909	2.0
110.03684	4.2
111.04497	3.3
111.08083	3.0
113.04239	4.1
117.07030	9.5
119.08586	18.5
121.10149	34.7
123.08046	2.7
123.11726	21.5
125.09633	2.3
127.03910	5.2
129.06999	2.8
131.08572	17.5
133.10139	18.8
135.11711	26.9
137.09612	2.3
137.13280	7.9
139.11266	1.7
143.08601	1.8
145.10159	16.6
147.11708	12.7
149.13289	20.6
151.11232	2.3
151.14799	3.2
152.14261	1.5
155.01054	50.6
159.11719	17.2
161.13255	12.3
163.14832	12.5
165.12726	2.2
165.16318	1.6
171.11685	1.7
172.95319	2.5
173.13269	15.7
175.14877	3.1
177.12907	1.5
177.16393	5.5
179.14343	2.1
187.14871	5.0
191.00073	3.7
201.16393	2.7
215.17953	1.7
233.22679	2.4
243.21075	28.3
245.03188	1.3
245.22646	8.2
261.22165	100.0
263.23724	16.0
270.97565	1.5
279.23126	3.4
285.22253	1.9
317.06262	5.7
335.25754	13.5
337.27347	36.3
353.26901	69.3
354.27515	1.5
369.24121	1.8
413.51022	1.7
451.21402	2.0
456.86563	1.7
473.19885	4.4
561.27264	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	577.3739
Annotation	Yamogenin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	0.9
55.01858	0.9
55.05508	2.4
57.03429	2.5
57.19298	0.6
60.67079	0.6
61.02927	2.9
67.05226	0.6
67.05510	6.7
69.03433	8.7
69.07072	26.3
69.60020	1.8
69.60438	2.9
70.06587	1.2
71.04996	1.1
73.01128	1.2
73.02902	0.9
73.06564	3.4
79.05502	5.3
81.03426	3.2
81.07061	8.1
85.02914	18.2
86.09743	0.8
87.04481	0.9
91.03984	0.7
91.05443	5.2
92.96091	0.6
93.07053	7.3
95.04964	2.1
95.08624	6.1
97.02901	8.0
97.06537	8.2
97.10141	0.6
99.04454	1.9
103.03965	0.6
105.07033	8.5
107.08588	8.9
107.67346	0.6
109.02864	2.0
109.06536	8.5
109.10162	10.0
113.04264	5.1
115.07580	13.4
117.07018	2.0
119.08578	5.9
121.09304	1.1
121.10144	13.7
123.11723	1.1
125.09669	0.9
127.03933	4.2
129.03746	0.9
129.07004	2.6
131.08568	7.8
133.10139	11.9
135.11673	2.6
141.06998	1.2
142.07768	3.8
143.08572	5.2
145.01401	1.0
145.04991	3.0
145.10126	9.7
147.11693	14.9
149.09599	1.9
149.13245	1.4
149.62724	0.6
151.11192	2.6
153.05457	0.7
155.08574	2.1
156.09303	0.6
157.10146	33.4
159.11705	17.2
161.09659	0.8
161.13338	1.0
163.11191	2.0
167.10678	8.7
169.10141	2.3
171.11667	6.8
173.13269	4.0
175.11177	7.0
177.12741	1.3
181.10089	0.8
182.10837	0.7
183.11688	3.5
185.13252	3.1
187.14810	0.7
197.13252	6.4
199.14784	1.5
202.37668	0.8
211.14832	4.9
213.16367	2.1
223.14931	1.2
224.15579	1.8
225.16380	2.6
227.17929	0.7
235.76245	0.6
238.17189	1.8
253.19527	45.7
254.19899	0.7
255.21065	0.8
269.13889	0.7
271.20581	100.0
283.24344	3.6
363.28937	0.7
379.29932	1.1
397.30908	2.0
415.32089	43.4
416.32550	0.7
478.94501	0.6
541.35089	0.9
577.37366	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	577.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
53.45215	0.5
53.85419	0.6
55.01866	1.2
55.05508	2.3
55.79181	0.6
57.03426	1.6
60.06802	0.6
61.02930	4.8
67.05508	6.0
69.03434	7.5
69.07072	24.4
71.04984	1.2
73.02901	2.2
73.06557	4.2
77.81293	0.6
79.05495	5.4
81.03424	4.2
81.07053	7.8
83.08607	0.8
85.02910	20.1
87.04472	1.1
91.03953	2.7
91.05470	6.0
92.42596	0.6
93.07050	8.6
95.08612	6.8
97.02905	6.9
97.06524	7.0
97.10174	0.9
99.04465	1.4
105.07029	8.3
107.08609	9.9
109.02851	2.2
109.06517	9.9
109.10168	8.8
111.06143	0.7
115.07574	14.3
117.07001	3.5
119.08575	6.2
121.09307	1.1
121.10141	15.7
123.08053	0.6
123.11689	1.7
125.09666	0.9
127.03930	4.9
127.11102	0.7
129.07025	3.8
130.07782	1.1
131.08559	9.0
133.10133	12.7
135.11710	4.3
137.09669	1.1
141.07002	0.9
142.07776	4.6
143.08559	7.0
144.09372	0.8
145.04982	3.0
145.10127	11.4
147.11696	16.1
149.09608	1.0
149.13252	2.3
149.96588	0.6
151.11177	2.2
155.08545	1.7
157.10135	33.9
159.11711	18.8
161.13248	2.3
163.11189	1.4
167.10686	9.3
169.10139	2.5
171.11691	6.7
173.13312	4.9
175.09732	0.9
175.11188	7.3
177.12683	0.9
182.10957	0.8
183.11699	4.4
185.13251	3.2
196.12387	0.9
197.13271	7.3
198.14037	0.8
199.14815	1.0
201.16512	0.8
209.13300	0.7
211.14870	5.0
213.16409	1.1
223.15091	0.6
224.15627	2.3
225.16344	2.8
238.17155	1.4
241.19702	0.6
253.19527	52.9
255.21315	0.6
259.69147	0.7
271.20575	100.0
272.21014	1.3
273.22443	0.6
283.24249	3.8
379.30081	1.5
397.30905	2.0
415.32101	45.2
416.32306	0.7
433.26111	1.5
541.35162	1.2
577.37531	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	577.3737
Annotation	Yamogenin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	1.1
55.01871	1.1
55.05500	1.6
57.03427	1.9
61.02937	4.2
66.68056	0.6
67.05502	5.9
69.03439	8.0
69.07074	26.4
70.06590	0.8
71.04987	1.2
73.02905	1.7
73.06573	3.4
78.92783	0.6
79.05499	4.6
81.03407	2.9
81.07063	7.0
83.08608	1.1
85.02908	19.7
86.09705	0.9
91.03954	2.4
91.05489	4.9
93.07050	7.8
95.04979	1.8
95.08607	6.9
97.02898	7.3
97.06540	6.8
99.04446	0.6
104.47778	0.5
105.07026	7.6
107.08597	8.9
109.02876	2.0
109.06531	9.1
109.10159	9.4
112.66327	0.5
115.07575	12.8
117.07001	3.3
119.08594	4.7
121.10155	14.6
123.08044	0.9
123.11684	1.3
125.09624	0.9
125.77628	0.7
127.03909	4.0
128.06221	1.3
129.06987	3.0
131.08578	8.6
133.10135	12.1
135.11700	3.0
141.07033	1.4
142.07787	3.2
143.08556	5.0
145.05000	2.9
145.10139	10.9
147.10509	0.9
147.11699	17.1
149.09634	1.2
149.13249	1.5
151.11276	1.1
155.08522	2.1
157.10141	34.1
159.11700	15.6
161.13272	2.0
163.11148	1.4
167.10683	7.0
169.10144	2.8
171.11693	6.9
173.13293	4.0
175.11205	7.3
177.12766	1.3
183.11719	5.0
185.13216	2.9
186.13997	0.7
187.15059	0.7
197.13297	6.8
199.14743	1.5
209.13362	0.7
211.14764	4.1
212.15567	0.8
213.16386	1.6
223.14903	1.3
224.15526	1.2
225.16374	2.3
238.17201	1.2
253.19533	50.3
254.19649	0.5
255.21101	1.2
271.20578	100.0
272.20963	1.2
283.24243	4.6
379.29828	1.1
397.31015	2.4
415.32095	42.5
416.32336	1.0
433.25876	1.0
536.91388	0.7
577.37207	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	577.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14125	0.7
54.66155	0.7
55.05516	6.4
56.05029	2.0
56.77903	0.8
57.05804	1.1
57.07090	0.8
60.04531	18.1
69.07060	1.0
69.68841	4.5
70.02954	4.0
70.06604	6.3
72.08163	65.7
74.06052	1.1
81.03097	0.9
84.04514	5.2
84.08150	3.8
85.02909	1.0
86.09718	100.0
87.05604	14.4
87.10046	1.2
88.04002	3.6
94.06619	0.9
96.08129	2.4
98.02413	1.1
98.09696	1.3
101.07179	1.9
106.05032	1.8
114.09190	18.3
120.08105	1.1
120.68824	0.7
124.07578	0.8
127.05043	7.9
128.10725	2.4
129.10249	3.2
130.04959	2.4
138.09161	1.7
141.10228	5.2
142.08586	1.2
145.06145	1.3
147.04378	0.9
155.11908	1.2
156.10245	1.3
157.06163	1.7
157.09741	2.0
159.11308	98.5
166.08701	0.9
169.09666	1.4
171.07707	1.0
173.05594	4.8
173.12875	1.4
183.11287	4.1
187.10800	28.0
188.30383	0.8
199.10735	1.2
200.14023	1.0
201.12343	11.3
202.07671	0.9
208.78699	0.9
209.09042	0.9
209.18948	0.9
211.10899	0.8
219.13412	8.0
226.11896	1.7
227.17511	6.2
229.11844	3.6
240.13469	2.2
244.13004	4.2
255.17044	2.7
257.28531	1.0
258.14529	3.3
260.29538	0.9
268.13043	1.0
272.12418	4.8
282.10947	0.9
286.14029	12.3
287.05490	1.5
298.14148	1.0
313.15054	2.6
316.15198	1.8
327.16754	0.9
333.89133	0.9
334.16391	1.1
341.14594	9.1
355.15997	4.9
359.15683	24.4
373.17276	9.0
391.18414	5.3
392.18951	0.9
409.20734	1.8
426.23587	3.3
427.22165	1.3
436.22012	0.9
444.24677	11.0
454.23077	11.4
472.24042	17.9
559.27698	3.9
577.28174	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	576.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.05034	7.1
58.06611	1.0
60.04554	0.9
61.01156	1.2
67.60387	0.8
69.06725	0.8
69.07074	9.4
70.02950	5.6
70.06597	10.0
71.55353	0.8
72.08158	3.8
74.06091	12.2
81.03432	0.7
82.06596	3.6
83.06100	1.5
84.04508	13.8
84.08148	4.5
85.02903	1.5
85.04048	2.3
86.09711	100.0
87.10047	1.0
88.03997	65.1
94.06538	0.8
96.08135	1.0
98.02431	2.6
99.09213	1.0
100.07623	2.2
101.07158	1.3
102.05576	1.2
110.02410	1.8
110.06094	1.4
110.07185	1.9
111.05573	12.7
112.03967	8.7
120.08125	3.2
125.07111	5.9
126.05529	12.8
127.03915	1.1
127.05079	1.7
127.08718	0.9
129.05780	1.0
129.06580	5.2
129.10242	2.1
130.05017	1.6
132.08153	0.7
132.10208	2.2
133.06158	0.9
136.07623	1.1
139.05037	4.4
141.10220	2.9
143.08156	1.0
144.06569	25.9
145.06110	2.6
145.07187	0.8
153.06587	14.7
153.07806	0.8
154.05026	1.7
155.04471	0.8
155.08214	1.3
155.11746	1.3
156.10237	4.8
159.09224	0.8
166.08665	1.6
170.08199	0.9
171.07684	6.7
173.05635	3.1
181.06071	2.6
183.11359	3.0
187.26237	0.7
189.08720	17.8
198.08786	1.3
199.07159	70.5
199.18071	0.9
201.09435	1.7
201.12352	29.2
203.12325	0.8
217.06245	1.3
217.08217	14.1
217.10327	0.9
219.07851	1.0
227.06688	1.7
227.17923	0.7
229.11862	11.1
242.11452	4.1
245.18642	9.1
253.04695	1.0
268.09427	1.3
270.40839	0.7
288.08450	1.8
296.08878	1.8
314.09879	32.0
314.13333	2.1
330.16599	0.9
332.10895	89.5
333.11011	1.1
358.16650	0.8
360.21045	0.8
399.18585	3.6
417.19849	18.8
427.18298	1.0
445.19296	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	576.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05657	1.7
55.01871	8.8
55.05519	3.8
56.05037	4.9
56.13984	1.9
58.06594	8.7
58.99586	11.3
61.01159	4.8
67.05508	4.0
69.03454	2.5
69.07064	5.4
70.06600	10.8
70.80379	5.9
70.99636	2.1
73.01159	13.5
74.00665	10.1
76.02232	25.1
76.04017	1.8
79.05501	8.0
84.04512	57.6
84.08163	6.8
85.02920	2.4
85.04043	3.7
86.09728	4.2
90.18811	1.6
96.08138	13.4
96.92406	5.2
97.06532	4.6
99.02686	28.3
101.04256	4.8
104.98323	26.1
107.99420	5.4
111.02687	2.8
112.04026	12.1
113.04237	100.0
114.03789	2.6
114.05006	3.2
115.05812	7.9
116.01660	12.1
116.05322	38.5
116.07079	14.9
124.07611	10.1
129.06596	3.1
130.05040	24.2
131.04501	4.4
131.05353	2.5
136.06218	3.5
138.97078	3.1
142.03204	4.4
142.08650	5.1
144.01154	4.2
145.01408	3.2
148.02551	3.9
160.00529	2.6
162.02234	15.8
162.61482	1.8
170.08144	46.6
176.98633	37.5
177.03279	14.5
178.33107	1.8
179.04872	29.4
182.06458	2.6
202.05347	21.3
211.02095	5.8
214.18092	2.4
217.06339	3.2
219.08000	64.0
233.05832	3.7
251.00616	5.8
251.05254	9.2
273.09021	5.7
290.87192	1.8
305.06323	3.4
308.09027	8.1
317.01184	15.1
348.12268	23.9
371.02292	4.0
380.09424	10.1
446.05536	4.9
459.32144	2.1
551.02313	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
56.05042	1.4
58.06597	3.2
58.99582	3.5
61.01134	1.2
63.94437	2.2
66.27783	1.1
67.05521	2.3
69.07063	2.1
70.06589	3.1
70.55003	2.2
73.01146	100.0
76.02219	5.7
78.96771	17.8
84.04041	1.4
84.04510	18.0
84.08150	1.5
96.08131	4.0
99.02687	10.0
112.03969	4.7
113.04216	4.2
115.05798	4.1
116.01723	1.8
116.05330	10.7
116.07091	3.9
121.01435	77.1
124.07600	3.0
130.05014	2.7
142.03261	1.5
142.08627	2.7
154.96779	1.3
162.02197	3.7
170.08167	16.1
176.20200	1.5
179.04855	9.5
180.13985	1.3
195.03323	42.3
202.05292	9.0
206.73260	1.3
219.07959	19.3
273.09018	3.9
291.06424	1.4
308.08841	2.6
322.66858	1.5
348.12234	13.4
446.23865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.9
55.05525	2.9
56.05035	3.5
58.06598	13.5
58.99585	10.6
61.01163	5.6
67.05507	8.2
70.06583	22.3
72.08164	3.7
72.44473	3.1
73.01138	16.3
74.02419	3.8
74.09714	7.5
76.02223	14.6
79.05534	5.3
81.03415	4.2
81.07047	3.4
82.06551	3.6
82.61423	2.9
84.04510	100.0
84.08142	11.2
85.02889	4.9
86.09705	10.0
86.71016	3.1
95.01353	2.7
96.08135	20.3
99.02688	45.5
101.04242	4.8
102.05576	3.3
104.98317	13.0
110.07155	4.1
112.03981	16.3
113.04240	10.1
116.01672	12.3
116.05323	55.9
116.07085	17.7
120.08179	3.3
124.07590	19.7
126.09211	4.0
129.10262	3.4
130.05017	15.4
130.26131	2.6
142.03206	7.6
142.08635	11.4
144.01163	5.9
144.04784	5.9
147.03012	4.5
160.00665	3.8
162.02226	8.8
163.43228	3.8
170.08138	86.4
177.03391	4.2
179.04865	21.0
182.06384	4.0
186.22154	7.9
194.99718	3.1
202.05338	45.8
219.08000	66.7
220.32193	3.1
245.05890	5.4
245.09579	4.1
273.09024	9.3
348.12311	51.1
466.99417	3.3
575.35016	3.7
576.34644	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	573.3039
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05518	5.9
57.03447	6.5
57.07076	25.5
67.05512	10.2
69.07076	8.5
71.08636	18.3
71.55799	2.3
81.03442	4.6
81.07059	12.1
83.08640	8.4
85.10211	9.6
88.52765	2.2
89.06049	3.0
93.07130	2.3
95.08618	13.1
95.80537	2.0
97.10184	4.8
98.98473	27.2
105.07043	2.8
109.02914	3.4
109.10193	7.9
110.35110	2.0
113.04224	2.4
123.11663	2.6
143.13812	2.1
155.01051	26.7
165.03391	2.3
173.02155	2.4
239.23714	5.5
242.01472	2.6
290.40707	1.9
311.25827	6.5
313.27399	100.0
314.27823	2.8
335.07385	2.4
393.24133	4.7
562.73358	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	574.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.5
55.01868	2.1
55.05511	13.0
56.05033	2.5
57.03451	7.3
57.03676	1.3
61.02916	2.8
68.95518	1.3
69.03430	10.9
69.07066	4.7
69.27111	9.4
69.27534	4.4
69.93475	1.6
70.06599	15.5
71.01323	1.5
71.05000	34.3
72.08158	16.8
73.02921	2.8
74.06091	7.6
75.04485	4.5
81.03419	6.7
83.04482	2.9
83.04986	74.4
84.04511	8.7
84.08146	6.9
85.02911	100.0
86.09708	16.5
87.04477	2.3
87.10032	1.8
91.04003	1.9
93.07072	2.0
94.49937	1.6
97.02894	16.5
98.20778	3.0
99.04456	5.5
101.06003	2.1
102.05560	2.0
109.02891	4.8
110.07157	4.4
111.04447	34.9
112.08727	1.5
116.07104	2.0
116.95640	1.4
127.03915	13.3
129.05492	41.5
129.10254	1.9
130.08627	1.9
133.10095	1.4
136.07553	1.3
144.06587	1.8
145.04953	13.8
147.06523	20.6
162.07562	3.2
163.06026	4.6
177.05495	2.1
183.11311	1.7
185.12827	1.6
206.24986	1.5
216.93369	1.4
228.13684	1.5
237.07497	8.0
244.09171	1.9
244.75545	1.3
255.08710	7.6
263.12302	3.1
273.09674	13.4
309.11740	8.6
380.06137	2.3
395.19144	2.4
412.08936	1.8
526.84082	1.5
574.25244	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	576.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84043	1.4
55.01869	2.6
55.05500	3.0
56.88868	1.4
57.03424	3.6
58.06589	2.4
58.99578	2.5
61.01156	2.1
66.85334	1.9
67.05480	4.9
68.10236	1.7
69.03067	2.2
69.03431	26.3
69.07057	3.5
70.06591	15.9
72.08140	3.9
73.01127	5.6
74.02441	1.6
74.06084	1.9
74.09721	7.9
76.02230	5.5
79.05489	4.5
81.03411	2.4
81.07037	4.1
84.04501	29.3
84.08139	5.9
85.02900	26.2
86.09703	9.7
91.05489	2.7
93.07034	1.7
95.01329	39.8
95.04948	4.9
96.08115	6.4
97.02854	2.0
97.06516	5.4
98.06070	2.1
99.02678	13.5
101.04251	2.4
102.27831	1.5
103.91831	1.5
104.98342	4.3
105.07066	1.7
107.08582	1.8
109.06513	1.3
110.07162	2.4
112.03997	3.1
113.02370	1.6
113.04210	5.1
113.06029	3.2
116.01700	3.2
116.05317	14.4
116.07092	6.2
117.07031	1.7
117.79173	1.6
120.08102	3.1
123.04433	2.9
124.07588	6.5
125.05169	2.9
125.05997	36.4
125.85007	1.5
127.02111	1.5
127.03898	3.2
129.10222	3.6
130.05013	6.5
136.07545	1.7
141.05486	1.6
142.03191	3.5
142.08670	1.9
143.07036	3.5
143.08401	1.4
151.03886	3.2
153.05464	45.3
162.02176	2.4
169.04919	2.0
170.08090	22.9
177.03336	3.5
179.03442	2.0
179.04846	6.5
187.06070	2.2
197.04469	18.1
202.05357	14.3
214.75304	1.7
215.05505	100.0
219.07964	18.4
265.99292	1.7
273.09064	3.4
274.29205	1.6
279.18069	1.5
297.03394	11.8
326.94894	5.9
348.12274	16.2
353.42307	1.5
380.09641	2.0
380.39847	1.9
385.85880	1.8
393.08246	7.2
411.09128	3.8
429.10220	2.1
433.15152	1.7
439.63812	1.7
576.03436	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	572.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46709	4.0
63.41316	4.3
70.06583	18.2
77.66637	4.3
84.08145	5.3
85.02901	6.5
86.09705	9.5
88.07610	9.0
95.01295	4.7
97.06463	5.2
106.08631	5.8
111.02656	6.0
113.04228	26.7
125.05974	7.2
130.39272	4.8
142.99652	4.1
145.01419	5.1
148.32353	3.9
150.03810	5.3
174.31166	4.1
184.20572	5.9
191.49503	3.9
196.04276	6.0
246.24257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.8
57.07079	5.6
57.13598	3.7
67.78241	3.9
70.06604	23.3
70.84504	7.5
83.56393	3.8
84.08144	6.0
85.02898	4.1
86.09706	5.8
88.07638	11.3
97.06528	4.9
106.08604	4.2
113.04222	16.2
114.87224	3.5
120.08082	5.6
121.39689	3.7
129.03694	4.7
150.01472	3.8
246.21880	7.0
246.24318	100.0
250.79366	3.9
296.83179	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	572.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.05262	2.3
55.05516	36.7
57.03450	6.1
57.06860	1.3
57.07080	15.2
65.03953	2.0
67.05508	41.2
69.07074	37.7
71.05003	19.0
71.08651	8.1
79.05501	16.6
80.05851	1.8
81.07061	72.8
83.04988	3.7
83.08628	33.0
85.06545	6.8
85.10193	3.7
91.05492	16.7
93.07046	16.7
94.07362	2.3
95.04985	2.8
95.08598	12.4
97.06553	3.4
97.10183	26.9
105.07023	8.2
107.08607	11.1
108.50364	1.3
109.06535	1.8
109.10201	7.9
111.08103	2.2
111.11730	6.1
117.07042	3.5
118.98653	1.4
119.08607	2.1
121.10157	8.2
122.10480	1.4
123.11714	10.7
125.09602	1.8
125.13316	2.1
126.44216	1.4
131.08586	4.6
133.10152	13.7
135.11710	4.1
149.13266	5.1
151.11189	7.6
159.11633	4.0
183.13789	3.5
187.13351	6.2
195.13821	2.7
243.15886	1.9
257.17526	1.6
265.12720	1.4
269.17511	3.9
301.20126	18.7
311.22226	2.0
311.25827	36.8
440.86526	1.4
479.37372	100.0
480.37399	2.4
493.38995	4.3
505.38647	5.8
537.41589	42.2
566.91333	2.5
572.47510	22.0
588.10791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95206	1.6
71.08332	4.0
110.03285	1.6
152.95422	3.7
153.03909	1.9
164.93555	3.3
173.93268	1.9
190.94141	1.9
221.02751	2.1
226.97275	4.8
227.94922	16.1
228.93353	100.0
228.96796	18.3
229.94730	1.9
246.93533	2.4
288.94464	3.0
357.45355	1.9
381.07788	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	570.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.9
61.02913	1.7
66.34601	1.3
67.50631	1.3
69.03418	1.9
70.06593	11.1
70.73488	4.1
72.08147	6.6
74.06038	1.7
79.05504	1.9
81.03423	2.1
84.04485	3.8
84.08145	7.4
85.02899	3.6
86.09718	8.8
91.05473	11.5
95.04946	1.9
97.02878	1.9
98.06068	1.8
101.07079	1.7
103.05480	7.8
105.07015	4.5
110.07164	3.1
115.05474	5.3
116.07048	1.5
119.04948	15.2
120.08111	3.8
121.06487	3.0
122.03620	3.0
127.03916	2.8
129.10251	5.1
130.04118	1.9
130.04970	1.7
131.04927	9.1
132.04433	3.0
132.08083	4.8
133.02834	4.4
133.06450	5.1
136.07576	2.1
137.05983	36.3
143.04907	2.4
145.05112	1.7
145.06476	6.5
147.04424	14.8
149.05966	4.2
150.06746	4.3
151.07607	1.7
158.03629	5.9
160.05370	1.5
160.07582	15.9
161.05977	12.0
162.03024	1.7
162.06744	9.8
163.07553	7.5
170.79065	1.6
173.04596	2.1
173.05994	16.4
175.03926	5.7
175.07600	2.0
177.05443	5.2
178.08611	2.5
179.07051	3.5
186.03136	5.4
191.07054	2.1
193.04985	3.3
201.05470	100.0
205.06563	3.0
213.05414	2.3
219.06526	29.4
219.08543	2.3
229.05104	1.3
231.02969	1.5
231.06480	5.7
233.06018	3.1
234.06789	2.1
237.09035	5.1
241.13199	2.2
245.06012	2.7
249.05421	2.2
250.06203	3.9
251.07231	1.9
261.05356	2.1
262.06216	1.7
265.08731	8.3
272.11066	1.2
277.08594	3.4
279.06729	1.7
282.68643	1.6
292.07425	4.2
293.08047	8.3
297.11096	3.3
305.08182	2.9
306.36816	1.5
307.09598	9.4
310.08401	2.0
323.09091	9.1
325.10706	44.8
337.10593	6.5
343.11780	16.0
355.11749	31.1
361.02652	1.5
373.12695	2.2
419.40167	1.3
570.20544	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	570.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
51.68695	0.2
53.03955	1.1
55.01873	0.4
58.06580	0.3
60.08149	0.5
69.03421	1.2
69.07074	0.3
70.06598	3.7
71.54974	0.3
72.08160	1.2
73.02918	0.4
79.05503	0.2
79.27779	0.2
81.03421	1.4
84.04503	0.7
84.08145	1.9
85.02908	3.3
86.09710	3.0
87.00852	1.0
87.05585	0.3
91.05479	1.2
95.04997	0.5
97.02888	2.4
97.03990	0.2
99.04460	1.2
102.05573	0.2
103.03941	0.4
103.05476	0.9
103.17744	0.2
104.04996	1.1
105.01871	1.2
105.07032	0.6
109.02882	4.6
110.07166	0.4
111.04432	0.2
115.04673	0.4
115.05457	6.1
116.04955	0.5
116.07099	0.3
117.05766	3.3
117.07078	0.2
118.06550	7.2
119.04951	0.5
120.08111	1.8
121.06413	0.3
121.59877	0.2
124.96822	0.2
126.02464	0.7
127.03098	0.4
127.03934	4.8
128.06209	0.3
129.01854	0.3
129.07018	0.4
129.10254	0.7
130.04991	0.5
130.06512	0.5
131.04958	1.3
131.07217	0.2
131.08492	0.4
132.04460	20.7
132.08095	27.7
133.04839	0.3
133.06454	0.5
136.07567	1.1
137.05998	2.8
140.04938	0.8
142.06526	10.2
145.04985	1.3
145.06377	0.4
147.04431	0.6
147.07674	0.5
149.06029	0.3
150.09119	0.2
151.03993	0.3
151.07567	0.3
157.06511	0.4
159.02893	1.0
159.08057	0.6
160.07582	100.0
161.06035	0.4
161.07950	1.4
162.06778	0.3
163.07518	1.9
170.07355	0.4
173.06018	0.5
175.07536	0.2
177.04044	0.2
177.05482	0.5
178.08641	13.2
179.09106	0.3
185.09818	2.4
187.07550	0.8
189.09111	0.5
201.05482	2.7
204.07834	0.4
213.03909	0.7
215.07008	0.4
219.06439	0.6
219.09921	0.3
229.08823	1.5
231.05032	0.8
249.08672	0.3
249.11243	7.0
260.16116	0.6
268.09723	0.3
283.14557	0.3
292.07382	0.3
307.09641	0.3
323.09061	0.7
325.10553	1.1
337.10690	0.3
339.12146	0.5
355.11826	0.7
540.43018	0.2
570.19397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06700	0.3
53.03954	1.2
55.01873	0.3
57.71004	0.2
61.02921	0.4
69.03424	0.7
70.06586	0.6
70.63574	0.8
72.08167	0.3
81.03423	2.0
84.13143	0.2
85.02927	2.5
86.09702	0.7
87.00829	1.2
91.05514	0.6
96.05470	0.3
97.02901	2.3
99.04433	1.0
104.04998	0.9
105.01872	1.3
105.07028	0.3
109.02889	4.7
115.05471	5.9
116.04973	0.8
117.05769	3.1
118.05702	0.4
118.06547	7.1
120.08092	0.3
126.02502	0.4
127.03079	0.5
127.03929	5.1
130.06505	0.4
131.04964	0.3
131.07304	0.4
132.04460	21.5
132.08095	28.3
133.08455	0.3
140.04922	1.3
142.06531	9.7
142.07655	0.6
145.04950	1.5
150.09108	0.3
159.02892	0.7
160.07585	100.0
161.07932	1.5
178.08641	12.5
185.09865	1.1
204.78140	0.3
213.03906	0.7
220.67560	0.3
229.08809	0.8
231.05031	1.0
249.11049	0.3
303.05023	0.4
436.12234	0.3
480.83835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62244	0.9
62.12128	0.9
63.12126	0.8
71.53653	1.0
94.37414	0.9
94.93018	3.6
104.07503	1.0
112.89593	1.1
128.29843	1.0
150.94463	1.6
150.95599	22.9
166.95172	1.3
180.96681	3.0
185.05777	0.9
200.09164	1.0
208.96141	11.9
226.86815	2.7
226.97203	100.0
227.94923	6.4
244.97458	0.9
286.98282	1.9
381.07874	8.5
472.42053	1.0
545.04175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2937
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
54.39239	0.7
69.05967	0.7
69.79350	3.7
70.06588	2.4
71.66129	0.7
72.08153	1.8
72.79282	0.7
84.08131	0.8
84.95808	0.8
86.09711	1.1
93.50610	0.7
97.78068	0.9
101.05151	0.7
102.57337	0.7
112.03465	0.9
113.04238	4.5
120.08124	1.6
121.75549	0.8
162.79678	0.7
166.15816	0.7
176.50006	0.8
201.21799	0.8
250.31113	0.7
257.65854	0.8
569.29364	100.0
570.29968	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03942	3.0
55.05299	0.8
55.05510	10.0
57.07077	10.2
59.05006	1.3
65.03932	3.7
67.05170	1.2
67.05509	17.3
69.03418	2.5
69.07073	13.9
70.06598	4.6
71.04113	1.7
71.04969	1.1
71.08619	3.4
77.03920	1.1
79.05058	1.5
79.05495	21.7
80.06255	4.1
80.18285	0.7
81.07060	32.8
83.04961	2.3
83.08611	5.2
85.06540	3.5
85.10181	1.4
88.07630	5.9
91.05482	44.3
92.06271	2.6
93.07050	46.7
94.07832	0.8
95.04356	1.9
95.04971	37.4
95.08608	28.1
95.09081	0.4
95.09236	1.0
97.06527	2.5
102.09172	4.2
103.05460	4.0
104.06229	1.3
105.07034	81.3
106.07861	4.1
107.04963	1.2
107.08595	42.1
108.09352	2.3
109.06548	5.4
109.10152	17.8
111.08073	1.8
115.05463	6.7
116.06204	1.9
117.07027	25.3
118.07790	3.5
119.08585	100.0
120.09409	7.7
121.06496	2.2
121.10144	29.1
122.07303	0.8
123.08082	16.6
123.11681	6.2
125.09650	2.2
128.06241	10.2
129.07014	18.1
130.07814	10.7
131.08571	49.2
132.09366	10.3
133.06476	0.8
133.10133	50.9
134.10931	7.1
135.08054	5.7
135.10693	0.9
135.11700	15.9
137.09665	5.9
138.10402	7.1
139.11201	1.6
141.06987	7.7
142.07779	17.8
143.08568	44.7
144.09343	14.3
145.06494	1.9
145.10126	85.9
146.10936	5.3
147.08023	2.8
147.11696	20.7
148.12427	1.1
149.09639	6.0
149.13251	3.8
151.11169	2.3
152.06207	1.0
153.06976	2.7
154.07751	2.9
155.08554	14.9
156.09344	15.5
157.10136	49.4
158.10921	11.3
159.08049	1.8
159.11697	36.2
159.29083	0.9
160.12424	3.0
161.09628	7.0
161.13251	6.9
163.11221	2.4
163.14816	1.8
165.06975	6.7
166.07770	3.3
167.08540	9.7
168.09303	6.2
169.10133	26.1
170.10910	9.2
171.11688	34.7
172.12459	7.3
173.09592	1.9
173.13275	25.6
174.13966	1.5
175.11232	1.9
175.13297	1.0
175.14816	18.3
177.12822	5.5
179.08557	9.1
179.14162	0.9
180.09360	5.6
181.10132	15.4
182.10895	8.4
183.11707	23.4
184.12480	5.5
185.13266	24.2
186.14037	7.0
187.14809	12.8
189.12753	3.8
189.16402	1.0
191.14319	9.9
192.09344	3.5
192.15086	2.4
193.10135	7.9
193.15874	1.7
194.10916	9.3
195.11694	18.2
196.12491	6.9
197.13257	26.0
198.14029	4.6
199.11136	1.2
199.14830	10.8
200.15652	1.1
201.12683	4.1
201.16373	7.5
203.14337	3.4
205.10159	1.7
205.15837	2.2
206.10899	3.6
207.11705	12.3
208.12436	4.6
209.13263	25.6
210.14023	3.5
211.14836	17.6
212.15552	2.3
213.16428	5.1
215.14192	1.6
216.15034	1.5
217.15907	6.2
218.10878	1.1
218.16589	1.1
219.11742	2.9
219.17403	2.0
220.12570	1.9
221.13232	8.2
222.13976	3.1
223.14821	12.7
224.15532	4.7
225.12903	1.1
225.16376	8.0
226.17123	2.8
227.14331	1.3
227.17935	1.2
229.15883	1.1
230.16661	0.9
231.11499	1.5
231.17458	2.4
232.12439	1.5
233.13232	3.5
234.14145	1.4
235.14809	5.0
236.15503	1.8
237.16426	8.0
239.17906	5.5
240.18739	1.4
241.19525	2.7
243.17418	1.5
244.12579	1.1
245.13280	2.3
246.13982	1.9
246.19737	1.3
247.14745	3.2
248.15646	1.2
249.16362	4.6
250.17159	1.8
251.17961	3.4
252.18820	1.2
253.19534	2.4
254.20261	1.4
255.17522	1.8
257.13501	1.0
257.19025	2.6
259.14853	1.7
259.20569	2.2
261.16467	2.0
263.17889	4.5
265.19513	5.1
267.17487	0.9
267.21054	2.6
269.18933	1.6
270.19730	1.9
271.20422	1.2
272.21231	1.8
273.16327	1.1
275.17825	2.7
277.19553	2.8
278.20193	1.0
279.21103	1.7
281.18884	1.4
283.20654	3.8
283.26315	3.6
284.21420	0.9
284.29474	10.5
285.22220	2.3
289.19543	1.3
291.21002	1.5
295.20590	1.0
297.22134	3.6
305.22620	2.4
306.49438	0.9
309.22156	1.5
311.23740	1.3
311.29419	10.4
312.32529	4.0
321.22107	1.0
323.23694	7.4
324.24359	1.1
337.25098	1.8
338.26047	38.7
347.23654	0.8
349.25192	1.2
351.26663	2.0
355.24631	1.0
362.26004	1.9
375.26660	1.2
383.08640	0.9
397.28976	0.9
415.29706	2.3
420.30203	3.3
429.31342	1.0
430.32330	11.4
458.35440	1.0
476.36487	13.5
489.37289	1.7
568.42456	26.7
568.56451	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62071	1.8
54.15718	1.8
55.01864	4.4
55.05518	7.5
56.05031	4.5
57.03457	3.1
60.04530	4.7
61.02925	3.7
67.05510	11.2
69.03437	15.4
69.07073	10.4
70.06594	46.5
71.04995	5.1
71.55070	3.1
72.08163	11.1
72.70947	2.4
74.06106	3.4
79.05486	9.1
81.03413	6.7
81.07065	18.3
81.68992	2.1
83.04980	14.9
83.08620	8.2
84.04493	7.4
84.08141	11.1
85.02909	40.1
85.06541	4.9
86.09712	17.5
91.05466	12.7
93.07040	12.3
95.04968	37.3
95.08616	15.5
95.83836	2.2
97.02896	12.8
97.06523	9.6
99.04479	10.2
101.07114	2.4
102.05528	6.8
102.09189	3.1
105.07039	26.1
107.08607	27.8
109.02876	5.7
109.06535	19.3
109.10182	34.2
110.07185	3.4
111.08096	4.6
115.07571	2.9
117.07052	2.7
119.08579	27.9
120.08103	6.5
121.10145	25.6
123.08089	5.7
123.11717	8.9
125.09628	3.9
127.03924	9.9
129.10248	7.4
130.05008	2.6
130.06519	4.5
131.08568	15.0
133.10130	64.1
134.10480	2.9
135.08089	10.2
135.11703	16.8
136.07564	7.5
137.06012	2.6
139.11177	7.0
143.08583	4.3
145.04984	13.9
145.10150	4.6
147.11678	17.9
149.13289	14.9
151.11172	9.7
153.09105	15.6
157.07639	3.9
157.09758	5.3
158.06110	2.9
158.10916	6.2
159.11299	2.7
163.06038	4.4
163.11269	2.6
163.14809	5.6
165.12749	4.5
167.14352	9.9
173.13264	55.1
175.08681	7.3
175.14833	98.4
177.05469	2.7
185.07193	2.1
185.09335	3.9
191.14316	57.5
193.15909	4.6
201.12349	4.1
209.15359	100.0
227.16457	29.9
244.19209	2.8
273.11102	5.1
287.05585	7.6
325.10754	3.6
353.10049	3.5
353.20065	2.8
366.14435	5.3
367.15619	2.2
387.17328	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	568.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01868	2.4
55.05518	11.6
55.80864	1.2
57.03434	4.5
57.07079	5.3
59.05002	1.8
60.04525	4.7
61.02927	6.1
67.05510	10.1
69.03434	16.6
69.07067	6.5
70.06597	42.9
71.04995	4.4
71.54744	1.6
72.08145	2.0
73.02919	2.7
74.06078	1.2
77.25382	1.4
79.05488	6.8
81.03430	6.9
81.07068	20.6
83.04976	12.7
83.08627	8.3
84.04523	3.1
84.08143	4.0
85.02911	59.2
85.06544	6.6
86.09701	4.4
87.04472	3.7
91.03954	2.5
91.05494	6.2
93.07055	9.6
95.04974	15.8
95.08624	9.2
97.02906	19.0
97.06538	9.0
99.04473	6.6
99.08102	1.2
101.07154	1.2
105.07047	16.5
107.08605	22.3
109.02859	5.6
109.06522	20.9
109.10162	32.1
110.07185	2.2
111.08085	3.5
113.06013	3.4
113.09647	1.2
115.07571	4.4
115.08733	1.2
117.07048	1.8
119.08594	15.1
120.08107	2.0
121.05407	1.4
121.06462	1.6
121.10147	26.3
123.08097	6.5
123.11702	8.2
125.09646	5.7
127.03927	18.5
127.07641	1.4
129.10265	2.9
130.06570	5.4
131.08565	7.7
132.04477	2.7
133.10143	43.5
135.08089	6.5
135.11707	2.5
135.42993	1.2
136.07536	3.0
137.09634	1.6
137.13231	2.0
139.11206	4.4
141.10231	1.5
143.08617	1.4
145.04964	24.3
145.10159	5.9
147.11700	11.6
149.09586	1.9
149.13278	11.5
151.11186	12.8
153.09090	12.0
157.07666	9.3
157.09741	9.6
158.06004	6.0
158.10925	3.3
159.09227	4.0
161.05896	1.3
163.06021	9.6
163.11252	1.6
163.14867	5.4
165.12769	6.3
167.14320	15.3
171.78067	1.4
173.13266	28.7
175.08688	12.6
175.13327	1.8
175.14830	35.2
179.05484	1.3
181.15871	2.6
185.07155	3.2
185.09248	3.0
191.14317	31.0
193.15923	7.7
193.17392	1.2
209.15379	100.0
227.16408	20.5
257.58945	1.3
300.13513	1.5
327.09549	1.9
366.14551	10.8
406.13043	1.3
426.17746	1.2
481.20563	1.8
539.30231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01863	4.3
55.05505	7.2
57.03436	4.2
59.12489	2.9
61.02927	3.6
63.36037	3.2
67.05487	4.1
69.03425	11.4
69.07066	9.9
70.06237	4.1
70.06594	35.6
71.04971	4.3
71.55235	4.1
72.08143	13.5
73.52383	3.4
74.06065	3.6
79.05472	6.9
81.03400	4.1
81.07053	12.1
82.57941	2.9
83.04980	7.8
84.04507	13.1
84.08141	12.8
85.02900	25.5
86.09711	25.5
87.05596	4.6
91.05484	7.3
93.07036	10.2
93.65405	3.0
95.04976	7.9
95.08610	9.9
97.02911	9.3
97.06522	12.0
99.04446	7.6
103.03939	6.0
105.07043	15.9
107.08585	13.9
109.02897	3.5
109.06529	8.6
109.10159	20.4
110.07154	7.2
111.04453	3.1
119.08580	12.7
120.08102	17.0
121.10144	50.7
121.10933	5.7
122.10477	5.2
123.08078	32.8
125.05988	5.6
127.03922	19.6
129.10263	11.1
133.10138	7.6
135.11713	6.5
136.07567	5.0
137.05983	4.7
137.09592	6.9
141.09190	3.8
145.04961	12.2
145.10127	5.1
147.11699	16.7
148.11964	3.3
149.09637	11.6
151.07541	7.0
151.11166	7.6
161.13264	39.9
161.75546	3.3
163.06110	3.6
163.11154	16.1
165.12791	6.6
169.12241	12.2
171.11598	5.2
179.14320	7.1
181.12328	15.1
189.12816	20.3
207.13821	21.3
208.14096	6.5
225.06535	4.9
225.14856	24.2
226.15222	4.5
239.08063	9.5
243.15932	100.0
245.12881	4.2
253.09760	3.6
271.10681	5.7
281.09152	6.9
287.05542	5.7
309.08835	6.7
327.09824	11.5
329.11005	5.1
330.41934	3.5
345.10806	11.6
355.09515	3.7
373.10239	10.0
405.12900	15.5
499.13321	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	566.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58104	0.2
56.05043	0.6
58.06621	0.5
60.08166	6.4
69.03449	0.2
69.07080	0.3
70.06607	0.6
71.07379	3.1
71.55029	0.2
72.08147	0.2
73.02136	0.2
74.06079	0.3
79.57896	0.2
81.07065	0.3
84.08163	0.3
86.09712	32.1
91.05500	0.4
93.07021	0.4
93.84751	0.2
97.02866	0.3
97.06525	0.2
98.98466	3.4
104.10753	4.3
107.08681	0.2
113.04253	0.8
125.00015	23.0
129.10307	0.3
137.06058	1.2
143.01033	0.3
160.57570	0.2
173.65849	0.2
173.79535	0.2
184.07353	100.0
216.25940	0.2
258.11053	0.2
470.47333	0.3
534.28027	0.3
548.29694	1.1
566.31006	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	566.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.3
55.05508	12.1
56.05035	5.7
57.03421	6.7
57.07073	3.9
59.04983	7.0
59.16935	3.4
60.04504	4.9
61.02923	8.4
64.14839	3.8
67.05524	19.9
69.03435	25.3
69.07068	17.8
69.83732	19.5
70.06599	41.2
71.04996	8.2
72.08145	24.0
74.06084	5.5
79.05495	10.9
81.03423	24.2
81.07070	34.3
83.04985	17.2
83.08633	4.0
84.04510	22.9
84.08134	12.9
85.02911	97.6
85.04032	5.3
85.06539	5.4
86.09711	49.0
88.90111	3.8
91.03951	6.1
91.05491	19.4
93.07019	17.5
95.04972	7.7
95.08623	33.7
97.02882	33.7
97.06523	14.2
98.06092	5.1
98.20794	4.6
99.04461	56.8
103.03951	75.7
103.05441	5.9
105.07051	46.6
107.08628	21.7
109.02901	21.0
109.06509	22.2
109.10166	48.8
110.07177	9.0
111.08109	8.2
114.03751	4.0
117.06990	4.3
119.08591	46.0
120.08126	41.8
121.10161	79.4
123.08091	47.1
123.11693	14.1
127.03922	90.2
127.07559	6.1
129.10262	11.8
130.05003	9.0
131.08583	10.5
133.10115	15.8
135.08101	5.6
135.11685	11.6
136.07559	17.1
137.05981	28.0
137.09621	19.4
137.13258	9.9
137.52895	3.7
145.04980	81.5
145.10120	16.5
147.08057	5.1
147.11697	51.4
149.09616	32.1
151.07562	11.8
151.11203	18.1
158.44719	4.0
159.11591	3.8
161.13274	42.1
163.06039	53.3
163.11140	22.7
165.12758	14.9
169.12238	10.9
170.08112	7.7
171.11682	7.4
174.10428	5.8
175.08551	4.3
177.03276	11.7
179.04961	4.7
179.14333	15.5
180.96812	3.9
181.12260	14.7
187.14433	5.7
189.12773	80.6
191.14330	10.1
202.13985	4.0
207.13828	100.0
210.16270	5.4
210.57048	4.0
213.15977	4.3
225.14880	66.3
243.15959	57.2
251.10243	5.4
271.08237	5.9
279.09787	5.6
288.06009	7.4
289.09033	5.1
303.04977	16.9
304.05344	24.3
307.10187	4.4
325.11353	9.2
353.03818	4.0
373.10593	5.1
405.12659	5.0
547.28223	4.3
566.32269	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	566.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
56.05036	3.2
57.03423	0.6
57.48663	0.5
58.06591	1.8
67.05512	1.0
68.05067	0.6
69.03427	0.9
69.07076	5.3
69.43624	2.1
69.44049	1.7
70.02973	0.7
70.06200	0.6
70.06595	11.8
71.06916	0.8
71.62743	0.4
72.08144	2.1
74.02431	0.7
74.06085	9.9
79.05488	0.7
81.07062	0.5
83.06130	0.6
84.04510	7.1
84.08157	2.1
85.02923	2.9
85.03364	0.4
86.09714	60.1
87.10051	1.1
88.03973	3.3
91.05486	1.7
93.07048	1.5
96.04510	0.8
97.02910	1.1
98.06056	0.7
100.07642	0.9
101.07146	4.0
102.05560	2.3
103.03978	0.8
103.05476	3.3
104.98314	0.8
105.07004	0.8
107.08558	0.5
110.06078	1.0
110.07181	1.2
112.11235	1.2
113.07136	1.1
116.03455	0.7
119.04922	0.6
119.08554	0.7
120.08117	100.0
121.08470	1.3
123.08081	0.7
124.11276	0.9
124.50771	0.5
126.05542	0.6
127.03952	1.2
127.05055	3.2
127.08683	2.2
129.06645	0.7
129.10257	1.3
130.05031	1.2
131.08218	0.8
134.04503	3.5
136.07581	1.3
141.06665	0.7
142.12299	1.8
143.11769	1.1
144.06581	1.1
145.04938	1.5
145.06052	1.1
149.09639	0.8
153.01831	0.8
155.08168	1.9
159.07651	1.9
162.07669	1.1
163.06094	0.5
166.08598	1.2
169.06042	1.0
169.13362	3.1
171.11391	0.7
173.05609	2.2
173.09218	1.6
174.36151	0.5
177.03345	0.9
177.10306	1.5
181.73015	0.5
183.11459	0.8
187.07149	0.9
187.14421	14.2
189.12804	0.5
191.11795	9.1
197.12912	3.0
202.05959	0.6
205.09749	1.5
207.06494	1.2
207.13930	2.5
211.98528	0.5
215.13919	10.4
219.11290	8.2
224.82497	0.5
230.05179	0.6
231.06364	0.7
233.11435	0.8
233.16481	11.3
240.17183	1.2
243.13512	1.9
247.12842	3.4
249.07182	1.5
261.16034	7.2
268.16586	1.1
276.13596	1.1
277.11859	0.6
302.14996	8.9
303.05020	6.6
304.05386	9.8
304.08701	1.1
306.09329	2.2
306.14560	0.9
318.18152	2.3
320.12460	1.8
320.15997	9.9
330.16623	2.3
334.14005	1.1
348.17822	2.1
361.22507	0.6
387.23865	4.1
401.20703	0.7
405.25006	2.2
415.23395	5.4
433.20554	1.3
453.16107	3.9
547.78204	0.5
548.27112	1.7
566.24310	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.3
53.79433	6.9
55.01863	11.8
55.05507	17.0
57.03442	8.4
67.05503	52.6
69.03422	10.2
69.07066	21.9
70.06590	21.5
71.55027	8.8
73.01136	7.3
79.05508	52.1
81.03411	18.6
81.07069	79.3
83.04958	10.7
83.08629	16.2
85.02894	12.0
86.09717	13.4
88.54738	7.9
91.05488	28.7
93.07044	58.6
95.01321	11.3
95.04972	7.7
95.08610	29.3
97.02917	10.3
97.06519	20.5
105.07034	24.2
107.08593	25.4
108.99322	8.7
113.04230	25.7
117.07014	13.2
119.08568	20.4
121.10120	18.8
125.09583	10.0
129.10149	8.9
131.08597	12.8
133.10124	30.0
135.11694	27.4
135.94725	7.6
149.09676	10.0
149.13271	17.3
158.56845	7.2
159.11703	26.2
163.11139	11.8
177.12738	28.7
179.14410	12.0
195.13806	11.8
195.73877	7.5
202.76497	8.6
215.05510	9.2
255.15976	48.5
257.19012	11.4
259.12286	8.5
259.76431	11.8
269.17514	100.0
275.20065	13.3
287.25085	7.6
318.52197	8.5
349.23779	52.2
367.24661	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	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32619	3.1
53.03926	4.3
55.05510	11.7
57.07083	3.5
59.04976	3.5
65.03932	3.9
67.05519	20.3
69.03435	5.9
69.07056	12.7
70.62183	4.4
70.62499	5.4
74.64065	3.0
79.05507	19.8
81.07069	27.9
83.04986	5.5
83.08612	5.8
91.05480	31.6
93.07059	41.7
95.04955	8.4
95.08614	24.4
97.06545	4.6
103.05551	3.6
105.07035	58.6
107.08599	30.1
109.06487	4.9
109.10175	17.7
115.05488	4.0
116.28889	2.9
117.07017	14.5
119.08588	64.6
121.06525	5.4
121.10152	42.5
123.08075	10.3
123.11755	7.7
125.05990	3.8
128.06229	7.3
129.06996	14.0
130.07779	4.6
131.08583	20.6
133.10149	33.6
135.11726	16.1
137.09575	4.7
141.06969	7.2
142.07785	14.8
143.08583	28.1
144.09358	3.8
145.10127	44.0
147.08055	9.1
147.11691	11.8
151.07524	6.4
153.06995	6.0
155.08565	14.5
156.09363	16.2
157.10130	40.7
158.10890	7.4
159.08107	3.4
159.11713	20.2
163.11203	4.5
165.07024	5.7
165.09111	19.7
166.07799	3.5
167.08560	9.9
167.10692	6.9
168.09311	5.0
169.10130	16.3
170.10870	5.7
171.11679	24.8
173.13254	20.9
175.14822	8.3
179.08548	10.6
180.09349	4.9
181.10181	14.5
181.12097	3.0
182.10913	8.5
183.11638	17.3
185.13229	13.8
187.14789	5.6
192.09413	4.6
193.10213	15.2
194.10889	5.6
195.11775	18.4
196.12480	7.1
197.13254	14.0
199.11107	3.4
199.14813	12.2
201.16481	3.9
203.14316	8.3
206.10912	9.9
207.11694	14.8
208.12482	4.8
209.13257	20.7
211.14810	8.4
218.10797	4.6
219.11609	5.8
220.12407	6.4
221.13240	14.5
221.15375	28.9
222.14081	3.0
223.14792	10.9
231.11588	5.1
232.12486	6.0
233.13245	8.9
235.14864	9.4
237.16415	6.3
239.18033	8.0
244.12602	4.8
245.13110	4.9
246.14108	3.4
247.14827	8.3
249.16460	6.4
253.19633	4.2
259.14755	6.6
261.16406	5.1
263.18112	5.5
265.19324	7.2
271.14886	4.5
273.16382	5.0
275.17865	4.6
277.19489	4.5
289.19415	5.0
311.17767	3.8
313.14395	3.7
317.22501	3.3
331.24405	6.0
385.28787	3.4
473.33981	13.6
520.86938	3.2
547.39081	10.7
565.40448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15906	9.4
55.05510	27.0
57.03432	26.0
58.87778	9.6
64.82701	9.0
65.26219	10.6
67.05505	74.6
69.03415	15.0
69.07070	35.7
69.25944	45.7
69.26368	64.4
70.06576	25.7
74.13942	10.7
79.05503	61.5
81.07068	86.9
83.08613	13.0
84.08146	12.6
85.02923	10.2
86.09734	16.2
91.05484	66.2
93.07045	56.2
94.52956	10.0
95.04951	18.0
95.08617	63.8
97.06539	24.6
102.78539	9.6
105.07047	52.1
107.04956	13.0
107.08627	42.7
109.10191	30.3
113.04266	15.4
115.73930	11.9
117.07024	35.8
119.08603	50.2
121.10159	42.5
125.05984	13.6
129.07059	20.6
131.08562	54.5
133.10130	43.7
135.08067	12.8
135.11676	26.0
143.08609	16.4
145.10147	34.2
147.11703	23.5
149.09636	17.0
149.13284	16.6
157.10156	14.8
159.11749	34.6
161.13406	12.0
167.54651	10.3
173.13329	14.9
177.12848	30.7
178.93831	10.2
185.13359	15.1
199.14906	16.2
199.33875	13.2
215.05504	16.2
217.15932	26.4
219.17513	18.5
235.16920	13.2
255.15923	36.8
257.19061	19.0
269.17447	85.0
275.20123	45.2
282.16696	10.7
293.21310	14.6
309.20621	100.0
349.23752	82.6
359.35794	10.9
564.29425	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	564.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.3
55.05516	3.1
56.05038	4.6
58.06597	12.1
58.99592	8.6
61.01162	10.1
67.05492	3.8
68.05023	4.1
69.03434	2.6
69.07078	6.1
70.06596	15.4
71.04993	12.6
71.55450	2.2
72.08165	4.1
73.01151	16.9
74.00672	14.8
74.02458	3.8
75.28319	1.7
76.02231	14.3
76.04017	5.0
79.05495	1.8
81.07067	4.4
82.06597	1.9
83.08604	2.7
84.04510	100.0
84.08152	13.5
85.02915	11.3
85.04035	4.6
86.09707	13.3
88.02224	6.3
89.04238	3.2
91.05470	2.3
92.01701	3.1
92.98361	2.9
93.07036	5.4
95.08624	2.3
96.08123	24.1
97.02840	2.1
98.06008	2.3
99.02678	25.2
100.11215	2.0
101.04250	3.6
104.98325	32.3
105.49413	1.8
107.08626	1.8
107.99393	6.7
110.07185	2.2
112.03979	18.7
113.04272	4.8
114.05573	3.0
116.01689	7.5
116.05322	41.9
116.07080	12.0
118.99892	2.1
120.08134	7.2
121.01419	3.2
124.07589	18.2
126.09136	3.2
127.02188	2.1
128.07118	1.9
129.05469	2.6
129.06589	2.2
129.10243	2.2
130.03546	1.9
130.05009	36.2
130.05945	3.0
130.99854	2.4
131.04530	5.1
133.10109	2.0
142.03214	4.5
142.08650	18.3
144.01184	3.9
144.04721	1.7
145.06084	5.6
145.10172	2.2
147.02982	9.5
148.02515	10.4
156.06544	1.8
157.10107	2.1
160.00670	3.9
162.02266	9.2
170.08134	98.4
177.03268	20.7
179.04852	26.3
181.05969	2.4
185.03998	2.5
191.04842	4.1
195.03300	2.3
202.00031	2.3
202.05362	31.2
210.15001	2.5
211.02051	12.6
211.14786	3.0
213.12372	6.0
219.07993	70.4
229.06410	2.1
229.15894	2.6
233.06099	1.9
245.05913	4.1
245.09680	1.9
251.05203	23.4
271.20267	1.7
273.09012	11.2
285.04007	3.4
287.20029	2.6
305.06241	6.0
308.09067	2.5
348.12271	57.2
379.08203	3.8
380.09506	32.7
381.31631	2.9
388.15765	2.0
454.11554	15.1
514.05383	2.2
521.36505	4.2
554.51044	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35771	1.7
55.01877	6.5
55.05515	2.4
56.05037	6.0
58.06611	10.2
58.99586	9.4
61.01142	3.3
65.03957	2.2
67.05510	3.9
67.78973	1.5
68.05022	4.6
69.03429	3.9
69.07071	3.0
70.06600	21.3
70.43613	5.7
72.08154	6.5
73.01135	13.8
74.00669	2.6
74.02464	3.9
76.02235	17.8
79.05492	2.2
80.05017	2.1
82.06580	4.6
83.06110	2.5
84.04510	100.0
84.08151	9.9
85.02934	4.2
86.09711	13.8
86.99107	2.0
88.02203	3.3
89.04245	2.3
92.98334	5.5
93.07060	3.0
96.08134	21.6
99.02689	48.3
101.04243	2.7
102.05508	1.7
104.98327	2.4
110.07148	3.1
112.03981	21.2
113.04236	3.3
116.01685	14.4
116.05328	56.1
116.07082	17.8
117.27871	2.0
120.08107	6.7
124.07587	19.8
126.03674	2.3
127.02229	1.8
129.10255	5.2
130.05058	10.0
136.07646	2.1
142.03244	9.7
142.08653	12.9
144.01144	4.6
144.04781	4.1
145.01486	2.0
160.00676	2.3
162.02199	11.3
167.00162	3.6
170.08138	92.3
177.03354	1.8
179.04871	28.7
182.06404	4.1
191.04913	2.2
202.05341	49.7
211.02159	1.9
219.07990	71.0
229.06424	2.5
245.05959	4.0
245.09583	6.0
251.05255	2.3
273.09091	13.5
291.06451	3.5
298.78192	1.7
325.07062	1.8
330.11133	3.6
338.54932	1.6
348.12234	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28882	1.4
55.01859	8.1
56.05039	7.8
56.50771	1.3
58.06594	8.3
58.99595	8.0
61.01151	8.0
67.05510	1.9
68.05020	3.2
69.03426	3.6
69.07080	4.2
70.06593	23.2
71.54523	1.5
72.08156	5.4
73.01144	14.6
74.00665	18.0
74.02450	3.1
76.02235	16.0
76.04021	2.4
79.05489	2.4
81.03397	1.6
81.07060	3.3
82.06592	3.0
83.06081	1.7
84.04509	100.0
84.08153	13.9
85.02912	3.9
85.04050	7.8
86.09708	22.6
86.90234	1.5
88.02214	6.5
89.04282	3.9
92.01718	3.3
92.98325	2.9
96.08138	25.4
97.06535	2.2
99.02682	24.7
101.04244	5.3
102.05523	1.4
104.05265	1.5
104.98321	31.2
105.07096	1.9
105.07798	1.4
106.99949	1.4
107.99418	9.5
109.02874	1.5
110.06052	1.5
110.07140	2.0
112.03989	15.1
113.03480	2.3
113.04195	3.2
114.03738	2.3
114.04530	1.8
114.05524	1.7
115.05814	2.2
116.01666	8.6
116.05323	33.7
116.07069	11.9
120.08104	7.2
120.30608	1.5
121.01441	3.2
124.07612	21.8
125.05930	1.8
126.09170	4.1
129.06607	2.4
129.10240	3.4
130.05016	34.9
130.06502	1.6
130.99864	2.5
131.04515	6.9
136.07529	1.4
142.03244	5.0
142.04967	1.6
142.08636	16.5
143.11809	2.6
144.01125	1.9
144.04762	2.5
145.06088	4.2
147.03009	8.3
148.02509	7.6
153.05489	2.0
155.04503	2.7
162.02208	9.9
162.05894	1.7
167.00209	1.7
169.13370	3.0
170.08133	82.7
174.00450	3.5
174.18518	3.6
177.03307	20.3
179.04851	25.4
181.06113	1.6
188.02039	2.0
191.04762	1.7
195.03374	3.0
197.12955	1.3
202.05333	23.0
210.99181	1.7
211.02100	12.4
213.12349	4.1
217.06413	2.0
219.08000	60.0
227.05086	1.5
245.05899	2.0
245.09476	2.9
251.05206	25.6
273.08954	7.9
285.03952	6.0
285.15659	1.7
291.06622	2.6
305.06158	5.0
308.09082	4.0
325.07159	4.1
330.11365	1.6
348.12277	52.5
379.07822	2.5
380.09457	33.4
414.73267	2.1
451.45334	1.5
454.11435	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	563.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32105	2.0
50.33101	2.1
51.78376	2.1
53.03957	1.9
55.01877	2.6
55.05521	2.3
55.56149	1.8
57.03448	3.1
58.99587	10.5
61.01146	3.1
62.99086	2.6
67.05496	9.4
68.26791	1.8
69.03437	26.2
69.07082	26.0
70.06593	8.4
73.01160	4.3
79.05488	11.0
81.07056	4.4
84.08151	5.8
85.02917	26.9
86.09708	8.8
91.63631	1.8
95.01329	41.5
95.04970	7.0
97.06539	26.0
99.02692	5.8
101.04250	20.4
102.96770	6.8
103.97518	2.2
104.98344	7.4
110.07182	4.0
110.79642	1.9
111.02663	4.8
112.03461	7.4
113.04241	100.0
114.05065	3.4
115.02197	3.2
115.05801	3.4
115.07529	4.4
120.08150	2.9
123.08087	2.8
125.06001	37.6
127.03950	2.8
129.03711	24.0
130.04442	9.5
130.99904	2.4
131.05280	50.6
133.01445	3.0
141.05469	3.5
142.99907	3.5
145.01407	14.9
147.04729	2.1
151.03983	2.4
153.05476	39.1
160.31741	1.9
161.00916	2.3
163.02470	5.1
168.92693	2.7
184.13779	1.8
193.98978	3.0
194.99710	3.9
197.04483	2.5
203.05478	2.0
215.05531	24.1
219.05019	2.7
240.82423	2.2
254.62993	2.3
258.94183	9.6
284.00317	3.6
292.96228	2.4
316.98398	2.7
325.46167	2.3
348.95715	3.6
523.35028	3.0
555.77466	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	562.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01863	2.5
55.05513	7.4
55.73871	0.9
56.05027	1.6
57.03443	6.9
60.04523	1.2
61.02917	3.4
63.23693	1.1
69.03428	9.7
70.06598	8.9
71.01371	1.3
71.04995	33.6
71.54516	1.5
72.08153	6.5
73.02909	3.3
74.06080	2.5
75.04475	6.2
81.03422	5.0
83.04986	83.1
84.04489	4.8
84.08142	5.3
85.02909	100.0
86.09716	12.2
87.04458	2.7
87.04987	0.9
88.03987	2.0
94.30205	1.0
97.02895	19.8
99.04453	4.7
101.06024	2.7
102.05542	2.8
103.03924	1.2
107.04943	1.5
109.02891	5.2
111.04449	45.5
115.47964	1.1
117.52458	1.0
121.06507	1.2
127.03935	17.1
129.05487	47.6
129.10226	3.1
136.07549	2.6
140.07033	1.5
145.04970	15.9
147.06531	24.1
153.05392	1.1
163.06100	4.9
163.07306	1.3
163.52545	0.9
165.07568	1.5
171.06429	1.1
177.05473	1.6
193.53909	1.1
201.12613	1.9
203.10286	2.1
231.09738	3.8
237.07558	12.0
255.08665	12.8
273.09677	12.6
308.13528	1.3
309.11853	8.8
344.18100	1.3
361.56860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
55.05508	2.6
55.40052	0.8
58.06605	5.0
58.99599	4.4
61.01152	12.4
65.03926	1.5
67.05502	2.5
69.07054	1.9
70.06587	3.3
70.99573	1.0
71.16051	1.6
73.01146	100.0
74.00661	1.8
74.02431	1.0
75.02698	2.7
76.01888	0.9
76.02243	9.2
76.03999	1.3
79.05486	2.2
81.07054	1.4
83.06120	0.8
83.08601	2.6
84.04039	1.6
84.04508	20.4
84.08151	1.7
93.07071	0.9
95.04990	1.2
96.08131	3.0
96.92432	1.2
99.02676	9.5
101.04237	1.3
104.98321	72.8
105.07082	0.9
106.99880	4.5
107.08620	1.3
112.03984	6.3
113.04190	1.1
115.05759	1.3
116.01669	3.5
116.05328	20.5
116.07088	5.9
118.99818	1.1
119.08559	1.9
124.07628	4.4
130.04987	5.4
138.97054	3.9
142.03229	2.0
142.08624	1.8
144.01166	1.1
146.58083	1.1
146.72102	0.9
147.02985	29.5
149.04552	49.0
162.02191	4.8
170.08154	16.4
177.03299	3.7
179.04852	10.5
181.01772	21.1
182.06384	1.1
202.05356	14.1
211.02049	1.2
219.07993	29.8
219.10101	1.6
223.13379	1.5
245.09637	1.5
251.05156	4.3
255.03699	5.4
256.48288	0.9
273.08939	4.3
273.18448	1.2
291.19522	9.9
308.09091	1.7
330.10681	1.1
347.25888	1.1
348.12296	8.3
365.23242	5.2
380.09387	1.6
380.86234	0.9
487.08670	0.9
532.51459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.8
53.03951	7.0
55.01876	3.4
55.05518	18.6
57.07084	3.6
59.05009	2.6
61.22680	1.4
65.03948	5.5
67.05511	78.9
69.03434	4.2
69.07075	18.7
71.04997	50.6
79.05145	0.9
79.05502	61.7
81.07063	100.0
83.04977	11.6
83.08631	13.2
84.90166	1.9
85.06557	6.2
91.05489	62.3
93.07053	64.7
95.04972	8.0
95.08614	31.8
96.02119	1.6
97.06551	10.2
97.10184	2.9
105.07043	33.9
107.08607	33.5
109.06537	3.3
109.10155	17.0
111.08106	3.8
115.05506	1.8
117.07044	12.2
119.08598	14.3
121.10153	22.0
123.08040	1.9
123.11722	15.2
127.22203	1.5
129.07054	2.0
129.75548	1.7
131.08595	14.7
133.10147	27.1
135.11719	10.2
139.11163	1.6
143.08571	1.9
145.10141	6.6
147.11714	4.7
149.13274	12.9
151.11194	13.2
151.25113	1.6
159.11678	8.3
161.13287	4.8
171.11720	1.8
173.13333	2.9
177.12762	5.4
183.13824	19.2
187.13297	3.5
187.14851	2.4
195.13879	6.6
244.42891	1.6
248.47783	1.8
257.17529	2.2
261.22269	4.4
269.17511	3.5
283.19131	3.3
285.17133	2.7
293.21393	1.8
313.64484	1.6
317.25098	1.7
349.27634	1.6
356.66309	1.6
361.27548	2.2
363.25403	2.8
404.79465	2.1
517.38855	24.0
529.38898	7.9
541.37830	2.1
561.41510	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.0
53.00314	0.9
53.03957	5.1
55.01870	1.7
55.05263	1.3
55.05516	22.3
55.05782	1.2
55.78771	0.8
57.03434	3.5
57.07064	2.5
59.04997	1.7
61.02929	2.6
65.03947	4.3
67.05510	84.4
69.03433	3.2
69.07073	17.9
71.04998	55.3
77.03951	1.8
78.49892	0.8
79.05498	61.4
81.03412	1.4
81.07063	100.0
83.04982	11.1
83.08627	8.4
85.06554	6.4
91.05486	65.2
93.07047	65.6
93.37495	0.9
95.04976	6.5
95.08609	36.8
97.06534	8.9
97.10181	1.7
99.08113	2.7
105.04539	2.1
105.07040	33.7
107.08603	32.9
109.06541	3.2
109.10156	15.9
109.94955	0.9
111.08095	4.0
113.09699	1.1
114.15781	0.8
115.05550	1.1
117.07014	10.4
119.08580	11.3
121.10152	24.9
123.08079	1.8
123.11719	20.6
125.09621	1.6
129.07031	1.3
131.08583	14.9
133.10138	33.6
135.08063	1.5
135.11699	14.8
143.08502	1.6
145.10143	6.5
147.11661	6.1
149.09666	1.6
149.13269	12.3
151.11180	15.0
157.10187	1.3
159.11723	12.1
161.13277	3.0
163.14880	1.2
169.12277	1.2
173.13284	4.1
175.14822	2.1
177.12698	4.5
183.13829	22.0
185.13428	1.1
187.13329	2.7
187.14879	2.1
195.13806	7.1
201.14923	1.3
213.14845	1.4
227.16451	1.9
238.07669	0.9
243.20868	1.2
257.17532	2.1
261.22217	4.7
269.17563	3.0
283.19150	3.9
285.17096	3.8
293.21216	1.4
317.24704	1.2
335.25909	1.9
349.27505	1.6
361.27405	3.1
363.25540	2.7
376.66101	1.0
437.34061	1.6
447.22711	0.9
485.35715	1.0
517.38885	30.5
529.38879	9.6
561.41565	82.0
562.41785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01868	0.9
55.05509	2.6
56.05012	0.7
57.03189	0.9
57.03445	13.4
59.04998	0.7
64.12573	0.7
67.05509	3.2
67.33151	0.6
69.03443	1.4
69.07069	2.6
70.06597	1.9
70.81013	1.8
71.01350	0.9
71.05000	80.4
71.08643	2.5
73.02919	2.0
75.04485	3.0
77.98944	0.6
79.05506	4.5
81.07064	17.1
81.61095	0.7
83.05000	4.8
83.08614	0.8
84.04514	0.9
84.08149	1.7
85.02912	100.0
86.09713	2.1
87.04473	3.5
91.05464	3.2
93.07053	5.1
95.04948	1.1
95.08619	10.5
96.13873	0.7
97.06551	2.1
99.04468	1.6
99.08134	1.5
102.05711	0.7
105.07050	5.0
107.08620	4.3
108.92378	0.8
109.10186	2.2
111.04478	3.9
117.07053	1.9
119.08572	5.8
121.06511	2.2
121.10141	3.6
128.06268	2.1
129.05502	22.5
129.06932	3.3
131.08586	8.7
132.79422	0.7
133.10133	4.9
137.09630	1.2
139.07538	2.7
141.06979	1.2
142.07832	2.1
143.08574	11.5
145.06575	0.8
145.10138	10.9
147.06557	5.2
147.08113	1.3
147.11734	3.7
149.13297	1.9
153.12799	2.5
154.07806	1.0
155.08578	8.8
157.10150	12.0
157.61089	0.7
159.11702	5.9
161.09673	1.7
161.13300	2.2
163.11168	0.8
166.96622	0.9
167.08612	2.8
169.10144	6.6
171.11752	5.3
173.09695	2.5
175.11172	4.1
180.09242	1.1
181.10103	4.4
183.11696	4.5
185.13258	3.6
187.11221	3.7
187.14828	1.5
193.10202	1.1
194.10918	1.0
195.11693	8.8
197.13333	2.4
199.11215	1.5
199.14883	2.0
201.16391	0.7
207.11746	2.0
209.13275	8.1
210.14081	1.6
211.14949	2.2
221.13371	2.0
222.14087	2.2
223.14857	4.0
225.12808	0.8
225.16444	3.0
227.18030	1.1
236.15651	2.4
240.15382	0.9
241.19463	3.5
249.16484	1.9
251.17987	42.5
253.19624	2.3
267.17505	4.0
267.19897	0.7
269.19034	82.3
270.19415	0.8
271.20569	1.5
273.22299	0.9
281.22760	1.2
285.18619	1.3
287.20084	13.3
287.23163	1.2
293.18933	0.9
295.10547	0.7
297.18610	2.0
297.22141	0.7
299.23849	1.0
309.69565	0.8
323.20041	1.2
340.83463	0.7
353.21063	0.8
361.21814	1.2
361.29028	1.0
379.22821	1.9
379.30048	3.8
381.22705	0.9
397.23755	7.0
397.31018	5.9
415.24673	5.0
433.25916	28.6
439.72302	0.7
459.25552	0.7
561.29663	1.4
561.37921	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	560.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.1
59.37043	11.9
67.05513	80.5
69.07061	16.1
71.56044	18.0
79.05480	29.5
81.07081	68.0
91.05492	27.3
93.07037	54.6
95.08607	47.7
105.07037	33.8
107.08589	30.9
109.10168	44.3
109.75889	12.8
113.39588	11.5
117.07053	12.1
117.72895	11.9
119.08591	16.4
121.10154	36.6
123.11689	19.5
129.03758	13.9
131.08600	17.7
133.10101	21.8
135.11661	26.4
145.10219	14.9
149.13281	23.7
159.11784	15.1
173.13203	18.2
243.21049	44.0
261.22174	100.0
292.19952	18.5
335.25745	19.8
353.26959	29.7
371.24225	14.4
385.27802	12.5
464.90451	14.5
582.14130	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	560.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22702	12.9
55.05499	21.9
58.43641	13.5
60.13137	13.2
67.05514	62.9
67.05815	13.1
71.55979	21.8
79.05492	34.1
81.07059	100.0
83.37231	15.1
83.89725	11.3
86.09702	14.3
93.07029	41.9
95.08592	32.7
97.06519	10.7
98.73424	13.3
105.07068	16.6
107.04934	12.9
107.08584	36.9
109.10158	40.2
113.04214	18.4
121.10164	20.8
123.11683	15.4
124.99980	12.7
133.10130	19.3
135.11688	27.1
145.10091	17.1
149.13252	19.0
159.11687	20.7
184.07315	16.9
194.54897	11.9
243.21121	21.9
261.22208	67.2
279.00717	13.9
335.25909	21.9
353.26944	26.4
353.38547	13.1
393.33347	12.6
417.85867	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
55.05514	20.4
56.05039	2.3
56.18953	1.2
58.06611	7.0
58.99318	1.8
58.99590	20.5
61.01157	31.6
65.03936	1.5
67.05510	6.0
68.05022	2.1
69.07072	10.7
70.06586	6.2
70.76097	2.6
70.99568	2.2
73.01147	33.6
74.00668	4.7
74.02421	1.7
75.02708	3.0
75.36031	1.3
76.02232	16.3
79.05505	7.1
79.25735	1.0
81.07063	14.8
81.35648	1.1
82.06593	1.5
82.07829	1.6
82.83409	1.1
83.08624	26.5
84.04511	40.2
84.08141	3.1
85.01133	8.0
85.03990	1.6
86.06009	1.2
86.09718	1.5
86.99068	1.8
87.02696	18.3
92.01706	1.3
96.08135	8.4
97.01102	1.1
99.02053	2.1
99.02688	33.3
101.04247	9.7
102.64507	1.3
102.96682	1.2
104.98327	96.7
111.02674	1.2
112.03304	1.9
112.04061	9.4
113.04238	43.2
114.05031	9.7
115.05795	23.0
116.01697	7.8
116.05326	39.6
116.07095	11.9
116.98326	18.5
118.99870	46.4
119.00732	2.4
124.07619	6.5
126.09093	1.4
127.02231	1.1
130.05023	12.1
131.04541	2.1
136.95461	2.1
139.06407	1.2
142.03201	4.3
142.08635	5.3
144.01186	2.4
145.01414	12.1
145.03159	1.4
146.02191	5.0
147.02983	92.1
148.02493	2.9
160.00632	1.7
162.02199	8.3
170.08142	35.5
177.03352	8.0
178.36382	1.2
179.00201	100.0
179.04848	18.8
182.06392	1.2
202.05345	27.6
202.17099	1.2
219.07997	60.7
233.05838	2.3
245.05968	2.1
245.09564	2.3
251.05220	9.8
253.02126	2.9
273.09018	8.2
283.02289	1.4
291.06308	1.4
305.06207	1.5
308.08963	2.2
317.01132	1.3
329.91608	1.2
348.12305	13.9
380.09702	1.6
435.80118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01869	1.0
55.05502	2.8
57.03430	1.3
61.02925	2.4
66.80704	0.4
67.05507	11.2
68.72715	0.5
69.03443	5.3
69.07072	19.6
70.06580	2.0
71.23700	0.5
71.24017	0.6
72.08134	0.5
73.02897	0.6
73.06574	2.5
79.05495	4.3
81.03423	2.7
81.07063	12.1
84.08150	0.8
85.02907	14.2
86.09683	0.8
87.04462	1.0
91.03930	1.1
91.05484	4.9
93.07045	6.4
95.04951	1.0
95.08587	3.9
97.02908	6.0
97.06537	5.9
99.04452	1.4
105.07040	7.6
107.08605	5.3
109.02865	2.1
109.06531	7.4
109.10165	28.0
115.03827	0.5
115.06785	0.8
115.07574	10.7
117.06995	2.5
119.08598	3.1
121.06410	0.5
121.10149	9.6
123.11694	1.9
125.09585	1.0
127.03933	3.3
127.11202	1.0
128.06236	0.9
129.06989	3.5
129.10262	0.5
131.08572	4.9
133.10139	20.5
135.11705	1.4
141.07019	1.4
142.07756	4.8
143.08578	5.7
145.04962	2.9
145.10130	7.1
147.11700	29.3
149.13235	1.2
151.64026	0.6
155.08434	0.8
157.10141	35.3
159.11717	6.8
161.13228	1.3
167.10699	6.1
171.11676	3.4
173.13274	3.0
183.11679	2.5
185.13219	1.6
197.13277	1.9
199.14656	0.7
209.13232	0.6
211.14868	1.6
213.16501	0.6
224.15674	0.8
225.16316	0.6
227.18161	0.5
234.98891	1.0
253.19525	100.0
254.19804	1.4
255.21094	1.2
269.13776	0.7
271.20551	2.1
283.24066	2.6
379.03119	0.5
379.29846	2.1
397.31039	30.1
398.31619	0.8
406.14590	0.6
523.34106	0.8
559.36658	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09145	2.1
53.03933	7.9
54.04922	2.3
54.54398	2.4
55.01860	3.3
55.05274	2.1
55.05519	32.1
57.03429	10.3
63.90858	2.7
65.03950	4.5
65.27595	2.4
67.05509	89.7
69.07075	24.3
71.04949	2.5
79.05499	100.0
81.03415	5.7
81.07065	93.4
83.05012	12.2
83.08623	12.4
85.06514	2.7
91.05487	64.4
93.07054	90.9
95.04973	17.9
95.08614	63.5
97.06522	7.0
97.10183	4.4
102.09181	3.0
105.04507	2.6
105.07034	47.3
105.65029	2.2
107.04944	4.9
107.08598	34.8
109.06507	4.7
109.10159	21.1
111.08022	2.9
115.14105	2.5
117.07030	15.2
119.08588	29.4
121.06506	4.3
121.10139	18.0
123.08055	8.9
123.11710	3.5
129.07024	17.2
131.08572	20.5
133.10135	19.7
135.11688	15.6
143.08559	10.3
145.10121	23.2
147.08018	3.3
147.11696	37.0
149.13222	11.5
155.08490	3.2
156.09409	3.0
157.10156	5.4
159.11700	12.5
161.09628	3.8
161.13283	14.4
163.14821	3.7
169.10207	4.8
171.11693	27.3
173.13272	6.8
175.14850	2.9
177.12799	2.9
183.11700	3.8
187.14870	3.8
189.12778	10.0
193.12155	2.6
197.13287	3.4
207.13867	18.8
225.14885	3.9
243.21004	3.6
256.26291	3.7
257.26831	3.8
261.22141	18.9
279.15961	4.8
281.17465	52.7
317.24728	3.1
335.25830	33.5
449.34216	5.8
485.36108	2.8
529.38696	3.5
541.38947	83.4
559.39008	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	559.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95900	1.1
55.35220	1.1
56.96571	50.4
62.77046	1.1
69.73116	6.5
69.75997	1.3
70.06583	1.5
71.95270	2.1
74.97623	1.1
84.96051	15.4
85.02896	1.7
88.93754	6.2
98.21480	2.1
98.97593	13.2
102.97154	1.2
104.62263	1.2
110.97597	4.3
112.99162	1.9
115.00713	1.3
116.93233	3.2
116.98627	5.2
128.96880	2.6
128.98640	5.9
129.94048	1.3
131.00150	2.9
134.94287	1.8
134.99672	2.3
140.98611	2.0
141.02228	2.8
143.00177	1.5
146.97888	52.4
146.99733	2.4
149.01199	1.3
158.99690	3.5
159.03366	2.2
161.01244	2.2
164.98959	66.3
170.97987	4.3
170.99673	5.1
172.99533	2.3
177.00764	2.8
179.00563	1.2
182.99982	11.9
187.02844	2.3
188.00513	1.5
188.98962	32.8
189.00726	3.5
191.00554	8.5
191.02148	1.7
201.00786	8.8
207.00012	42.5
209.01581	1.6
216.98369	6.7
219.01808	7.6
225.01146	3.1
229.68707	1.1
231.00034	2.9
234.99493	76.5
237.02783	5.9
243.01990	1.4
245.05191	1.5
249.01115	2.6
253.00560	100.0
254.00804	2.0
258.01154	2.7
261.03030	5.1
263.95630	1.2
271.01544	4.1
276.02124	2.1
276.97421	2.0
277.00522	35.1
279.04019	2.3
289.00592	4.7
295.01584	9.3
307.01532	13.9
308.01660	1.1
337.02664	13.4
361.02652	7.9
379.03711	64.2
391.66254	1.3
397.04782	72.5
439.05853	1.5
469.08002	3.2
478.08957	1.3
534.09009	1.1
559.10046	63.1
560.10571	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.4
55.05512	1.3
56.02191	0.6
56.05027	2.3
58.06598	6.3
58.99577	1.6
59.06934	0.7
60.04530	2.8
61.01162	1.2
67.19080	0.5
68.05025	1.8
69.03446	0.6
70.06593	100.0
70.54053	2.0
71.06948	1.1
71.54747	0.6
72.08159	18.8
73.01144	1.5
74.00664	4.8
74.02442	0.5
74.06083	11.1
76.02241	2.1
76.04015	1.7
79.25401	0.5
82.06604	1.0
83.06101	0.8
83.07363	1.0
84.04507	12.5
84.08147	6.4
85.02920	1.6
85.04024	3.5
85.04839	2.2
85.08487	0.6
86.09709	13.8
87.05604	0.8
88.04012	1.0
92.01698	1.4
95.06115	0.6
96.08143	1.1
97.02901	0.7
98.06078	1.6
99.02686	3.1
100.02992	0.7
102.05564	2.4
104.98318	2.9
105.98684	0.6
107.99429	2.8
110.07188	1.4
112.03957	3.5
112.07640	0.9
113.03522	1.4
113.04281	1.4
115.08693	4.9
116.01707	1.6
116.05324	6.3
116.07089	11.7
117.05640	0.9
117.07457	1.6
118.08710	1.4
120.08071	0.8
125.07178	0.8
129.06644	1.0
129.10257	2.0
130.05013	13.5
131.04539	2.0
131.05379	2.7
132.04935	0.6
132.10214	3.9
136.07610	1.7
139.08670	3.2
140.07083	0.8
141.10236	1.3
142.08673	1.4
143.08171	3.8
147.07692	1.1
148.02461	3.3
148.06088	0.8
149.02615	0.7
155.08202	1.1
157.09737	10.2
158.02650	0.6
161.09244	2.9
162.02245	1.6
167.08176	10.6
167.09439	0.9
169.09785	1.2
169.13393	1.1
169.64954	0.6
170.08107	4.4
171.07677	2.1
171.11334	0.9
171.14961	1.5
173.09259	0.9
173.12936	0.6
177.03304	7.7
178.03558	2.1
179.04889	2.0
180.05244	0.9
185.09235	8.5
185.16583	0.6
187.14401	1.0
189.08647	3.0
197.12936	1.1
199.07208	1.2
199.14575	1.4
202.03734	0.6
202.05289	2.9
203.05806	1.1
203.10442	0.8
211.02145	2.2
212.02386	1.1
214.11958	0.6
215.13887	8.0
219.05847	1.0
219.07968	8.6
220.08321	5.2
224.10426	0.9
229.11957	1.1
231.04420	1.2
232.04855	1.1
233.14980	6.1
234.98912	0.6
240.13495	1.7
242.15094	1.3
245.74947	0.6
250.11995	1.7
251.05214	11.8
252.05495	7.7
253.04779	1.1
262.10541	1.2
268.12988	8.3
277.00296	0.7
284.15921	1.0
286.14050	3.0
300.15762	1.3
305.06235	0.9
307.08249	1.1
308.09100	1.2
309.15845	0.7
320.18161	1.2
327.16788	1.5
340.06436	1.1
349.12823	1.2
361.17548	0.9
380.09677	1.2
381.09882	1.6
381.21375	4.6
392.19550	1.3
399.22400	5.8
410.20447	2.2
417.23450	46.2
428.21368	0.8
429.09723	1.3
430.09549	3.5
439.05249	0.6
442.23328	0.8
467.89853	0.6
484.10818	2.5
488.27536	0.8
523.28693	2.0
541.13080	0.7
541.30219	1.3
559.13702	0.9
559.31305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18203	1.0
56.96569	56.3
59.63462	1.2
65.84921	0.9
70.37431	3.3
71.95260	2.6
74.97614	2.7
84.08128	1.2
84.96043	16.4
85.99199	0.9
88.93751	6.9
98.97589	9.4
102.97078	2.1
103.00690	1.4
110.97592	4.1
112.99146	3.2
115.00748	2.4
116.93219	3.2
116.98637	4.7
119.01963	1.7
120.02036	1.4
128.96915	5.0
128.98613	2.9
131.00208	2.1
133.01698	1.4
134.99657	1.3
143.00172	1.2
145.03397	1.6
146.03645	1.3
146.97884	68.1
149.01250	1.1
155.01964	1.6
158.99698	1.9
161.01230	2.0
164.98958	95.4
169.03508	1.0
170.99681	3.2
177.00742	3.0
179.00575	1.2
182.99991	16.6
185.03041	2.0
186.03275	1.5
187.04610	1.3
188.00633	2.3
188.04688	3.1
189.00752	4.6
190.02109	15.7
201.00772	6.8
204.02000	1.5
204.99200	1.4
207.01820	1.3
208.03185	2.4
211.05060	1.2
215.99959	7.3
219.01804	5.6
219.08015	1.1
230.99805	1.7
234.01088	86.9
237.02849	2.3
243.01776	2.7
245.05089	2.3
246.03021	1.4
246.05412	2.0
252.02162	100.0
257.02765	3.6
261.02823	6.7
266.03812	1.5
270.03299	3.2
275.03882	1.6
276.02139	44.4
279.03989	3.8
288.02298	3.0
291.03992	1.8
294.03186	8.3
306.03107	14.3
321.05051	1.5
336.04257	14.4
360.04434	4.0
378.05322	62.0
396.06409	56.9
397.06647	1.2
454.08636	2.0
468.10229	7.5
558.11700	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95261	1.3
55.01868	10.0
56.05037	3.6
58.06606	27.0
58.99583	6.1
61.01146	4.4
67.05516	2.5
68.05032	7.6
70.02973	1.7
70.06596	21.1
71.54913	2.4
72.08149	2.4
73.01142	6.3
74.00272	2.5
74.00671	33.4
76.02233	13.4
76.04008	5.5
82.06588	3.4
82.41515	1.3
83.06107	5.3
83.07368	6.5
84.04509	53.9
84.08153	17.7
85.04031	16.2
86.09711	4.9
86.55363	1.3
92.01703	7.5
96.08154	8.4
97.47649	1.3
99.02681	24.8
101.04224	1.8
102.05525	2.0
104.98327	17.1
107.99413	15.2
110.07188	2.5
112.03965	21.2
113.03488	6.5
113.23670	1.4
114.03725	2.5
116.01674	6.2
116.04550	2.8
116.05329	38.0
116.07092	33.3
124.07601	5.5
129.06609	4.9
129.10274	3.7
130.04031	3.5
130.05014	63.3
131.04543	18.7
142.08672	4.3
144.01118	2.9
148.02498	20.4
149.05956	1.4
153.06589	1.5
155.08188	5.2
156.06573	2.0
159.02214	1.5
160.00597	2.7
162.02220	6.6
170.08122	27.7
176.02010	1.8
177.03304	49.4
179.04880	10.6
181.05977	1.9
185.03859	3.9
188.02025	4.9
199.07228	1.8
202.05344	19.2
211.02081	19.0
213.12350	3.0
219.08000	62.9
231.04405	8.4
233.05919	3.4
234.02632	2.5
251.05219	100.0
265.03165	5.9
273.09045	3.9
288.06723	1.9
305.06348	2.9
308.09030	4.4
340.06366	6.5
348.12350	6.3
380.09650	10.4
429.09467	26.4
483.10425	8.9
540.12543	2.9
548.82520	1.8
558.13422	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	558.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62528	1.4
55.01873	5.0
55.05496	5.9
55.05781	1.4
56.05027	5.0
58.99582	8.4
59.06113	2.0
60.04522	4.5
62.33025	1.4
65.03921	1.7
66.99847	1.4
67.05489	6.3
69.03420	2.0
69.07071	9.3
70.02955	1.9
70.06595	44.5
70.58355	1.4
71.55237	1.9
72.08161	22.8
73.01138	1.9
74.00661	7.4
74.06078	6.8
75.01444	6.1
76.02232	15.0
76.04008	14.7
77.03386	1.4
79.05493	4.9
81.07050	5.6
82.06618	2.1
83.06103	3.8
84.04044	2.1
84.04514	29.5
84.08155	18.0
85.02904	3.2
85.04038	38.3
85.06543	5.2
86.09216	2.4
86.09715	38.7
87.05592	2.4
88.03980	3.4
90.68928	1.5
91.05453	2.1
92.01698	3.1
93.07027	2.2
95.04978	2.0
95.08595	5.3
96.04436	1.9
96.08125	2.8
97.02906	1.8
97.06503	2.5
99.02673	12.6
99.05572	3.9
99.08092	2.4
100.02205	8.7
100.03951	2.4
101.04229	5.0
101.07119	1.7
102.00107	1.7
102.05561	2.9
104.98270	2.1
105.62401	1.6
105.97839	34.6
107.08626	2.0
107.99366	2.2
109.07624	1.9
109.10137	1.9
110.06040	3.0
110.07159	2.8
111.02672	64.2
111.08060	4.9
112.03381	12.4
112.04093	2.1
112.08724	2.1
113.03489	11.2
113.04224	65.7
114.05018	2.9
115.00856	2.4
115.08684	2.4
116.01654	3.6
116.07080	2.1
118.97907	1.6
121.06533	1.6
125.09742	1.7
127.05046	4.1
127.08668	2.5
129.03679	3.3
129.06607	4.3
129.10255	11.0
130.03271	11.1
130.05028	26.4
131.04529	90.7
136.07558	3.2
139.03255	5.4
139.11198	1.8
140.01628	3.7
142.03239	4.3
142.99855	65.9
143.04549	7.9
143.11848	2.8
145.01335	10.5
145.06058	5.5
153.06607	3.7
155.08115	4.4
157.09669	1.8
158.02718	12.1
159.02242	3.2
159.11708	1.6
160.00618	2.1
161.00919	3.9
162.02168	6.1
163.02473	52.1
163.03838	2.8
168.05281	5.1
169.13411	2.1
171.07681	7.0
171.11247	2.6
173.13040	2.6
174.97067	77.5
177.03308	22.5
179.04828	9.1
181.06120	7.7
183.14948	2.1
185.03810	35.7
185.05505	2.5
185.09221	1.8
194.99664	5.7
197.12679	1.7
199.07169	5.2
202.04065	9.1
203.10283	2.0
205.06473	3.1
209.00500	44.4
211.07146	2.0
218.01308	8.9
219.08060	2.2
229.15515	3.6
231.04364	88.3
232.05161	6.1
233.05942	2.1
236.02336	18.2
243.04375	2.3
243.08459	4.1
251.05176	5.1
256.09174	2.6
274.10526	1.8
287.23755	2.0
288.06390	9.2
289.07169	5.6
302.03546	2.1
306.07870	1.8
307.08224	17.0
316.18716	6.0
321.04050	11.1
326.03806	9.2
339.05029	100.0
340.05600	5.3
375.05209	1.8
380.09384	4.6
380.27365	1.7
393.06094	35.2
394.07257	1.9
405.06363	7.9
429.06583	7.7
450.08398	8.2
465.81119	1.8
468.09360	51.8
469.09872	3.3
558.10529	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	558.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
55.05489	3.6
56.05032	1.7
58.92495	1.4
58.99588	9.2
59.06139	1.6
60.04522	2.5
65.03920	1.7
67.05490	5.5
69.03431	1.6
69.07059	3.8
70.06597	15.5
70.23637	6.5
72.08163	15.7
74.00676	9.1
75.01432	6.2
76.02245	17.6
76.04004	13.1
79.05479	3.5
81.07072	3.1
83.04966	1.3
83.06091	4.9
84.04508	28.9
84.08150	7.1
85.02901	2.1
85.04038	46.9
85.06523	3.2
86.09712	16.7
88.02206	2.2
92.01698	5.5
95.08608	2.2
96.04481	2.5
99.02698	14.7
99.05582	6.8
100.02197	8.5
100.04010	3.7
101.04244	3.5
102.03724	1.9
102.05575	2.4
104.98344	2.1
105.97849	32.6
107.06083	1.7
107.87041	1.7
107.99396	2.3
109.07623	2.0
110.06068	3.4
110.07143	1.7
111.02673	63.5
111.03439	3.1
112.02229	1.9
112.03379	12.2
112.04086	3.0
113.03487	12.7
113.04225	58.4
114.04996	2.8
115.00842	1.9
116.01699	2.7
121.10117	1.8
123.11747	1.7
124.10892	1.5
127.02161	2.1
127.05071	3.1
129.03659	1.8
129.06622	3.3
129.10211	5.1
130.03278	12.1
130.05017	26.7
131.04533	83.3
132.03506	2.1
139.03241	5.2
140.01636	5.4
141.06567	1.5
142.03195	2.7
142.99855	61.5
143.04514	9.1
143.08455	1.5
145.01346	8.5
145.06107	6.8
145.10025	1.8
152.05289	1.6
153.06552	2.8
154.06836	2.3
155.08124	1.7
158.02711	11.9
159.02281	3.2
161.00993	4.5
162.02249	5.6
163.02481	46.7
168.05336	3.9
171.07635	9.5
173.12997	1.9
174.97073	69.0
177.03302	22.8
179.04881	5.6
181.06093	7.1
185.03825	43.1
185.05495	2.6
185.16530	3.0
186.06308	1.9
187.05334	2.2
189.24593	1.5
193.06123	2.5
194.99725	6.3
199.07156	7.2
202.00079	1.8
202.04053	7.5
205.06508	3.7
209.00517	42.4
218.01305	9.0
231.04364	97.4
232.05125	7.7
233.06114	2.9
236.02373	12.1
243.04399	1.5
243.08549	2.3
251.05159	4.7
288.06427	9.8
289.07230	6.1
305.06125	2.8
307.08353	17.3
321.04086	10.7
326.03751	3.6
339.05057	100.0
340.05667	6.2
380.09299	4.6
393.06097	44.3
394.06326	2.6
405.05997	6.1
429.06442	5.8
450.08228	11.1
468.09351	41.7
469.09967	3.1
558.10620	2.1
558.25775	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
54.14557	3.4
54.83590	3.1
55.01865	4.4
55.05510	22.0
57.03440	8.1
57.07074	6.2
61.80206	3.3
67.05515	50.6
69.07078	23.5
71.56213	5.8
76.51302	3.3
79.05499	35.4
81.03392	4.0
81.07053	46.9
83.04981	7.2
83.08620	12.0
91.05487	46.4
93.07058	37.9
95.04976	10.4
95.08627	29.6
97.06553	7.1
97.10175	6.4
104.10681	3.9
105.07040	38.8
107.04964	6.5
107.08605	25.3
109.06508	4.9
109.10167	12.7
117.07012	22.1
119.08587	28.2
121.06523	4.7
121.10143	12.4
123.08125	4.9
123.11716	5.4
125.09702	4.5
128.06195	4.3
129.07024	22.5
131.08585	31.8
133.10135	21.6
135.11732	11.7
141.07021	13.3
142.07770	6.0
142.36809	3.2
143.08606	22.4
145.10150	31.1
147.11705	20.6
149.13284	7.1
155.01051	4.4
155.08568	15.3
156.09372	4.1
157.10139	26.7
159.11703	20.0
161.13281	13.4
163.14874	4.9
167.08543	6.5
169.10109	25.6
171.11684	24.3
173.09590	5.2
173.13283	12.3
175.14862	6.1
176.12329	3.2
181.10165	13.6
183.11711	16.9
185.13290	14.1
187.11223	5.5
187.14868	4.6
189.12836	3.9
193.10188	5.9
195.11749	13.9
197.13315	13.0
199.14862	8.4
207.11786	6.2
207.13722	4.3
209.13304	11.2
211.15030	3.7
213.16353	9.4
221.13350	4.6
223.14909	5.0
241.19450	7.5
257.19238	4.2
259.20566	13.7
279.16180	3.7
281.17554	10.5
331.49094	3.4
333.24277	6.2
431.75482	3.4
437.34186	12.1
447.32547	25.9
465.33646	33.8
483.34802	17.1
501.35776	4.8
521.36304	9.9
539.37457	100.0
557.38562	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
53.87885	0.9
55.05513	5.1
57.03443	6.5
57.07081	26.0
67.05509	11.1
69.03428	1.0
69.07076	7.5
70.14817	0.8
71.04998	1.1
71.08636	21.3
75.28555	1.0
81.03429	7.9
81.07065	15.8
83.08635	8.8
85.02909	1.1
85.10189	11.8
91.05434	1.2
93.07049	1.2
95.08620	18.7
97.09543	0.9
97.10142	4.5
98.98473	85.4
99.04465	1.3
109.02902	5.8
109.10162	8.0
116.99511	2.4
123.11740	2.7
133.10162	1.3
137.13214	1.1
151.14774	1.1
154.54417	0.9
155.01054	100.0
239.23701	9.3
253.51353	1.0
266.11279	0.9
312.56879	0.9
313.27377	64.8
314.27676	2.6
317.06284	7.3
383.28000	2.4
393.24060	5.1
401.29004	5.2
436.83102	1.1
470.46140	0.9
528.93256	1.1
537.28156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.3
57.03425	1.7
57.06825	1.0
57.07080	14.0
58.06594	2.0
64.08462	0.6
67.05226	0.7
67.05515	8.0
68.05013	0.7
69.07071	6.9
70.06599	14.0
71.04987	0.6
71.08641	7.2
71.15598	1.5
72.08151	1.5
73.02922	2.1
79.05484	2.3
81.07065	9.1
83.08623	6.6
84.08144	0.9
85.10183	4.0
86.09707	1.8
88.07638	7.5
89.05541	0.8
89.06037	5.5
91.05489	1.6
93.07050	4.1
95.08611	7.8
97.06516	1.6
97.10161	2.9
102.09201	4.7
105.07040	1.6
107.08597	2.8
109.10158	3.7
111.08097	0.9
113.08922	0.6
119.08567	0.8
121.10164	1.8
123.11723	2.0
125.09655	0.7
132.10219	6.2
133.08620	2.2
135.11690	0.7
146.11755	7.3
149.13268	2.9
161.13281	1.1
163.14798	0.7
167.14311	1.5
177.11255	1.1
212.23746	1.2
228.23326	1.1
241.18080	1.3
245.22630	1.4
256.26358	11.3
259.19064	13.0
259.21783	0.7
263.23770	1.3
272.25885	1.8
283.26324	42.1
300.28973	23.6
300.32495	0.8
311.29413	3.3
318.30054	0.8
337.27390	6.9
371.22867	1.7
521.42029	6.6
556.53027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05307	1.7
55.05513	17.4
57.03438	10.3
57.07072	3.5
65.03927	1.7
67.05511	59.8
69.07069	24.1
70.87003	3.4
71.04980	5.6
71.08587	1.8
74.33231	1.5
79.05143	1.4
79.05509	15.9
80.65788	1.6
81.07064	84.8
82.07364	1.5
83.08633	11.0
84.53762	1.5
85.06548	13.2
91.05488	9.3
93.07048	13.1
95.04948	1.9
95.08616	74.8
97.06522	3.0
97.10170	6.5
99.08031	1.6
105.07054	8.2
105.93391	1.5
107.08601	4.0
109.10152	5.6
110.83980	1.4
111.08083	2.1
119.08582	7.8
121.10194	7.5
123.11703	7.4
133.10124	3.1
135.11713	3.2
136.16121	1.4
137.13226	4.1
147.11703	13.0
149.13208	1.7
163.14742	1.6
165.12782	7.3
183.13777	5.7
201.14862	4.0
257.17502	100.0
263.23740	4.4
314.59036	1.8
333.51514	1.5
337.27386	75.9
346.81143	1.8
364.18344	1.8
479.04108	1.7
519.40497	51.7
519.48279	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	555.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.4
56.01200	5.4
57.03438	15.7
57.07082	35.8
57.82665	5.6
59.68695	7.3
67.05498	8.5
69.07067	9.5
70.30098	6.7
71.08610	23.9
71.55932	10.4
81.07054	20.3
83.08624	9.0
85.10162	14.1
95.08614	21.7
97.10155	6.2
98.98477	94.6
109.02879	6.7
109.10201	6.1
113.04222	8.4
126.21962	6.8
139.39381	6.2
155.01047	100.0
218.06674	6.8
239.23686	11.5
313.27322	74.4
393.23996	8.7
555.29279	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11197	1.2
51.39328	1.1
55.01870	11.6
56.05034	2.4
57.03433	3.6
58.06602	1.7
67.05519	1.2
68.05006	1.6
69.03435	32.5
69.07102	1.4
70.03108	1.2
70.06603	1.4
70.84637	2.3
70.84974	1.6
74.00275	2.4
74.00670	33.1
76.02221	2.2
76.04001	4.0
79.05505	4.3
83.07352	2.2
84.04510	45.0
84.08141	2.1
85.02910	40.9
85.04026	3.5
90.96759	4.4
92.01691	2.3
95.01337	72.9
95.04971	5.8
97.06539	8.8
98.10478	1.5
99.04440	1.8
103.03940	3.5
104.96288	1.3
104.98288	1.5
107.04963	2.2
107.99411	76.7
109.07700	1.1
110.06059	5.1
112.03957	10.7
113.02396	2.2
113.06007	4.9
116.07090	1.5
123.04449	2.8
125.06004	55.2
126.06365	1.6
127.03922	4.8
130.05017	100.0
131.04514	2.8
135.98894	1.7
141.05511	2.3
142.04999	1.6
143.07030	6.3
147.07664	2.3
148.02496	2.8
151.03986	1.6
153.05475	44.6
155.08141	1.7
156.06557	5.9
160.00729	1.9
174.00447	16.8
177.03308	16.3
181.06078	2.0
187.06084	1.6
193.99434	3.5
199.07030	1.3
201.99902	11.2
211.02080	88.5
214.07120	4.6
215.05496	24.4
219.02711	1.4
232.08215	1.6
237.62373	1.2
240.08780	1.6
248.00330	1.9
251.05269	6.9
258.09747	5.1
260.00256	2.1
265.00281	1.9
265.03104	27.9
277.03162	4.5
296.00195	1.3
304.02957	8.5
322.04114	33.7
323.03748	2.1
326.08722	1.4
332.02597	17.2
340.06543	2.8
371.03726	1.5
378.67856	1.4
407.05820	18.4
425.06848	92.7
461.06857	3.6
479.01627	2.0
479.07993	29.8
495.07465	1.3
537.08118	2.9
537.48840	1.4
554.11377	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	554.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.2
56.05040	2.1
57.03440	5.2
58.06601	1.7
67.01878	2.1
68.05032	1.2
69.03436	46.6
69.07063	1.5
69.81253	4.8
70.06597	3.1
72.12720	1.2
74.00674	31.2
74.01083	2.1
76.04005	4.0
79.05499	4.7
83.04952	1.3
83.06128	1.4
83.07381	1.9
84.04516	48.2
84.08160	2.5
84.14781	1.1
85.02913	44.6
85.04037	5.5
87.04468	2.0
90.96755	3.9
92.01740	1.9
95.01343	85.6
95.04986	6.0
97.02892	3.5
97.06567	6.6
98.21474	1.4
103.03927	1.4
105.50320	1.1
107.04971	2.4
107.99413	54.4
110.06055	7.1
111.04453	2.8
112.03971	7.6
112.07593	1.2
113.02375	3.0
113.06047	3.6
115.03943	1.3
116.07097	3.5
122.02414	1.5
123.04426	3.3
125.06007	67.8
127.03944	2.6
129.06583	1.7
130.05019	80.1
131.04523	3.0
135.98839	1.8
141.05461	4.9
142.05037	3.6
143.07103	1.8
151.03932	3.5
152.07108	2.1
153.05487	58.7
156.06598	4.9
160.00664	2.6
162.05630	1.4
167.05829	1.3
168.06577	3.0
169.05080	2.2
174.00444	14.5
177.03296	12.1
181.06171	2.7
187.06073	1.5
193.99458	3.8
197.04427	1.9
201.99954	11.6
211.02097	51.9
212.09299	1.5
214.07065	3.5
215.05522	30.6
216.08649	2.5
225.38179	1.4
229.99393	3.5
240.08792	2.0
247.02132	1.4
248.00487	3.1
251.05290	8.6
258.09735	2.1
260.00543	3.0
265.03107	17.7
268.01071	2.4
277.03226	2.3
286.02182	3.9
296.00479	1.8
304.03098	4.4
305.02637	2.0
314.01563	6.7
322.04160	46.5
322.07993	2.6
332.02560	26.2
340.06317	3.5
350.03619	1.9
353.02542	3.0
371.03665	5.7
389.04776	2.4
407.05768	10.9
425.06888	100.0
426.06940	2.2
461.06921	5.1
479.07907	27.4
536.09723	2.4
537.08319	2.1
554.11377	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	553.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86394	7.3
74.31260	1.3
75.69006	1.7
76.55535	1.4
77.35629	1.6
78.12482	1.3
80.36146	1.3
112.89589	1.9
124.62430	1.4
168.92085	6.2
176.10155	1.4
186.93158	5.4
191.87527	1.3
210.94090	100.0
210.99814	4.0
215.22868	1.4
222.98573	1.6
223.75285	1.3
228.94223	14.8
228.99571	2.1
246.95190	6.8
252.99547	1.9
270.95328	14.1
271.00568	20.7
271.98508	1.7
283.00644	5.9
288.96280	1.4
300.96432	3.3
301.01672	1.6
330.97339	4.5
331.02628	1.6
372.98514	2.1
381.07962	10.6
403.04910	2.0
438.42715	1.5
440.25815	1.5
473.52490	1.4
553.04633	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68914	1.2
53.03949	1.3
54.08381	1.3
55.01873	10.9
56.05036	1.6
57.03440	6.1
58.06613	1.3
67.05502	2.4
68.05026	2.3
69.03086	2.4
69.03437	40.7
69.07034	1.4
69.99612	4.3
70.06600	2.1
74.00283	2.4
74.00673	34.2
76.02180	1.1
76.04007	2.8
79.05496	4.3
81.03394	1.3
83.01339	1.4
83.06111	1.2
84.04511	44.0
84.08127	2.0
85.02910	44.7
85.04024	4.2
86.00658	1.4
87.04469	1.8
90.96754	3.7
95.01337	71.8
95.04993	6.9
95.15186	1.2
97.02885	1.5
97.06539	9.0
99.04443	1.8
102.05559	2.3
103.03935	4.1
107.04964	2.3
107.99410	75.2
110.06046	6.0
110.07188	2.2
111.04446	1.8
112.03984	10.5
113.02386	2.7
113.06013	4.5
115.03886	1.6
123.04465	1.8
125.06001	67.4
127.03917	4.8
130.05013	100.0
131.04492	2.4
135.98914	1.9
136.07545	2.1
141.05450	3.3
142.04973	1.7
143.07019	5.1
147.07649	1.8
148.02536	1.4
151.03897	1.8
153.05476	50.8
153.06711	2.6
155.08112	2.1
156.06577	3.5
160.00676	2.0
168.06584	2.0
170.08028	1.8
171.98940	1.7
174.00447	14.7
177.03305	14.9
181.06081	1.7
187.05978	2.3
193.99387	8.3
201.99980	11.1
211.02069	77.1
214.07094	3.2
215.05540	28.7
216.08653	2.1
229.99397	1.5
231.04402	1.5
247.02040	2.4
248.00404	3.2
251.05197	4.4
258.09747	3.8
260.00558	3.2
265.03146	21.7
286.02148	1.3
304.03067	6.4
314.01483	1.6
322.04169	38.4
327.15964	1.4
332.02606	19.0
340.06335	6.0
371.03656	2.1
407.05890	14.4
412.21399	1.2
425.06860	98.3
426.07095	1.9
461.06726	3.7
479.01483	2.1
479.07895	21.8
554.10815	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	551.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25864	2.7
55.05521	3.6
61.73417	2.9
67.05510	6.1
69.03435	6.3
69.07088	3.6
70.06588	11.4
71.84220	2.7
72.08157	7.9
79.05492	4.8
81.07053	9.0
83.04989	6.0
83.08664	3.4
84.04501	6.0
84.08132	9.6
85.02930	13.4
85.06561	5.1
86.09165	2.8
86.09705	7.6
91.05501	5.1
93.07045	12.7
95.08618	13.7
97.02898	3.9
99.08106	12.3
105.07076	6.8
107.04999	3.0
107.08606	21.7
109.06499	6.3
109.10163	8.8
119.08580	3.1
121.06505	7.8
121.10167	20.9
123.08097	11.7
125.09629	14.6
129.10229	7.6
131.08615	6.9
133.10150	12.8
135.08080	4.9
135.11662	4.5
136.07610	3.7
137.09586	4.4
145.10164	2.8
147.11710	5.3
149.09627	57.0
149.13298	9.3
151.11237	12.4
151.43622	2.8
153.09116	5.6
163.14888	14.3
173.13313	12.2
191.14310	42.0
209.15385	100.0
227.16527	4.7
230.06192	4.4
319.13031	2.8
324.77322	2.9
329.00711	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	552.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.9
56.05028	0.3
57.07057	0.6
60.04519	0.3
64.90414	0.3
65.03959	0.3
67.05516	1.1
69.03417	0.6
69.06728	0.4
69.07077	5.9
70.06599	1.5
71.54781	0.4
72.08159	2.3
74.06082	0.5
79.05500	0.7
81.03407	0.4
81.07063	1.3
83.08629	1.5
84.04494	0.7
84.08145	1.3
85.02915	2.0
86.09715	1.9
91.05482	2.6
93.07061	1.2
95.08051	0.3
95.08613	3.7
97.02909	0.3
102.05530	0.3
103.05524	0.3
105.07043	6.5
107.08601	2.1
109.10165	4.1
110.07194	0.5
117.07029	0.5
119.08592	27.7
120.08115	2.4
121.10192	1.2
127.03959	0.3
127.23294	0.2
129.10249	0.9
130.06522	0.2
131.08522	0.7
132.10211	0.4
133.10143	23.9
135.11716	1.3
136.07585	2.1
137.05971	0.3
137.09628	1.6
145.05023	0.4
145.10150	1.5
146.10931	0.3
147.11693	4.2
149.13251	0.3
151.14813	0.5
155.91154	0.2
159.07585	0.3
159.11574	0.4
160.12531	0.9
168.46275	0.2
173.13310	1.3
175.14838	100.0
176.15173	0.9
177.16432	0.5
179.06992	0.2
186.09204	0.4
187.10741	0.3
193.15901	11.6
201.12393	0.2
221.09334	0.3
249.12262	0.2
263.13843	0.3
277.17920	0.3
346.13980	0.3
488.85559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70434	2.2
55.05516	14.9
57.03436	9.1
57.07074	4.6
59.90635	1.9
65.03947	2.4
67.05511	64.4
69.07075	23.6
69.24310	24.2
71.04990	9.7
73.16402	2.1
73.41878	2.2
73.78215	2.1
79.05496	28.3
81.06579	5.1
81.07062	100.0
83.08618	4.6
85.06559	15.1
91.05475	14.5
93.07052	24.6
95.04958	2.1
95.08612	84.5
96.49702	2.2
97.06519	3.3
98.20707	5.2
99.08085	4.3
99.71444	2.2
105.07043	12.6
107.08585	16.0
109.10166	11.3
119.08595	10.3
121.10164	13.2
123.11706	7.2
131.08591	6.3
132.02565	2.1
133.10135	7.2
135.11705	8.0
137.13280	4.6
143.32970	2.0
145.10187	2.5
147.11714	18.4
149.13295	6.0
159.11711	3.6
163.14825	2.7
165.12787	9.1
183.13896	4.8
187.14806	2.3
257.17487	81.6
261.22144	9.8
288.18735	2.6
335.25818	73.4
368.08649	2.3
517.38916	44.9
542.53558	2.4
552.40039	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01858	1.6
55.05514	6.2
56.05030	1.1
57.03460	2.0
57.07081	1.6
58.69601	0.9
59.05009	1.5
61.02940	1.0
67.05507	7.3
69.03429	10.3
69.07071	8.6
69.96684	3.9
70.06596	6.4
71.04991	10.6
72.08160	2.6
79.05492	10.0
81.03423	4.2
81.07064	14.3
81.07534	1.5
83.04987	6.0
83.08607	4.6
84.04502	3.1
84.08154	8.7
85.02914	9.2
85.06554	2.2
86.09719	5.4
91.05487	5.4
93.07057	12.3
95.04977	2.9
95.08607	14.7
97.02895	3.8
97.06549	3.4
97.10176	6.8
99.04453	5.4
99.08082	1.3
105.07041	7.4
107.04956	2.1
107.08602	29.1
109.02891	1.4
109.06522	3.7
109.10167	11.1
110.07190	1.7
111.08075	5.7
115.07574	3.0
117.07065	0.9
119.08574	3.9
120.08104	4.8
121.06501	5.3
121.10144	10.1
123.08060	3.9
123.11719	3.7
125.09633	11.9
127.03939	2.8
129.09180	2.0
129.10278	2.5
130.05026	1.4
131.08565	5.2
133.10139	8.1
135.08041	8.4
135.11682	3.7
135.78488	0.8
136.07565	1.6
137.05981	1.2
137.09607	2.2
139.11195	1.1
143.10678	1.4
145.03203	1.8
145.04956	2.4
145.10191	1.2
147.11676	6.3
149.09686	4.9
149.13292	4.7
151.11194	6.8
153.09119	4.0
156.31668	0.8
157.19753	0.8
161.13274	0.9
163.14841	8.9
165.12755	2.3
170.08244	1.2
173.13252	11.5
175.14807	1.9
176.15170	0.9
183.13860	1.1
184.95760	0.8
191.14320	24.0
192.14752	0.8
199.08739	1.4
201.12411	1.0
209.15385	25.2
227.08195	2.1
227.16423	100.0
228.16765	1.6
255.11325	1.1
283.10696	1.7
291.10175	1.1
298.67468	0.9
303.05093	2.6
311.10394	1.8
339.09506	1.4
348.75336	1.0
357.10510	1.2
371.12280	0.8
389.13348	2.1
445.83640	0.9
532.05878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.0
58.63261	1.9
67.05492	4.0
69.03426	4.9
69.07071	4.5
70.06585	7.5
71.31591	5.3
72.08147	3.5
79.05483	4.8
81.03420	2.4
81.07056	9.9
83.04961	2.8
84.08131	2.7
85.02890	9.2
85.06554	4.1
86.09718	7.8
91.05503	3.9
93.07046	8.9
95.04969	3.9
95.08615	17.6
97.02920	2.7
99.08110	11.0
105.07001	3.9
107.04995	4.6
107.08609	23.3
109.06522	7.1
109.10196	9.9
110.07133	2.1
111.08109	2.5
119.08609	3.7
119.09523	2.1
121.06505	11.0
121.10160	18.2
123.08051	11.9
123.11720	3.1
125.05980	2.1
125.09649	9.4
129.10269	3.4
131.08542	6.3
133.10167	13.1
135.08087	11.3
135.11642	4.2
137.09630	2.5
145.10165	2.3
147.11705	4.2
149.09627	41.8
149.13260	9.9
151.11221	11.3
153.09109	4.6
163.14850	12.9
173.13263	12.0
191.14323	43.4
203.98058	2.2
209.15375	100.0
227.16420	6.4
258.84882	1.9
394.20074	2.2
431.47769	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	551.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01870	1.4
55.05509	3.8
57.03434	1.8
57.07072	3.1
58.54388	1.0
59.05000	1.6
61.02958	1.3
61.21112	1.0
62.68592	1.0
67.05512	6.6
69.03434	4.6
69.07059	3.5
70.06586	2.6
70.72746	1.4
70.73080	1.9
71.04982	2.4
79.05496	7.0
81.03434	1.6
81.07069	12.2
83.05000	5.5
83.08624	2.8
84.08147	2.0
85.02914	10.5
85.06557	4.8
86.09701	2.8
91.05481	5.4
93.07049	13.7
95.04971	4.0
95.08620	15.6
97.02911	2.4
97.06557	3.3
99.04487	1.6
99.08099	13.1
103.05485	1.1
105.07041	9.8
107.04969	5.6
107.08606	35.0
109.06516	7.4
109.10162	9.2
111.08098	4.7
117.07048	1.2
119.08571	3.7
120.08051	1.3
121.06517	12.9
121.10153	24.6
123.08077	11.2
123.11714	2.8
125.05950	1.9
125.09634	4.4
127.03921	2.4
131.08560	9.5
133.06429	1.4
133.10133	15.0
135.08087	10.3
135.11702	3.5
137.09608	6.1
139.07527	1.8
139.11220	1.4
141.49519	1.0
145.04987	3.5
145.10118	2.4
147.11716	5.9
149.09634	47.0
149.13268	16.5
150.38644	0.9
151.11194	15.4
153.09128	3.7
161.05978	2.6
163.05977	1.1
163.11118	1.3
163.14827	21.0
163.16109	1.9
173.13277	15.3
178.42136	1.0
191.14319	58.0
192.14682	1.1
209.15382	100.0
213.20129	1.0
227.16475	4.0
468.22351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
57.45688	0.2
60.08129	0.2
61.01141	0.3
69.03432	0.3
69.07043	0.6
69.28198	1.2
69.28619	1.3
70.06602	2.0
70.22802	0.3
70.43472	0.2
71.04118	0.2
72.08154	0.3
79.05492	1.2
81.03423	0.4
81.07082	0.4
82.88860	0.2
84.04498	0.3
84.08149	0.6
85.02924	0.4
85.93209	0.3
85.95232	0.3
86.09703	1.4
91.05486	2.1
93.07057	2.7
95.04963	1.2
97.02867	0.3
103.05493	1.8
104.98305	0.3
105.07076	0.3
107.01319	2.6
107.04955	0.9
109.06499	0.7
111.02686	0.4
112.03452	0.5
113.04234	3.6
120.08083	0.3
121.06515	25.8
122.03658	4.2
123.04440	0.3
129.10210	0.4
135.04420	0.9
137.06000	0.5
142.99902	0.7
145.01402	0.7
150.03130	5.7
163.02541	0.5
165.05486	100.0
166.05803	0.7
168.04190	5.5
184.07349	0.3
236.30843	0.3
261.60257	0.3
283.10959	0.3
456.19003	0.3
568.64465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1038
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
50.47997	0.3
52.10943	0.3
53.03940	1.8
53.61496	0.3
55.01888	0.5
55.36188	0.3
57.03428	0.9
59.04988	0.3
61.02936	1.6
65.03960	0.3
68.99783	1.0
69.03078	0.4
69.03436	6.6
70.06590	1.6
71.04988	1.5
72.08154	1.2
73.02908	0.4
74.35413	0.3
81.03423	4.2
83.01350	0.7
83.82761	0.3
84.04488	0.4
84.08141	0.6
85.02425	0.5
85.02913	6.4
86.09702	1.2
87.00838	2.4
87.04480	0.6
95.04975	0.3
97.02902	15.3
99.04462	2.4
105.01865	1.9
109.02893	3.2
111.00811	1.1
115.03925	0.4
120.08108	0.6
121.02884	0.9
123.04449	0.4
127.03933	4.6
136.07568	1.0
137.02365	3.5
137.03410	0.4
145.04973	6.0
145.06239	0.4
145.06516	0.3
149.02374	0.6
153.01846	3.7
159.02942	0.5
163.03900	0.7
165.01848	2.1
166.02693	0.3
173.06001	0.6
177.64018	0.3
183.02937	0.8
183.04422	0.3
187.07536	0.3
195.02991	0.4
201.05479	2.6
219.06512	0.5
229.04990	4.6
231.04984	0.6
246.05101	0.3
247.05980	0.8
257.04495	2.7
274.04739	0.8
285.03961	1.5
303.05017	100.0
304.05374	1.3
373.95245	0.3
411.06915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01868	2.2
55.05513	0.6
56.05037	0.6
57.03436	1.3
58.06601	0.4
60.04512	0.5
61.02927	1.0
65.03941	0.2
68.99798	1.8
69.03081	0.5
69.03436	7.2
69.07068	0.4
69.96999	1.2
70.06249	0.5
70.06598	6.1
71.04985	0.9
72.08163	2.5
73.01144	0.8
73.02922	1.4
74.06075	0.4
76.02212	0.3
81.03424	9.1
82.06568	0.3
83.01331	0.4
84.04505	3.8
84.08150	3.7
85.02912	11.3
85.08466	0.4
85.55789	0.3
86.09712	3.8
87.00833	5.3
87.04483	0.5
88.03992	0.5
91.03971	0.7
93.03380	0.3
95.04975	0.3
96.08138	0.8
97.02903	4.9
98.21497	0.4
99.02681	0.7
99.04457	2.7
102.05557	0.6
104.98331	0.3
105.01875	3.1
105.07053	0.4
109.02888	7.2
110.07151	0.6
111.00831	1.4
112.08706	0.3
117.01839	1.1
119.04934	0.4
120.08128	2.1
121.02860	1.1
122.06055	0.4
127.03929	9.6
129.01839	0.5
129.10248	1.8
130.05000	0.5
133.10115	0.3
136.07608	0.8
137.02348	3.8
137.05948	1.3
145.03227	3.5
145.04973	3.2
147.02919	0.6
149.02390	0.5
153.01830	4.0
159.02908	4.8
161.06038	0.6
162.05861	2.2
163.03937	0.6
165.01852	1.8
167.07124	0.5
170.08139	1.1
173.05975	0.7
177.04039	0.3
177.05592	0.5
183.02911	1.1
183.04387	0.5
187.10799	1.3
201.05505	3.4
205.04970	0.4
215.13931	0.6
227.08237	0.3
228.04271	0.4
229.05006	4.8
231.04959	1.6
247.06136	0.8
257.02637	0.3
257.04517	2.8
274.04654	0.7
285.04062	1.5
291.10098	4.0
302.04251	0.3
303.05008	100.0
304.05338	1.4
324.23273	0.4
345.05826	0.4
357.10385	0.3
371.14993	0.5
375.99481	0.3
389.13348	0.5
497.89877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03703	4.6
53.03940	5.9
55.05508	13.0
56.08121	4.1
57.07072	10.1
62.82794	4.0
65.03950	9.2
67.05524	29.4
69.03428	9.3
69.07077	21.5
70.06590	5.7
71.55051	7.3
73.06561	7.0
79.05490	32.7
81.07091	33.5
83.08623	10.4
84.04510	5.7
85.02896	8.9
85.06564	4.9
86.09731	5.1
91.05487	50.3
93.07052	52.7
94.02937	18.6
94.06548	5.7
95.01316	10.3
95.04965	11.0
95.08607	26.7
96.04477	8.7
97.06551	6.3
101.04230	5.9
103.05497	10.3
105.07038	93.5
106.06536	5.0
107.08601	43.4
107.13544	4.2
108.08138	4.5
109.10163	21.5
111.35387	4.6
113.04235	62.3
114.01880	13.5
115.03820	6.0
115.05447	9.1
116.04095	4.7
117.07012	23.1
118.06561	8.4
119.08597	100.0
120.08105	6.9
121.10163	44.9
123.11719	12.0
124.03951	6.0
125.06061	4.9
128.03423	8.5
128.06223	18.6
129.07002	20.7
130.06578	5.9
130.07797	15.5
131.07640	5.9
131.08578	40.2
132.08090	24.7
133.10143	49.7
134.06046	6.7
135.11682	19.2
138.01860	13.4
140.03430	18.5
141.06985	9.3
142.07851	24.3
143.08571	60.2
144.08093	6.5
144.09297	7.8
145.01447	8.3
145.10146	86.3
147.11723	17.9
152.03407	12.2
153.07051	9.9
154.07744	15.3
155.08591	27.7
156.09357	12.7
157.10138	55.2
158.04460	7.5
158.09610	10.1
159.11708	30.0
160.07608	6.4
161.13264	5.1
162.05569	10.2
165.07056	8.1
167.08624	13.9
168.09383	10.1
169.10139	59.2
170.11024	5.5
171.11719	29.4
173.13309	31.0
175.14880	17.7
176.07100	17.3
178.05019	33.3
179.08583	14.9
180.09344	8.6
181.10117	18.7
182.10901	6.6
183.11662	30.6
185.13277	12.2
187.14893	11.4
188.05563	28.5
188.07042	7.2
193.10159	15.7
194.10954	7.9
195.11729	18.0
197.13292	14.6
199.14853	8.1
204.06551	22.6
207.11737	16.4
209.13318	36.2
211.14836	9.4
215.05473	9.2
217.07036	5.3
221.13208	9.6
223.14801	17.1
224.10858	5.5
225.16385	4.8
230.08139	7.0
233.13150	6.0
235.14857	21.7
237.16380	12.6
242.08174	7.3
244.09789	7.1
247.14789	7.4
252.08707	18.3
254.10211	7.9
261.16364	5.6
265.19501	10.6
266.10184	5.7
278.10297	17.1
282.11270	5.1
283.20200	6.1
318.13382	9.1
332.15079	5.8
344.14911	13.2
357.25641	10.0
363.09409	5.9
366.19052	9.4
375.26834	21.5
376.28821	4.3
440.24261	6.6
458.25162	6.8
517.95349	5.2
532.30426	16.8
550.31390	43.6
550.92206	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	550.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	10.1
55.05502	4.2
56.05034	5.8
57.03468	1.7
58.06613	13.1
58.99586	9.4
61.01165	2.8
63.27886	2.2
65.03947	2.2
66.18392	1.9
67.05505	4.6
68.05016	2.8
69.03415	4.2
69.07050	3.6
69.66686	13.8
70.06606	26.0
72.08183	9.4
73.01151	15.1
73.74372	1.7
74.00665	4.5
74.02433	5.3
76.02230	17.1
76.04003	2.7
81.07047	4.2
82.06587	4.4
84.04510	100.0
84.08143	14.3
85.02894	5.9
86.09719	29.9
86.99015	2.3
87.10030	2.4
88.02140	1.9
89.04251	2.0
91.05495	4.3
93.07032	2.8
96.08134	18.7
97.02892	1.8
97.06527	2.8
99.02687	47.9
101.04237	5.0
101.06220	1.7
104.98315	4.9
105.07048	3.0
107.99392	2.0
109.06465	2.4
110.07195	2.9
112.03981	21.6
113.04228	4.5
116.01698	12.4
116.05321	53.9
116.07059	11.2
119.08623	2.1
120.08093	8.7
121.10194	2.8
124.07603	16.7
126.09113	2.5
127.03901	4.0
129.06613	2.4
129.10225	4.9
130.05014	17.5
131.04538	2.7
133.10141	2.4
142.03189	9.0
142.08638	14.5
142.09584	2.0
143.11815	3.3
144.01132	4.9
144.04803	4.1
145.10016	1.9
151.07581	2.1
160.00668	3.3
161.13324	2.8
162.02209	11.5
166.03262	2.0
170.08139	89.9
171.11317	2.0
173.09363	2.0
177.03310	6.7
177.05463	2.5
178.73276	2.1
179.04872	25.3
180.10193	6.2
181.10498	2.6
182.06442	3.3
183.05803	2.7
191.14346	2.7
193.04695	2.4
196.04237	1.8
199.17964	3.8
202.05367	51.0
219.07994	73.1
229.06471	3.8
233.08018	2.3
245.05910	5.8
245.09590	4.8
251.05220	5.0
273.09052	10.4
291.06396	3.7
326.03641	2.3
330.11157	4.0
348.12283	52.0
380.09085	4.2
382.09708	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	550.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72179	1.4
55.01872	7.2
55.05511	13.7
56.05035	5.1
58.06611	9.5
58.99589	13.2
61.01156	14.0
68.05042	2.4
69.03403	1.6
70.06600	15.3
70.99581	3.2
72.08141	4.7
73.01146	18.1
74.00660	10.0
74.02460	2.2
76.02234	27.2
76.03989	4.2
79.05496	3.0
81.07059	4.5
82.06570	1.8
83.06104	2.4
83.08616	12.2
84.04507	94.8
84.08133	8.6
85.01132	4.6
85.04030	7.0
85.04865	1.7
86.09724	6.0
86.99076	1.9
87.02701	1.7
91.68337	1.8
92.01730	2.2
96.08138	19.6
96.92387	7.2
98.06107	1.7
98.21617	2.5
99.02682	24.4
101.04237	3.5
103.24458	2.1
104.98325	53.3
105.97837	6.1
107.99406	1.9
110.93969	2.9
111.02648	2.0
112.04008	14.6
113.03503	2.9
113.04215	22.8
114.04993	2.5
115.05791	11.5
116.01667	10.1
116.05323	44.5
116.07070	10.9
116.98309	8.1
118.99871	28.6
120.08125	3.7
123.91632	1.5
124.07607	18.5
124.41192	1.7
126.05549	4.3
126.09145	3.9
129.06569	2.5
130.05002	25.1
131.04543	12.6
136.95474	3.2
138.97031	1.8
139.03351	1.7
142.03226	4.8
142.08649	13.5
144.01126	8.2
144.04832	2.2
145.01407	7.6
146.02197	4.8
147.02937	2.2
148.02496	2.9
156.06580	1.9
160.00580	4.7
162.02213	22.3
164.98561	1.9
170.02734	2.9
170.08134	85.3
173.09265	2.4
177.03311	28.0
179.00166	8.5
179.04860	34.0
185.03934	1.9
187.10867	2.1
202.05328	27.9
207.06659	1.9
211.02107	3.0
213.12389	2.1
219.08005	100.0
224.46594	1.5
233.05910	3.1
242.99295	1.7
245.05835	2.1
245.09628	2.6
251.05202	6.0
260.07275	1.6
273.08990	11.3
283.02481	11.1
288.06375	1.9
308.09067	7.1
317.01273	11.5
319.11606	3.6
348.12210	30.8
348.16354	2.1
357.04330	20.6
380.09354	6.7
411.05286	10.7
412.06696	4.4
413.07407	8.2
486.02023	2.8
486.08640	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	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06789	5.6
55.01863	7.2
55.05504	8.6
56.90134	4.8
57.03428	7.4
57.79782	5.1
58.92068	4.6
59.04981	5.4
67.05500	12.3
69.03441	25.3
69.07059	9.9
70.06600	60.0
71.11295	4.7
71.54721	7.1
72.08159	34.1
74.06074	8.2
74.83469	5.2
79.05492	9.8
81.03422	14.4
81.07072	10.2
82.06549	9.4
83.05000	13.2
84.04510	10.4
84.08157	36.9
85.02901	67.1
86.09695	28.7
91.05464	17.5
93.07044	19.8
95.04955	5.6
95.08583	34.1
97.02885	17.5
99.04471	10.9
105.07030	23.8
107.04990	7.1
107.08597	30.8
109.02905	14.1
109.06522	16.0
109.10148	14.6
110.07135	5.7
113.09594	6.0
117.06950	6.0
119.08565	33.9
120.08114	17.3
121.10125	18.3
123.08060	37.7
123.11740	9.2
127.03908	21.4
127.08684	22.2
129.10248	15.5
131.08575	7.8
133.10155	15.5
135.08067	12.0
135.11656	8.3
136.07535	13.1
137.09616	68.0
145.04974	12.9
145.10123	16.2
147.07993	12.9
147.11670	16.8
149.09616	31.8
151.07539	20.7
153.09164	5.2
161.13289	23.0
163.11182	100.0
165.09146	79.0
165.12779	8.8
167.10652	8.7
169.09775	6.0
175.09024	12.9
177.12787	13.1
189.12738	51.0
201.12300	5.8
203.08496	12.2
205.12219	6.4
207.13850	95.4
211.00490	5.0
225.14883	90.3
243.07880	6.8
281.09341	6.6
287.05438	20.1
327.09647	9.0
548.43066	5.6
549.18896	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	549.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15114	3.9
53.03955	4.2
55.05513	8.6
57.03447	4.2
63.17741	3.4
67.05489	10.6
69.03422	15.4
69.07073	6.7
69.68742	26.1
70.06593	40.1
72.08170	23.0
76.64762	3.9
79.05499	9.0
81.03406	13.7
81.07063	9.6
83.04999	10.2
84.04509	13.5
84.08129	15.5
85.02904	23.6
86.09715	21.7
91.05473	10.9
93.07037	15.9
95.04942	8.6
95.08606	27.5
97.02883	7.9
98.21381	7.4
99.08088	8.0
105.07018	17.8
107.04972	9.7
107.08605	22.9
109.02882	7.4
109.06518	16.3
109.10155	7.7
111.08007	3.6
113.09663	9.9
116.07074	5.8
118.52677	3.8
119.08591	27.7
120.08104	10.4
121.06536	8.6
121.10188	19.3
123.08063	14.6
127.03914	11.0
129.10190	7.9
131.08562	5.8
133.06505	5.7
133.10185	7.7
135.08035	10.7
135.11748	4.3
136.07556	11.8
137.05963	16.5
137.09628	35.3
145.10117	15.0
146.08650	4.2
147.08008	8.7
147.11630	12.3
149.09637	33.4
151.07547	7.3
159.11595	4.1
161.09566	5.6
161.13251	12.5
163.11198	56.5
165.09135	53.3
165.12752	8.9
167.10640	5.4
171.11713	8.3
177.12747	4.8
185.31798	4.7
189.12711	51.5
195.13765	6.7
207.13826	100.0
225.14833	42.9
267.07620	6.5
281.09161	8.0
309.08661	10.4
327.10013	9.6
337.08008	5.3
387.11728	6.1
415.49695	4.0
517.14569	7.8
549.18201	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	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57277	2.4
53.03937	3.8
55.05514	6.2
56.05025	3.1
57.07073	3.4
60.04531	4.6
61.02918	3.5
67.05505	11.9
69.03436	15.8
69.07066	7.2
69.63219	14.1
70.06603	20.7
71.04987	4.4
72.08149	11.0
74.06081	5.2
77.78045	2.4
79.05513	7.3
81.03425	13.2
81.07063	10.9
83.04991	7.7
84.04498	4.3
84.08141	17.8
85.02912	53.4
85.06551	4.1
86.09738	13.9
91.05484	7.9
93.07024	6.1
94.10272	2.6
95.04976	4.2
95.08043	3.9
95.08620	45.0
97.02922	13.3
98.20811	4.8
99.04453	7.5
99.08123	2.6
100.77952	2.7
105.07043	11.1
107.04961	6.0
107.08599	12.8
109.02889	8.7
109.06535	11.4
109.10181	10.0
110.07154	4.3
111.04462	5.7
119.08594	19.6
120.08111	6.9
121.10142	12.5
123.08100	21.0
123.11719	29.2
125.05975	9.6
127.03979	14.2
127.08609	2.9
129.10248	11.5
131.08559	4.2
133.06607	3.3
133.10104	3.9
135.11711	8.6
136.07610	3.2
137.05986	3.1
137.09662	12.3
145.04970	9.5
145.10098	5.3
147.08125	3.3
147.11678	13.4
149.09636	25.4
151.07600	5.0
155.03398	6.4
159.07845	2.8
161.13358	11.9
163.11188	15.5
165.09135	17.2
165.12773	4.5
167.10738	2.4
171.11720	3.2
189.12764	27.9
207.10542	4.1
207.13828	100.0
225.11172	3.1
225.14886	36.2
257.67947	2.9
327.09457	3.2
333.16962	11.6
351.18173	13.4
369.19012	5.6
387.11502	2.9
549.20856	8.7
549.26172	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	549.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15114	3.9
53.03955	4.2
55.05513	8.6
57.03447	4.2
63.17741	3.4
67.05489	10.6
69.03422	15.4
69.07073	6.7
69.68742	26.1
70.06593	40.1
72.08170	23.0
76.64762	3.9
79.05499	9.0
81.03406	13.7
81.07063	9.6
83.04999	10.2
84.04509	13.5
84.08129	15.5
85.02904	23.6
86.09715	21.7
91.05473	10.9
93.07037	15.9
95.04942	8.6
95.08606	27.5
97.02883	7.9
98.21381	7.4
99.08088	8.0
105.07018	17.8
107.04972	9.7
107.08605	22.9
109.02882	7.4
109.06518	16.3
109.10155	7.7
111.08007	3.6
113.09663	9.9
116.07074	5.8
118.52677	3.8
119.08591	27.7
120.08104	10.4
121.06536	8.6
121.10188	19.3
123.08063	14.6
127.03914	11.0
129.10190	7.9
131.08562	5.8
133.06505	5.7
133.10185	7.7
135.08035	10.7
135.11748	4.3
136.07556	11.8
137.05963	16.5
137.09628	35.3
145.10117	15.0
146.08650	4.2
147.08008	8.7
147.11630	12.3
149.09637	33.4
151.07547	7.3
159.11595	4.1
161.09566	5.6
161.13251	12.5
163.11198	56.5
165.09135	53.3
165.12752	8.9
167.10640	5.4
171.11713	8.3
177.12747	4.8
185.31798	4.7
189.12711	51.5
195.13765	6.7
207.13826	100.0
225.14833	42.9
267.07620	6.5
281.09161	8.0
309.08661	10.4
327.10013	9.6
337.08008	5.3
387.11728	6.1
415.49695	4.0
517.14569	7.8
549.18201	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	548.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29317	0.3
53.53147	0.3
55.05516	1.1
56.05042	1.5
57.03426	0.4
58.06582	1.6
59.07380	0.3
60.08168	18.6
67.05510	4.0
68.79997	0.3
69.07089	1.6
69.07410	0.3
69.37323	2.5
71.07378	7.8
71.08619	0.3
79.05482	1.5
81.07068	3.0
83.08620	0.9
86.09711	55.1
91.05490	0.5
93.07050	1.2
95.08604	1.9
97.06560	0.6
97.10198	0.4
98.20695	0.5
98.98481	4.8
104.10750	100.0
105.07055	0.4
107.05008	0.3
107.08613	0.9
109.10159	1.3
119.08563	0.6
121.10166	0.3
123.08021	0.4
123.11753	0.4
125.00011	30.4
135.11716	0.3
139.58357	0.3
144.85480	0.3
163.01590	0.5
179.14331	0.3
184.07352	93.9
185.07745	0.3
198.04785	0.4
221.27725	0.3
221.55220	0.3
258.11090	0.7
271.52023	0.3
333.27899	0.4
365.30707	0.7
407.31473	2.7
525.38519	0.3
530.36060	7.6
548.37195	27.0
549.38092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.05517	5.5
57.03444	3.9
57.07083	2.8
60.08179	0.5
62.06086	0.7
65.03934	0.4
67.05171	0.5
67.05508	7.1
69.06721	0.6
69.07072	7.6
69.73106	0.6
69.73504	1.4
71.05006	1.3
71.08639	2.4
79.05498	3.8
81.07063	10.1
83.05004	0.5
83.08627	4.5
85.06545	0.9
85.10188	0.4
86.09704	1.8
91.05475	2.4
93.07049	7.3
95.04976	1.1
95.08614	11.4
97.06552	2.0
97.10177	1.8
98.98473	3.6
99.08101	1.3
105.07019	2.7
107.08604	10.9
109.06535	5.6
109.10165	5.6
111.08105	2.0
119.08591	4.6
121.10154	7.2
123.08080	14.6
123.11723	1.6
124.01615	0.5
125.00015	0.9
125.09633	0.8
131.08582	1.1
133.10144	2.3
135.08069	0.6
135.11714	2.4
137.09642	1.5
137.13275	1.2
143.08624	0.3
145.10132	1.5
147.11685	1.6
149.09633	0.5
149.13261	2.5
151.11168	0.5
151.14833	0.8
159.11723	1.0
161.13300	1.2
163.11201	0.4
163.14861	1.5
165.12700	0.6
165.16341	0.3
167.14401	2.0
171.11694	0.3
173.02156	0.4
173.13219	0.4
175.11212	0.3
175.14807	0.9
177.16414	3.5
179.14322	18.9
181.15903	0.5
184.07358	5.4
187.14862	0.6
189.12717	0.3
191.17873	0.4
193.15895	1.2
198.05463	0.3
201.16426	0.3
205.15932	0.4
215.17921	0.3
216.06380	1.1
221.19125	0.4
231.15999	0.4
263.20068	1.0
277.21643	4.0
291.23157	1.3
293.21185	0.6
305.28406	0.6
315.23224	0.3
315.26886	0.5
319.22623	0.4
333.27899	16.8
349.27551	0.8
351.28964	7.3
371.29333	1.4
376.32285	1.8
389.30591	3.8
407.31583	100.0
408.31750	2.1
487.28134	0.9
505.29233	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	548.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.05520	1.8
55.12197	0.8
57.44543	0.9
58.06598	2.7
58.99589	4.7
59.15582	0.9
61.01159	11.0
64.30909	1.0
67.05506	1.5
68.05010	1.5
69.03436	1.4
69.07057	1.3
69.52681	0.9
70.06607	4.8
71.54981	0.8
72.08166	1.1
73.01147	61.3
74.02425	1.5
76.02241	8.2
78.96775	6.6
79.90720	0.9
81.07052	1.1
82.06580	0.9
84.04512	19.2
84.08150	2.3
85.02903	1.3
86.09721	1.2
87.02700	4.3
88.02233	2.4
89.04263	34.4
92.98333	25.5
96.08147	3.5
99.02678	11.8
101.04257	1.1
104.98328	1.2
112.03987	6.1
113.04242	4.0
115.05793	3.6
116.01678	2.9
116.05329	18.7
116.07073	4.9
118.99878	8.3
121.01437	64.3
124.07600	3.7
129.03700	1.0
130.05016	2.8
131.05267	1.5
142.03235	1.7
142.08699	1.9
144.01097	1.2
144.04747	1.4
160.00671	1.1
162.02232	4.2
167.00201	100.0
170.08133	17.7
177.03340	0.9
179.00098	1.5
179.04829	7.1
182.06363	1.1
191.04860	2.3
202.05341	12.7
202.21738	1.2
219.08002	21.5
232.87856	0.9
245.09610	1.3
273.09088	3.8
277.60660	1.2
308.09515	1.3
330.11142	1.5
348.12259	10.0
370.41089	0.9
381.71982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84688	0.5
53.89082	0.5
56.05035	6.7
58.06607	3.4
60.04522	2.0
69.03426	1.2
69.07070	10.4
70.02937	1.1
70.06590	3.6
71.04997	0.5
72.08155	4.2
73.04041	0.9
74.06083	15.7
75.25828	0.5
84.04507	5.0
84.08141	1.9
85.02909	1.6
86.06052	0.7
86.09710	100.0
87.05617	0.8
87.10028	0.9
88.03979	3.5
96.08172	0.6
97.02886	0.7
98.02410	0.6
98.09682	1.3
101.07148	17.1
102.05548	2.2
106.05038	3.9
110.07168	1.4
110.09711	0.7
116.03459	1.5
116.07066	0.5
117.43034	0.4
120.08122	0.5
120.98939	0.4
124.11242	1.9
126.09174	0.5
126.12808	1.5
127.03924	1.1
128.02049	0.5
129.10260	1.0
130.05006	0.8
136.07559	0.6
138.09186	0.9
140.03394	0.8
142.12286	8.5
143.11813	4.7
145.05003	0.7
155.11731	0.8
161.05550	0.6
169.13394	1.5
183.11288	3.2
186.03999	0.7
187.14427	71.2
199.18021	1.4
200.13922	0.9
201.12341	5.9
203.06665	4.7
215.13921	49.4
216.14163	0.6
221.07669	5.0
229.11847	22.3
283.20123	0.9
284.16028	0.6
316.14999	8.7
328.22321	7.7
334.16083	14.8
342.20169	0.6
430.97525	0.5
443.24899	3.7
530.28003	1.0
548.22668	0.7
548.29950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.9
57.07056	5.2
61.02916	9.9
62.32426	4.3
67.05215	5.6
67.05514	56.4
69.07075	17.5
69.28851	6.8
69.29255	36.1
71.04973	4.6
76.58056	4.5
77.13772	4.3
79.05494	22.5
81.07056	70.2
83.08644	5.1
85.02910	7.3
86.09705	5.2
91.03973	4.9
91.05472	20.4
93.07068	34.3
95.04971	7.6
95.08617	56.1
97.02875	7.0
97.10191	9.5
105.07027	20.5
107.08604	30.2
109.10162	33.0
114.88421	4.4
117.07008	9.9
119.08569	11.2
121.10133	33.4
123.11716	15.3
125.00018	7.3
131.08566	15.9
133.10085	11.0
135.11716	20.8
136.37645	4.6
137.13217	6.0
145.10178	10.9
147.11732	8.9
149.13277	18.4
151.30684	4.0
159.11690	14.9
161.13321	7.4
163.14853	13.1
173.13281	15.8
177.16374	5.7
184.07402	20.9
187.14847	9.2
229.81219	4.2
232.30605	4.6
243.21091	35.3
261.22147	100.0
262.22278	5.2
279.23297	6.5
333.15262	5.5
335.25897	31.8
353.26819	30.0
370.19086	5.0
528.37524	8.8
546.38422	12.6
549.28571	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56822	5.1
55.05508	8.3
58.06578	6.2
62.00019	5.2
64.34380	4.9
67.05495	6.6
69.03419	17.5
69.07086	12.5
69.48392	32.6
69.48816	10.3
70.06605	26.2
72.08148	11.6
73.01147	28.5
79.05478	12.3
84.04502	14.2
84.08131	14.6
85.02895	22.8
86.09702	18.9
93.06995	5.3
95.01326	22.6
95.04981	9.1
97.06540	15.8
99.02662	7.7
101.04241	11.4
104.98325	13.0
112.03434	11.7
113.04230	100.0
114.03744	5.9
114.64030	5.2
116.05294	7.3
119.04973	8.9
120.08106	6.4
125.05981	21.8
129.03714	7.2
130.15939	6.4
131.05251	18.1
142.99852	6.2
146.71619	5.2
147.04398	6.4
153.05487	18.9
157.91580	4.9
162.05878	12.1
163.02469	9.7
171.24461	5.2
214.50023	5.5
215.05562	29.5
226.96869	21.3
229.81190	6.1
308.62387	5.5
316.98193	16.5
358.59534	6.2
413.03940	18.9
479.43347	5.5
481.18683	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	546.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.3
57.15688	3.1
61.02926	7.8
67.05178	3.8
67.05506	44.9
69.07072	12.0
70.43073	3.4
70.62095	8.9
70.62449	3.5
79.05497	32.0
81.03410	9.0
81.07061	51.6
83.08601	5.1
85.02913	9.7
91.03942	9.2
91.05473	20.7
93.07057	35.8
95.03728	3.1
95.04942	4.1
95.08610	36.0
97.02896	7.2
97.10205	5.3
99.08089	4.4
104.10757	6.4
105.07037	17.3
107.08593	26.4
109.10160	21.8
117.06998	7.1
119.08576	9.1
121.10148	28.2
122.47053	3.1
123.11701	11.5
127.03945	3.9
129.20462	3.1
131.08574	15.1
133.10135	15.5
135.11693	17.6
137.13255	8.6
145.10115	12.5
147.11771	7.4
149.13263	17.4
151.14851	3.7
159.11726	11.9
161.13277	13.6
163.14841	15.1
165.12836	5.4
173.13258	13.6
175.14810	4.5
177.16446	4.0
179.14238	5.9
184.07326	8.5
187.14827	7.8
205.15845	3.8
239.57796	3.4
243.21097	37.5
261.22162	100.0
335.25818	12.7
353.26886	26.7
405.29916	10.3
454.81793	3.7
546.38208	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	546.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05515	5.0
57.03443	2.7
57.07072	1.4
60.78333	0.5
62.06096	0.8
62.66672	0.4
67.05511	7.1
69.03420	1.0
69.07078	6.7
70.69349	1.1
71.04977	1.0
71.08636	4.2
79.05141	0.4
79.05508	5.6
81.07059	11.7
83.04982	0.9
83.08628	2.9
85.06551	0.9
91.05488	4.4
93.07050	6.5
95.01318	0.7
95.04958	0.9
95.08611	9.3
97.06527	2.7
97.10158	1.5
98.98502	3.0
99.08096	3.1
105.07032	6.9
107.08605	7.7
109.06519	8.4
109.10162	3.9
111.08089	1.6
113.04230	3.3
117.07007	1.1
117.72042	0.4
119.08588	9.6
121.06496	0.7
121.10157	5.2
123.07191	1.0
123.08078	17.4
123.08961	1.1
123.11724	1.0
125.09638	1.5
129.06981	0.5
131.08569	2.2
133.10152	7.2
135.08069	8.5
135.11684	2.1
137.09634	1.3
137.13213	0.6
143.08505	1.0
145.01382	0.7
145.10130	3.7
147.11690	3.9
148.84395	0.5
149.09621	2.2
149.13260	2.3
151.11192	0.7
157.10138	2.0
159.11687	2.9
161.09581	1.3
161.13249	1.3
163.11201	0.9
163.14827	0.8
165.12796	1.5
165.18610	0.4
167.14369	1.6
169.10191	0.5
171.11684	0.7
173.13330	1.3
175.14835	5.6
177.12769	3.6
177.16370	1.3
179.14325	23.1
184.09654	0.6
185.13309	0.6
187.14862	0.8
191.14368	1.1
193.12212	0.8
193.15897	1.7
198.05305	0.6
203.14261	0.5
205.15923	3.3
216.06380	1.4
223.16980	0.8
231.15932	0.9
233.19162	0.6
247.20699	0.5
263.20084	1.3
271.20743	0.6
275.20074	1.0
281.21103	0.6
289.21640	7.3
289.24655	0.9
293.21149	2.9
303.26770	1.6
313.25327	0.7
319.22708	1.5
329.24878	0.5
331.26328	12.8
337.23831	0.6
347.25854	1.4
349.23416	0.7
349.27390	5.5
352.21646	0.5
357.27991	1.1
361.27295	0.9
369.27914	1.4
374.30475	1.8
375.28946	2.5
387.28955	5.8
405.30011	100.0
406.30426	2.8
406.34943	0.5
485.26541	1.3
503.27728	4.9
542.65234	0.5
546.31903	1.3
553.84344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01861	1.7
55.05512	5.6
57.03438	4.1
57.07063	1.6
62.06080	1.2
62.74941	0.4
67.05171	0.6
67.05510	9.0
69.03440	0.6
69.07073	7.7
69.40086	0.3
69.44306	3.3
71.04981	1.4
71.08636	4.5
79.05493	5.8
81.07060	12.2
83.04997	1.0
83.08628	3.7
85.06531	1.3
91.05482	4.1
93.07045	8.5
95.04928	0.9
95.08618	10.0
95.09224	0.5
97.06538	2.6
97.10178	1.1
98.98468	3.7
99.08114	2.8
105.07043	6.8
107.07952	0.7
107.08603	7.6
108.94763	0.4
109.06529	8.4
109.10162	4.4
109.63094	0.4
111.08096	1.3
117.07062	1.2
119.08584	9.8
121.06480	0.7
121.10143	6.4
123.08073	15.9
123.11726	1.5
125.09628	1.5
131.08595	3.8
133.10143	9.0
135.08052	9.7
135.09000	0.8
135.11707	2.6
137.09593	2.0
137.13260	0.8
143.08562	0.8
145.10133	4.2
147.11696	5.7
149.09615	2.7
149.13275	2.2
151.14842	0.4
157.10219	1.0
159.11739	3.0
161.09627	1.2
161.13300	1.8
163.11188	0.6
165.09096	0.6
165.12788	0.8
167.14366	1.3
171.11725	0.6
173.02107	0.7
173.13321	1.5
175.14842	7.4
177.12769	3.5
177.16368	1.2
179.14322	25.0
185.13293	0.6
187.14772	0.7
189.16389	0.7
191.14243	0.5
193.12392	0.5
193.15927	2.3
198.05286	0.9
199.14835	0.5
201.16431	0.5
205.15933	4.0
208.16879	0.5
216.06372	1.4
231.15977	1.0
233.19106	0.6
247.20642	0.5
257.18829	0.4
261.22168	1.7
263.20258	0.9
271.20587	0.9
275.20093	1.3
281.21310	0.5
289.21649	7.3
289.24817	0.8
293.21198	2.6
303.26733	1.1
319.22641	1.9
331.26337	12.6
331.30103	0.9
332.26715	0.8
337.23654	1.1
347.25824	1.1
349.23523	0.9
349.27405	7.5
357.27972	0.9
359.29611	0.6
361.27420	1.2
369.27759	0.8
374.30539	1.9
375.28976	2.2
387.28931	7.3
405.30014	100.0
406.30264	2.2
485.26523	1.1
503.27719	4.8
545.21832	0.5
546.31696	1.4
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
55.01874	1.7
55.05505	4.8
57.03425	3.9
62.17560	1.3
64.65025	1.0
67.05510	7.4
69.07070	6.4
70.41472	2.7
70.94288	1.3
71.05000	1.8
71.08623	5.0
73.06564	1.4
79.05492	6.3
81.07066	13.0
83.04990	1.6
83.08605	3.6
85.06521	1.4
91.05485	4.7
93.07048	7.5
95.08636	10.3
97.06597	2.8
98.98460	3.9
99.08109	2.9
105.07043	8.2
107.08620	7.9
109.06524	9.5
109.10164	2.9
111.08063	1.5
113.04228	2.8
117.06961	1.5
119.08606	11.2
121.06493	1.3
121.10149	5.3
122.73553	1.1
123.08082	14.5
123.11696	2.7
131.08609	1.4
132.45970	1.2
133.10181	9.1
135.08075	7.4
135.11670	1.7
137.09659	2.4
145.01357	1.4
145.10147	3.4
147.11691	5.0
149.09642	2.9
149.13290	2.8
157.10098	1.7
159.11703	2.1
161.09575	2.0
173.13315	2.6
175.14874	7.6
177.12793	3.3
177.16333	1.3
179.14322	25.5
193.15968	1.6
205.15883	3.3
244.87260	1.5
263.20120	2.2
289.21741	8.9
293.21191	2.0
326.41718	1.5
331.26346	13.8
349.27515	5.8
361.27338	1.8
369.27917	2.0
374.30676	1.9
387.29141	6.6
405.30032	100.0
406.30353	2.3
503.27701	5.7
528.30804	1.9
546.31299	1.6
546.45374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58156	1.8
53.51631	1.6
55.01874	6.8
56.05037	8.5
58.06610	10.4
58.99594	9.9
60.58115	2.0
61.01126	2.6
61.70401	1.8
65.03944	2.0
67.05506	3.6
68.05015	2.3
69.07067	3.4
70.06601	10.3
72.25641	1.6
73.01145	20.1
74.02452	3.0
76.02238	16.3
82.06570	3.6
83.06105	1.8
84.04508	100.0
84.08147	4.9
85.02920	1.8
86.09718	2.6
88.02229	1.9
89.59367	1.8
91.86311	1.6
96.08128	24.5
99.02676	43.8
101.04238	5.0
104.98306	2.9
112.03978	20.6
113.04272	3.8
113.05100	1.8
116.01690	13.2
116.05322	59.8
116.07091	12.4
119.08632	8.5
124.07593	16.2
126.09161	2.9
127.02119	2.3
129.06575	2.6
130.05040	9.8
130.99870	1.6
134.86256	1.9
142.03236	8.8
142.08607	14.3
144.01126	4.6
144.04788	4.0
162.02200	10.4
170.02695	1.9
170.08133	87.5
172.04251	2.3
179.04874	29.5
182.06401	3.1
190.87798	1.7
200.19450	2.1
202.05313	53.3
219.07996	75.9
229.51868	1.9
245.06013	3.8
245.09575	7.3
273.09024	18.1
291.06454	3.5
330.11102	4.4
331.09363	2.5
348.12234	62.3
363.62488	1.8
377.80963	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.0
55.05531	3.2
56.05036	4.5
58.06608	12.7
58.99586	9.5
61.01161	3.4
70.06603	21.4
70.15085	9.8
73.01147	26.5
74.00674	4.1
74.02453	4.2
76.02234	17.7
76.03970	3.3
84.04512	100.0
84.08138	7.4
85.02863	3.3
86.09703	6.6
96.08146	23.1
99.02684	49.9
101.04255	4.5
104.98317	5.9
112.04004	21.5
113.04237	6.0
114.03808	3.7
115.05815	3.3
116.01694	12.2
116.05327	72.6
116.07072	18.6
124.07605	20.5
130.05008	12.0
142.03221	10.2
142.08691	13.0
144.01198	5.0
144.04788	3.4
149.04633	2.9
160.00629	2.5
162.02220	10.2
170.02704	2.6
170.08139	93.7
179.04892	27.4
202.05345	47.0
219.08018	84.2
245.05841	6.3
245.09711	5.8
273.09076	18.1
291.06570	3.6
348.12286	62.5
537.62122	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	546.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01468	1.4
50.61800	1.3
55.01858	6.2
55.05513	2.9
56.05024	4.4
58.06610	9.2
58.99593	9.7
61.01161	6.9
67.05478	1.6
68.05021	3.6
69.03411	1.6
69.07064	1.6
69.43562	1.2
70.06595	11.5
71.06841	2.6
72.08147	4.4
72.94987	1.3
73.01144	11.1
74.00336	1.3
74.00672	15.0
74.02430	2.5
76.02223	13.0
76.03995	3.8
81.07065	1.3
82.06652	1.3
83.06095	3.8
83.07344	1.4
83.08608	2.3
84.04506	94.4
84.08144	10.0
85.02896	1.8
85.04027	4.4
86.09709	8.1
92.01699	2.1
96.08130	21.9
99.02686	23.2
101.04224	5.0
104.98317	27.1
107.99380	6.2
110.07154	1.4
111.02661	1.4
112.03320	1.8
112.03977	19.1
112.23426	1.3
113.03502	2.9
113.04242	3.9
116.01685	7.5
116.05318	36.2
116.07081	13.3
120.08094	2.6
124.07593	23.7
126.09146	3.3
127.02131	1.7
129.06631	4.7
129.10239	2.4
130.05005	32.2
131.04524	6.3
131.08130	1.4
142.03244	4.7
142.08652	15.3
144.01137	3.0
144.04839	1.7
145.06113	2.2
147.02975	7.8
148.02472	6.3
156.06549	1.9
159.09296	2.0
160.00594	2.7
162.02216	9.1
170.02708	1.7
170.08130	100.0
174.00372	1.8
177.03288	23.1
179.04855	26.0
181.06041	2.5
182.06358	1.6
185.09894	2.5
188.01881	1.7
202.05344	29.5
211.02042	13.3
213.12332	4.1
219.07999	61.8
229.06387	2.1
239.03979	1.8
245.05899	3.2
245.09615	4.4
251.05238	21.8
273.09033	11.8
285.03961	3.9
291.06491	1.7
302.11472	1.4
305.06195	7.7
306.07458	2.5
308.09161	4.0
325.07104	3.0
330.11115	3.0
348.12268	54.4
349.19138	1.5
379.08215	4.0
380.09445	38.6
388.15204	2.0
454.11392	13.8
574.84027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79243	1.6
55.01870	7.9
55.05507	2.7
55.39755	1.5
56.05030	5.0
58.06604	9.6
58.99592	12.2
61.01149	6.8
65.03939	1.5
67.05502	4.3
68.05051	3.7
69.03424	3.6
69.07051	5.2
70.06595	22.7
71.06924	2.1
71.56135	2.3
72.08145	5.9
73.01143	17.2
74.00668	13.1
74.02451	2.5
75.02657	1.9
76.02233	11.8
76.03997	3.8
79.05498	3.4
81.03419	1.7
81.07056	9.1
82.06573	2.7
82.91511	1.4
83.06104	2.7
84.04511	100.0
84.08147	12.2
85.02912	5.7
85.04021	6.3
86.09716	18.7
86.99004	1.6
91.05464	2.3
95.01301	2.7
95.04929	1.8
96.08134	24.8
97.02869	1.8
99.02682	25.8
100.11246	1.5
101.04221	4.2
104.98319	22.1
107.99394	6.1
110.06078	2.1
110.07159	1.9
112.03979	16.8
113.03521	2.9
113.04224	8.8
113.70805	1.3
114.03735	2.3
115.05817	15.7
116.01694	9.4
116.04554	2.9
116.05320	37.8
116.07095	14.8
118.12225	1.7
120.08140	4.1
124.07599	22.0
126.09175	4.2
127.03911	1.6
129.06598	2.4
129.10228	4.8
130.05017	30.4
131.04533	2.5
142.03235	7.3
142.08620	15.8
144.01123	4.8
145.01436	3.2
145.06104	2.3
147.02940	6.5
148.02477	6.1
153.05440	2.0
156.06525	1.5
159.09219	1.9
160.00679	2.0
162.02254	7.5
169.66411	1.4
170.02769	1.7
170.08133	90.2
177.03299	17.5
179.04865	16.5
182.06351	2.0
188.02109	2.1
202.05342	25.8
211.02081	13.6
213.12405	3.3
215.05475	2.2
216.05815	1.4
216.82797	1.4
219.08002	47.7
229.06503	1.8
245.05948	3.4
245.09459	2.1
247.03357	1.3
251.05205	27.2
253.04587	1.7
265.03043	1.5
273.09009	8.6
285.03912	8.1
291.06198	1.8
305.06223	7.8
323.03156	1.6
325.07196	5.1
330.11118	1.8
340.06107	2.5
348.12250	42.9
354.85226	1.6
379.07739	1.8
380.09415	20.0
386.28979	1.5
454.11301	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	546.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05917	0.9
54.98222	1.1
55.01873	7.1
55.05504	1.9
56.05045	5.5
58.06602	8.4
58.99578	6.6
59.26508	1.1
60.99147	1.3
61.01163	5.1
61.13910	1.0
63.00706	1.3
65.03921	1.2
67.05507	2.4
68.05042	2.7
69.03425	1.6
69.07080	2.6
69.48624	7.7
70.06255	1.3
70.06602	12.1
71.04968	1.2
72.08132	1.7
72.16045	0.9
73.01144	10.6
73.61051	1.2
74.00666	14.6
74.02433	1.7
75.09581	1.0
76.00227	1.1
76.01823	1.3
76.02231	12.3
76.03979	2.3
78.01805	1.9
82.06597	2.2
83.06102	1.1
83.07353	1.0
83.08618	1.2
83.88972	1.1
84.04510	100.0
84.08147	8.7
85.02892	2.7
85.04031	5.8
85.04816	2.7
86.09717	7.5
88.02204	1.2
88.09097	1.0
90.92876	1.0
91.05519	1.2
92.01703	1.5
96.08143	22.2
99.02065	1.6
99.02682	22.3
101.02282	1.9
101.04240	2.8
104.98319	23.3
106.97916	5.9
107.99401	3.9
110.06040	2.2
112.03971	20.1
113.03474	1.7
113.04217	1.8
114.03769	1.3
116.01689	7.4
116.05323	36.9
116.07085	10.9
118.04907	3.3
119.08609	2.3
124.07608	21.7
126.09119	3.8
129.06628	2.1
130.05011	34.1
130.99835	1.2
131.04526	4.9
138.59666	1.0
142.03189	4.0
142.08647	15.5
144.01169	4.0
144.04729	1.6
145.06081	5.0
147.02965	7.4
148.02509	8.1
150.02049	2.2
156.06554	2.5
160.00656	2.0
162.02229	11.0
162.50693	1.1
170.08139	93.9
171.08493	3.5
172.08682	1.4
174.00504	2.2
177.03305	18.4
179.03113	1.8
179.04868	24.8
181.04419	1.8
181.06030	1.5
182.06354	1.0
187.10847	1.4
188.01990	1.3
202.05325	20.7
204.04965	1.3
211.02052	11.4
213.01700	1.7
213.12416	4.5
219.08000	58.0
220.08353	2.4
221.07693	5.0
227.08447	1.2
229.06407	2.0
233.05965	1.3
245.06003	4.2
245.09622	2.7
251.05199	17.9
253.04839	4.4
266.05154	1.1
273.08920	7.1
285.03848	2.8
291.06656	2.4
305.06213	5.0
306.07001	1.2
307.05988	1.3
308.09091	3.6
323.03845	1.4
325.07037	2.2
331.09509	1.3
348.12277	48.8
349.12790	2.6
350.12219	5.8
379.08008	2.6
380.09424	28.7
381.09454	1.8
382.09250	6.7
454.11438	10.6
456.11392	5.8
558.45612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.5
54.46632	3.6
55.01880	6.6
55.05516	35.1
57.03429	8.1
57.07067	5.4
58.63857	2.5
65.03943	3.7
66.53689	3.1
67.05169	5.1
67.05513	71.5
67.47081	3.0
69.03423	4.5
69.07076	16.8
70.06886	9.4
71.05016	3.2
79.05499	49.2
81.03428	26.1
81.07067	63.2
83.04975	8.6
83.08649	20.3
91.05486	36.5
93.07057	45.9
95.04972	21.3
95.08607	44.2
97.06522	7.3
97.10180	17.5
105.07035	30.4
107.04965	8.3
107.08600	31.9
109.06519	4.9
109.10172	26.2
111.08077	5.3
117.07021	12.3
119.08595	30.4
121.06519	9.8
121.10174	19.7
123.08036	6.2
123.11729	6.1
125.09619	14.1
129.06999	9.9
131.08618	21.2
133.10155	20.3
135.08102	3.5
135.11690	10.1
137.09636	4.4
138.20247	3.2
141.07066	3.1
143.08585	11.0
145.10117	21.7
147.08026	4.8
147.11717	14.9
149.13307	8.3
153.09030	3.7
155.08563	3.5
157.10178	11.8
159.08015	4.0
159.11697	14.7
161.13272	9.0
169.10204	3.4
171.11768	8.8
173.13342	9.6
183.11722	3.9
185.13280	4.4
187.14853	10.9
189.11256	9.7
193.12375	6.0
199.14867	5.2
214.94814	3.9
227.12778	15.3
261.22247	11.7
267.16052	19.4
288.16360	3.5
294.71182	3.4
301.25409	18.1
309.03085	3.4
335.25824	18.8
359.25827	3.5
421.25943	4.8
435.27637	4.5
435.32806	9.7
453.33615	17.9
471.34735	8.4
527.37354	50.0
545.22687	5.6
545.38446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01875	6.5
55.05514	42.6
57.03440	6.8
67.05171	5.3
67.05511	70.5
69.03440	6.5
69.07065	21.8
69.47148	20.5
71.04975	2.7
77.63667	3.0
79.05493	46.2
81.03419	21.6
81.07066	65.9
83.04973	7.6
83.08627	21.0
85.06551	4.6
86.09707	3.9
91.05482	39.9
93.07056	45.8
95.04972	22.7
95.08607	46.2
95.09167	4.0
97.06528	7.3
97.10183	21.3
105.07043	37.4
107.04985	7.4
107.07937	5.3
107.08591	33.4
107.27980	2.5
109.06543	7.4
109.10170	27.4
111.08131	4.8
117.06993	13.2
119.08578	30.8
121.06522	8.3
121.10136	19.5
123.08112	6.7
123.11733	10.5
125.09659	14.2
129.07024	10.9
131.08592	30.2
133.06566	3.5
133.10129	23.8
135.08081	8.5
135.11703	12.7
143.08623	8.9
145.10123	22.4
146.98209	9.1
147.08101	4.5
147.11726	17.8
149.09709	3.9
149.13289	6.5
151.11169	2.5
155.08601	5.8
157.10181	11.0
159.11633	14.7
161.13315	8.6
163.11143	3.5
169.10127	5.5
171.11754	11.5
173.13297	11.4
175.11212	4.8
175.14859	5.0
183.11731	3.7
185.13318	5.7
187.13429	4.2
187.14941	5.8
189.11221	13.1
193.12305	10.1
199.14810	4.4
209.13293	4.0
211.14969	3.0
227.12759	12.9
247.97794	3.1
249.14886	3.0
261.22052	14.0
267.15842	18.2
285.22177	2.6
285.62042	3.3
301.25293	17.8
317.24805	3.1
327.23453	2.8
335.25870	15.6
343.22949	3.4
359.26086	3.0
421.26199	5.8
435.32730	8.1
453.33813	13.0
471.34723	14.1
486.26865	6.4
509.36374	5.7
527.37366	62.7
528.37842	5.0
535.19708	3.3
545.38507	100.0
546.39941	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.3
55.01860	5.9
55.05518	33.3
57.03434	10.0
60.08171	4.2
65.03935	3.1
67.05511	81.5
69.03424	4.4
69.07077	26.0
71.04982	6.6
71.05347	5.5
73.96840	2.4
79.05502	51.9
79.80910	2.7
81.03432	32.1
81.06586	3.8
81.07066	77.7
82.07420	2.8
83.04982	6.3
83.08632	23.1
85.02902	5.4
85.06557	4.9
86.09711	15.5
91.05489	50.2
91.06023	5.0
93.07051	57.2
95.04981	25.8
95.08623	43.9
97.06535	9.8
97.09145	2.3
97.10181	16.0
98.85815	2.6
104.10767	16.4
105.07046	43.8
107.04981	8.2
107.08614	28.9
109.06561	7.1
109.10180	30.1
110.35332	2.9
111.08070	5.3
115.05476	3.1
117.07037	18.5
119.08604	25.8
121.06525	4.8
121.10149	28.4
123.08079	2.5
123.11720	9.9
125.00014	3.9
125.09655	14.6
128.06236	2.9
129.07021	9.7
131.08592	33.2
133.10167	24.8
135.08078	7.8
135.11702	11.8
137.09659	5.4
141.07004	3.1
143.08575	10.7
144.09372	2.8
145.06500	3.5
145.10152	22.9
147.08122	4.6
147.11717	18.0
149.09685	5.3
149.13290	8.7
152.05609	4.4
155.08586	8.6
157.10181	12.0
159.08084	3.0
159.11711	19.9
161.13292	7.7
163.11174	4.2
167.08723	3.0
169.10199	6.9
171.11719	9.7
173.09662	3.1
173.13295	11.3
175.11301	3.5
175.14864	6.3
181.10229	4.2
183.11703	6.9
184.07397	15.2
185.13394	4.9
187.14879	6.9
189.11288	10.3
189.12831	3.4
193.12277	11.2
197.13304	2.8
199.15021	3.4
213.16426	4.0
223.13412	4.1
227.12753	13.7
233.15298	4.0
243.21082	3.0
261.22165	16.0
267.16025	18.3
274.17776	2.6
275.20013	3.1
285.22104	3.1
301.22247	3.3
301.25253	16.7
303.23160	5.0
317.24823	4.3
335.25842	17.2
417.31805	5.0
425.34329	3.3
435.32819	7.9
453.27350	4.4
453.33337	18.2
471.34576	14.5
509.36197	3.3
527.37292	65.6
545.38422	100.0
546.36200	3.2
556.06879	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	544.334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05511	3.6
56.05022	1.0
57.03412	0.4
57.05827	0.5
58.06598	2.7
60.04538	1.0
60.08167	1.0
68.36288	0.4
69.03397	0.4
69.07070	5.6
70.06596	10.9
71.06921	0.6
71.54568	0.4
71.54927	0.5
72.08159	32.2
73.08949	1.0
74.06080	0.8
79.51772	0.4
83.06113	0.4
84.04494	2.8
84.08142	4.8
85.02895	0.6
85.08481	0.5
86.09709	100.0
87.10028	1.0
88.03994	2.8
91.05503	0.5
97.02904	0.7
97.06458	0.4
100.07639	0.5
101.07160	0.8
102.05540	6.4
102.09187	7.2
105.04495	0.5
109.02922	0.9
110.07169	1.0
111.02650	0.5
113.01700	0.5
114.09170	0.6
116.07082	0.9
118.08658	3.0
120.08149	0.9
126.02457	0.4
127.03970	0.7
129.06570	0.4
129.10249	3.0
130.05017	0.6
130.10606	0.4
134.05989	0.8
136.06572	0.4
136.07530	0.9
141.06615	1.2
141.10268	0.5
142.01956	0.5
143.02785	0.5
143.11804	0.6
148.06053	12.8
151.03323	0.4
157.13383	5.9
159.11296	0.4
168.05998	1.6
171.11430	0.6
173.09267	1.3
177.05597	0.4
177.31689	0.4
183.08278	4.5
185.10080	0.9
185.12889	15.0
185.16496	26.8
186.12425	0.6
199.18098	1.7
201.09315	22.9
201.12361	1.0
202.09819	0.7
205.09772	0.6
211.14474	0.6
213.15991	36.2
215.13988	0.8
219.09789	7.4
227.17570	1.3
239.17696	0.6
243.13470	0.7
245.08293	0.6
261.60455	0.5
262.17947	0.5
280.87830	0.4
281.22217	1.9
284.19714	2.6
298.18036	0.5
298.21344	1.5
326.20538	0.9
326.24380	12.1
332.18167	7.2
345.10019	0.8
363.10950	2.5
369.28683	1.6
382.22388	0.7
397.28101	4.4
436.12128	2.6
482.10977	1.4
500.11914	0.7
544.33868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.9
55.05507	3.7
56.05034	4.1
58.06590	7.8
58.99596	11.2
61.01154	15.7
64.18640	1.5
66.43835	1.5
67.05496	2.6
68.05033	3.7
69.03442	4.1
69.07082	10.2
70.06599	88.9
70.32525	3.2
70.99603	2.1
72.08158	13.2
73.01144	10.2
74.00667	18.8
74.02439	1.8
76.02226	9.2
76.04032	2.1
79.05489	3.0
81.07063	12.2
82.06523	1.5
83.06091	2.2
83.08633	2.1
84.04509	100.0
84.08153	30.3
85.04034	5.9
86.09709	60.0
87.02682	2.1
87.10052	2.4
88.04012	1.5
92.01712	2.7
96.08138	24.4
97.06508	2.9
99.02683	14.7
101.04244	4.7
102.05553	4.8
104.98323	35.3
105.07044	2.7
107.08554	2.6
107.99413	11.8
110.05997	1.9
112.03994	15.5
113.03517	1.7
113.04219	4.0
114.03752	2.7
115.05804	19.1
115.08700	2.8
116.01669	7.8
116.05316	20.2
116.07085	10.8
118.06905	28.1
124.07591	20.4
126.09148	5.2
127.08657	3.1
129.10213	10.1
130.05031	36.2
130.06490	11.9
131.04532	5.3
132.08092	4.7
132.10219	20.2
136.07506	2.3
141.06586	2.9
142.08635	14.9
143.11821	14.3
144.01093	2.2
145.06107	2.6
147.02979	6.1
148.02531	9.0
156.06596	2.0
159.09178	16.8
160.00658	3.9
160.09523	2.1
161.13219	3.2
162.02242	7.8
169.06116	2.3
170.05908	4.1
170.08139	81.0
173.13208	1.6
174.00470	4.7
177.03331	23.7
179.04861	15.9
183.14925	9.5
189.12350	10.5
201.99794	2.2
202.05316	12.4
210.15906	2.4
211.02075	20.4
211.14355	1.9
213.12328	5.3
219.07983	33.6
226.33060	1.6
234.02748	2.0
251.05190	36.5
254.15036	5.8
255.21118	1.9
265.03073	2.7
273.09052	3.9
274.15921	2.8
285.03867	11.2
291.06424	2.4
298.03033	1.8
300.15802	2.2
305.06076	11.9
311.17639	2.8
317.11487	3.1
323.03464	2.2
325.07129	6.6
340.06415	2.9
340.18661	1.9
348.12292	24.1
371.22702	3.9
379.08270	2.2
380.09460	29.8
380.13828	3.2
398.50299	1.6
442.24426	1.9
454.11487	18.3
472.20612	2.6
528.30066	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	544.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85497	0.9
51.51254	0.8
55.01880	1.0
55.05502	1.3
57.03435	2.3
60.04526	1.0
65.21133	0.8
67.05501	1.7
69.03432	24.5
69.07064	1.6
70.06596	12.7
72.08158	3.2
72.83884	0.8
74.00690	1.1
79.05486	4.1
81.07063	1.2
83.01335	1.9
84.04496	3.5
84.08142	3.7
85.02910	26.5
86.09713	13.3
86.24213	0.7
87.04456	1.1
87.05584	0.8
91.28564	0.7
95.01334	46.1
95.04984	7.2
97.02881	1.5
97.06540	5.1
98.20638	1.0
102.05556	1.4
103.03950	1.2
104.98339	1.7
107.04977	2.4
110.07190	2.0
111.04469	1.5
111.97541	0.9
112.04023	1.0
113.02369	2.1
113.04201	1.2
113.05991	2.1
116.07136	1.2
118.99365	1.0
120.08106	2.1
123.04445	2.7
125.05997	39.0
127.03940	2.9
129.10275	2.3
130.05013	1.0
132.10220	1.7
141.05479	2.3
142.08676	1.1
143.07059	4.1
143.11880	1.0
151.03941	4.3
153.05479	52.2
169.04945	1.9
170.08115	2.0
179.03432	1.5
185.09875	1.5
187.06055	2.5
197.04465	23.8
198.05159	1.7
199.05864	1.0
201.12433	1.4
206.87297	0.8
215.05513	100.0
219.08087	1.3
232.08350	1.1
273.22986	0.9
276.96732	2.3
294.63797	1.0
294.97662	12.1
311.97021	0.9
343.17462	0.9
393.08170	8.1
411.09061	4.1
416.48718	1.0
429.10297	2.5
544.06116	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	544.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.5
56.05043	4.2
57.43491	2.5
58.06594	9.4
58.84912	2.5
58.99585	14.5
67.05515	3.0
68.05031	3.2
69.27555	22.3
70.06579	12.2
73.01154	11.8
74.00650	4.3
74.02431	4.9
76.02229	18.4
80.05025	2.9
81.07066	3.9
82.06583	3.3
84.04507	100.0
84.08146	5.9
84.49715	2.8
86.99067	3.4
94.06403	2.8
96.08143	19.5
99.02679	45.4
99.97408	2.5
101.04243	5.8
104.98328	5.6
112.03967	18.8
113.04304	2.1
115.05800	3.0
116.01678	13.4
116.05320	59.7
116.07053	12.5
117.88663	2.3
119.23900	2.2
124.07582	18.2
127.02160	2.8
130.05005	12.2
142.03217	7.2
142.08632	20.3
144.01154	3.9
144.04782	4.0
160.00697	3.8
162.02226	11.3
166.00320	2.9
170.08124	87.3
179.04854	24.0
202.05330	51.6
219.07976	77.1
245.09546	5.1
273.09052	16.6
300.14615	3.1
320.57343	2.5
330.11108	3.7
340.06265	3.1
348.12277	48.0
454.11420	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	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10339	0.2
71.53418	0.3
71.53754	0.3
102.04048	0.6
103.04107	0.4
119.01925	0.4
131.01888	0.4
132.02011	0.3
148.70433	0.3
149.00050	0.2
149.01268	0.5
162.49953	0.2
173.02928	0.3
174.04375	0.3
185.03027	0.3
186.03117	0.3
188.04019	0.3
191.02379	0.3
200.04102	0.3
219.03334	0.4
231.65005	0.2
236.04378	0.3
237.04576	0.6
260.04462	1.9
261.04639	3.7
262.06168	0.5
292.92322	0.3
320.06229	0.3
321.06625	0.8
334.49707	0.2
363.07037	4.6
381.07980	18.7
393.42996	0.2
543.13251	100.0
544.13660	1.7
547.83636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.0
56.05036	1.5
69.07072	5.4
69.95580	0.4
70.02964	0.9
70.06596	100.0
70.13814	0.4
71.17957	0.9
72.07748	1.3
72.08159	25.6
72.95798	0.4
74.06081	1.3
74.73678	0.4
81.03436	0.5
84.04521	1.8
84.08142	3.0
85.02910	1.4
85.04035	2.1
86.09711	61.7
87.05595	7.6
91.05469	0.6
92.58010	0.5
93.07041	0.5
96.08138	4.1
98.02434	4.6
98.28526	0.5
101.07127	0.6
102.05556	0.9
105.06936	0.5
110.07183	1.3
110.09687	2.3
113.10759	2.6
115.05048	1.1
116.07108	2.0
120.06597	1.1
120.08096	1.0
124.07622	0.8
127.70103	0.5
129.10254	1.4
130.05009	1.2
136.07617	0.6
138.09152	4.1
141.10228	19.3
146.05998	0.7
149.75772	0.5
155.11803	23.2
166.09915	0.6
169.13432	0.9
170.84016	0.5
179.11766	0.5
183.11317	12.8
185.09769	0.6
195.14961	0.8
197.12901	1.6
199.10805	1.8
200.13954	65.4
201.14224	0.7
213.12447	0.9
217.11848	81.9
222.16104	3.2
228.13448	55.6
267.07822	0.6
268.16565	2.8
285.08551	0.5
289.15186	0.6
289.51291	0.5
292.16605	0.5
299.20749	2.1
309.19150	1.4
310.17511	1.3
313.08365	0.9
316.18707	7.6
327.20279	27.2
348.12228	0.6
362.00125	0.5
469.19815	0.6
534.44464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.5
59.84127	1.0
70.29859	1.2
70.30197	3.7
87.02693	3.8
97.02894	2.3
98.21449	1.9
98.97592	4.4
101.00883	8.2
103.02447	1.8
108.72305	1.2
113.00869	3.3
115.02407	1.5
116.98627	2.7
118.01085	1.1
119.01934	23.2
127.02561	1.3
129.03963	2.2
131.00174	3.2
131.01917	19.8
133.03464	1.9
136.06213	3.2
137.02959	3.8
139.02446	2.1
141.03946	1.4
142.01154	7.8
143.01939	5.6
145.03439	6.7
146.99654	2.4
147.01395	2.9
147.05075	1.6
149.01202	7.4
149.03004	2.7
152.05620	1.5
153.00388	1.3
155.01901	6.6
157.03471	4.5
158.99734	1.6
159.01404	1.3
159.05093	1.9
160.02182	7.4
161.01157	2.1
161.02969	7.5
164.99016	1.4
167.01964	2.1
169.03499	2.2
170.99899	1.7
171.01434	7.1
171.05087	1.9
172.02136	2.8
173.01218	8.8
173.02795	9.7
175.02788	5.2
175.04419	1.4
177.00815	2.6
177.02492	3.2
185.01324	1.7
185.02914	11.2
187.04581	2.7
189.00812	2.4
189.02434	2.5
191.02251	51.7
193.03873	1.6
197.03027	4.4
199.04361	1.2
201.00716	11.8
201.02521	2.8
203.02242	7.1
203.04063	4.3
209.03276	3.1
215.02237	32.6
215.04021	2.7
219.01782	13.2
221.03276	1.3
225.02512	1.7
227.02246	5.6
227.04156	2.3
229.03847	1.2
233.03331	23.7
237.02802	12.5
243.01717	12.6
243.03619	1.4
245.03218	3.9
245.05333	12.1
251.02339	1.3
253.00696	1.4
257.03125	1.4
261.02805	100.0
262.02991	2.6
263.06467	1.5
269.03351	2.7
273.02664	17.9
279.03845	52.0
280.04092	1.2
285.02829	3.5
291.03760	13.3
297.02872	3.0
302.05533	2.1
303.03766	2.0
305.07300	2.1
315.03867	2.9
317.05298	2.4
319.84543	1.2
321.04910	33.8
327.03824	1.9
345.04892	13.1
363.05966	63.2
364.06119	2.0
364.12027	1.2
381.07010	82.9
382.07291	1.6
398.82950	1.2
453.09735	3.1
543.12518	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.9
51.02380	2.2
53.03948	8.9
55.01867	2.5
55.05514	26.8
57.03433	3.3
57.07079	11.6
58.06599	1.5
58.07410	1.2
59.05001	0.8
62.32412	0.8
65.03938	5.2
67.05510	79.2
69.03428	2.3
69.07071	24.2
70.06599	11.0
71.04991	3.4
71.08634	5.5
73.02908	0.9
73.06565	1.7
77.03920	2.0
79.05499	100.0
81.03419	7.0
81.07064	72.3
83.04991	10.5
83.08626	11.0
84.08928	0.8
85.06559	3.0
85.10197	2.6
87.04507	0.8
88.07637	11.5
89.07961	1.6
91.05486	73.5
93.07050	92.3
95.04980	22.0
95.08612	48.1
97.06522	4.9
97.10176	4.6
99.08070	1.1
102.09187	8.6
103.05472	2.2
105.04539	3.2
105.07039	47.8
107.04955	3.4
107.08603	32.1
109.06525	5.9
109.10164	13.9
111.08099	2.1
111.11698	1.1
115.05447	1.4
117.07024	16.5
119.08591	29.4
121.06547	2.0
121.10151	21.5
123.08091	5.9
123.11732	2.7
123.90733	0.8
125.09642	1.0
127.07555	0.9
128.06261	2.2
129.07011	15.7
130.07867	1.5
131.08585	14.6
133.06526	1.2
133.10150	15.3
135.08058	1.4
135.11707	15.2
141.09135	0.9
143.08565	9.0
145.10135	14.7
147.08072	2.0
147.11697	33.0
149.13264	5.8
151.11168	0.8
155.08592	2.8
156.09369	1.5
157.10138	4.7
159.11691	7.7
161.09604	5.3
161.13263	13.4
163.11218	0.9
163.14865	2.1
168.56918	0.8
169.10155	2.4
171.11700	26.9
173.13283	5.2
175.14883	2.4
179.14261	1.2
183.11769	3.3
185.13316	2.7
187.14812	2.0
189.12764	8.8
195.11691	1.4
199.14905	1.6
201.16458	0.9
207.11957	1.0
207.13818	25.2
209.13365	1.0
213.16496	1.2
225.14944	3.3
243.21144	1.9
256.26382	15.7
257.26740	8.6
261.22150	5.2
274.27319	1.3
281.17627	3.1
283.26248	5.0
284.26697	2.8
284.29605	4.2
285.29898	2.5
311.29419	14.5
312.29819	11.4
317.24792	1.4
385.82352	0.9
449.34335	3.1
467.35382	1.6
523.37885	3.1
540.53546	11.7
541.39001	82.6
541.53680	53.8
542.39227	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	541.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	10.9
55.93519	1.3
56.94318	2.3
57.05827	1.2
58.45201	1.0
64.60873	0.9
64.91370	0.9
69.03436	1.3
69.83940	2.1
69.84339	4.0
70.06590	3.8
70.95840	1.0
72.08160	100.0
72.93790	3.8
81.03440	1.3
84.08136	1.6
85.02906	2.4
86.09712	8.8
90.94838	3.2
97.02918	2.7
98.21438	1.8
103.86091	0.9
109.02895	1.5
116.07080	6.1
128.96371	3.7
132.10197	3.9
132.95821	7.3
136.06206	2.7
138.38440	1.0
140.96367	1.9
144.95860	5.2
146.65570	0.9
146.97424	1.6
150.96892	2.3
152.96344	1.2
153.23094	1.1
156.95889	1.0
158.97414	14.0
162.96957	5.1
168.95876	8.5
170.97404	3.2
174.96904	5.3
176.98463	6.3
186.96909	6.8
188.98497	2.7
198.96867	4.1
200.98453	2.8
204.98021	1.8
210.96919	6.9
214.96385	1.4
216.97984	9.4
222.96962	2.8
229.15485	4.0
231.17062	42.1
234.99020	31.3
236.98431	2.1
240.97890	2.0
252.97836	1.6
253.00137	3.5
258.00449	1.0
270.39166	1.2
277.00079	22.9
287.22266	1.0
289.00018	3.8
291.01694	2.0
295.01199	1.7
300.99960	3.1
313.00082	11.3
315.02066	1.3
321.02670	1.1
337.02225	3.5
343.01044	2.4
349.01907	1.9
361.02206	4.9
374.96399	1.0
379.03244	16.7
541.08527	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	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
54.98368	1.9
55.01880	3.1
55.05512	16.1
57.03437	2.8
57.07077	15.5
67.05511	30.3
69.07070	12.7
70.06597	12.1
71.08605	9.3
71.29989	3.0
72.08950	2.0
72.84237	2.0
79.05496	24.3
79.49250	2.0
81.07058	30.9
82.07352	2.5
83.04996	3.8
83.08621	6.9
85.10208	3.9
88.07627	12.0
91.05486	24.5
93.07053	28.4
95.04983	6.5
95.08607	21.3
96.90926	1.9
97.06519	3.1
97.10182	3.1
102.09200	6.9
105.07036	16.9
107.08572	11.5
109.10168	11.3
115.05477	2.7
117.07008	10.1
119.08570	11.5
121.10145	11.6
123.11732	3.4
125.09656	2.0
128.06174	4.0
129.06995	13.0
130.07762	3.0
131.08566	18.0
133.10152	7.3
135.11748	8.2
141.07031	7.2
142.07828	2.2
143.08565	17.3
145.10143	16.8
147.11694	6.3
153.06992	2.5
155.08563	10.1
157.10150	14.8
159.11755	8.3
161.13295	3.8
167.08612	4.8
169.10149	14.1
171.11739	13.9
173.13338	5.1
181.10153	6.2
183.11763	9.2
185.13295	6.9
187.14897	2.5
193.43790	2.1
195.11719	6.7
197.13298	6.3
199.14920	6.3
201.16347	2.5
207.11920	2.3
207.13872	3.3
209.13252	3.1
211.14859	5.4
213.16541	3.2
221.13400	4.1
223.14792	3.0
225.16455	3.1
227.18289	2.4
239.17998	2.3
243.21335	2.6
256.26367	22.5
257.26837	10.1
261.22339	3.5
274.27618	3.8
281.17801	2.6
283.26486	5.6
284.26730	4.4
284.29578	6.6
285.29810	3.3
311.29520	15.8
312.29868	14.2
317.24915	3.2
323.23547	2.0
337.21750	2.0
337.25598	2.4
340.75589	2.4
343.46313	1.9
431.33105	5.5
449.34409	12.6
467.35394	6.4
485.36301	3.5
523.37982	9.4
540.53534	24.1
541.38989	100.0
541.53772	63.5
553.02850	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	540.9889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05621	0.4
56.96570	5.7
66.94484	0.4
71.53543	0.4
71.54243	0.4
71.95293	2.1
73.33830	0.3
80.34272	0.4
98.97591	57.8
100.28269	0.5
116.98633	48.0
130.93314	0.6
131.00209	0.5
134.99672	22.7
140.00201	1.2
153.00720	3.1
158.01228	0.4
172.94356	2.2
185.39334	0.4
190.95436	3.2
208.96458	1.4
214.95354	1.8
232.96495	7.2
240.98863	1.1
248.94727	0.4
250.97575	4.0
256.96436	15.0
258.99869	6.9
261.03149	0.8
272.94427	0.4
274.97534	100.0
275.97855	1.2
276.97873	0.6
277.00824	9.6
282.99933	0.9
284.99710	0.6
288.99133	1.4
290.95587	0.7
292.98587	60.3
293.98877	0.4
294.99200	0.5
297.99078	3.4
298.97839	1.3
301.01062	1.1
303.01001	0.8
307.00275	1.2
314.95612	0.9
316.00229	1.9
316.98828	2.7
332.96524	0.8
382.99686	0.5
398.97632	19.3
401.00845	2.5
416.98715	45.3
417.98734	1.1
419.02197	0.4
431.00201	0.9
432.96704	0.8
434.99921	8.7
440.00375	3.3
456.96478	0.9
474.97516	0.7
540.98877	10.8
541.98676	0.8
558.96375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.39
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00075	0.8
53.03946	1.2
55.05513	3.7
57.03424	0.7
57.07082	16.8
58.06593	1.4
60.98955	0.9
67.05506	7.8
69.03432	3.6
69.07077	4.4
69.98608	3.5
70.06599	12.6
70.06960	1.4
71.04991	0.9
71.08636	7.0
73.02929	1.3
79.05495	6.1
81.03423	3.9
81.07064	10.3
83.04989	0.8
83.08630	2.7
85.02910	2.9
85.10205	3.6
85.68369	0.7
86.84403	0.7
87.04462	1.5
88.07639	17.3
89.06040	43.8
91.05470	6.3
93.07045	6.4
95.04985	1.0
95.08614	7.9
97.02917	1.6
97.10165	1.6
102.09185	13.4
105.07043	3.8
106.08714	1.0
107.07053	1.3
107.08600	3.3
108.04545	1.2
109.02859	1.2
109.10181	3.4
111.08143	1.1
117.07019	2.6
118.42850	0.7
119.08602	3.0
121.10155	2.7
123.11788	1.0
125.13248	0.7
127.03931	1.9
129.07083	0.8
131.08563	3.7
133.08617	29.9
133.10202	2.1
143.08566	1.2
145.10158	1.9
147.11699	1.3
149.13292	1.4
151.07634	0.9
157.10207	1.3
159.11752	2.0
163.14801	0.7
173.13269	1.4
177.11234	8.2
179.08812	0.7
187.14873	1.1
199.14722	0.8
221.13824	1.5
239.15019	2.0
256.26382	29.1
256.29089	1.5
274.27423	2.9
283.17569	0.9
283.26361	13.6
284.29507	11.6
289.21503	0.8
302.30353	1.0
303.23285	1.0
311.29456	32.4
327.20123	20.2
327.23813	1.2
341.24951	1.3
351.23227	1.4
369.24310	2.7
377.92783	0.8
387.25455	2.6
405.26535	2.7
423.27356	1.1
463.09692	0.8
487.74405	0.9
540.53558	100.0
556.40802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.22567	0.4
60.55279	0.3
67.05511	1.9
69.07049	0.5
71.29581	1.1
79.05471	1.7
81.07063	1.9
83.08604	0.7
91.05470	1.5
93.07030	1.1
95.08598	0.8
105.07009	1.4
107.08572	0.6
109.10211	0.4
116.84745	0.4
117.06983	0.6
119.08559	1.2
121.10168	0.4
122.76176	0.4
128.98656	0.4
129.06976	0.6
131.08597	1.0
133.10124	0.8
143.08586	0.5
145.10051	0.7
145.41388	0.4
155.08606	0.7
157.10121	1.0
159.11673	0.7
167.08618	0.5
169.10130	0.5
171.11679	0.8
181.10229	0.9
183.11697	0.9
185.04153	0.5
185.13354	0.4
197.13226	0.8
203.05270	1.1
209.13290	0.6
211.14888	0.5
223.14941	0.7
247.14693	0.5
259.07901	0.7
267.25726	0.4
296.91650	0.4
329.75159	0.4
385.47162	0.4
447.32513	1.3
457.08862	0.4
457.96048	0.5
464.37338	0.4
465.33548	0.6
539.31787	100.0
540.32330	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	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	1.7
63.58794	0.5
79.15398	0.5
81.07036	1.0
95.08633	0.6
113.04307	0.6
125.01730	0.6
133.10228	0.6
204.81212	0.5
225.24434	0.7
398.41638	0.7
496.39185	1.0
539.31958	100.0
540.32324	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	540.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.3
57.07065	4.3
60.08168	12.0
67.04244	9.4
67.05514	2.2
68.05017	3.5
69.05813	2.3
69.07079	8.2
70.06606	1.1
71.08626	2.4
71.55810	0.8
71.56219	1.0
79.05490	2.0
80.05005	1.5
81.07055	4.1
83.04981	0.9
83.08637	6.0
85.26271	0.9
88.07591	0.9
93.07015	1.9
95.06097	3.9
95.08596	2.7
97.06525	2.5
97.10152	2.7
98.00629	1.5
99.01431	1.7
100.02189	2.7
101.03498	1.0
107.06085	26.6
108.06859	3.8
109.10159	1.5
111.05608	1.2
112.86181	0.9
113.04213	1.5
125.01715	15.7
125.97411	0.9
126.02483	15.1
127.03277	35.8
128.04076	2.2
129.03922	1.5
129.04837	18.1
129.05766	0.9
137.63504	1.2
140.29662	0.9
141.04832	7.8
143.02722	1.3
161.10712	1.2
169.04330	35.0
171.05872	1.7
185.03847	2.7
185.09825	1.7
213.03366	1.0
228.11679	25.2
256.26376	1.5
264.78790	1.1
272.10715	1.3
282.36179	1.2
357.32574	1.2
381.85873	0.9
391.31418	2.9
401.29816	1.9
419.30872	8.9
437.32025	4.5
496.39374	100.0
497.39792	1.8
540.30640	6.1
540.39301	8.4
540.53137	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	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04762	0.6
54.05526	0.6
60.08168	6.2
61.01142	0.6
67.05484	1.3
69.07048	0.6
69.66171	4.1
70.06583	0.9
71.07360	2.9
71.54006	0.6
74.09711	1.7
81.07039	1.1
84.32225	0.6
86.09711	29.1
91.05800	1.9
95.08624	0.9
96.26324	0.6
98.98466	3.1
104.10741	3.6
104.98331	0.8
113.04216	1.8
125.00013	22.2
167.05525	1.9
177.05580	0.7
184.07350	100.0
199.90938	0.6
283.02890	0.8
299.06268	3.1
302.74820	0.7
312.19138	0.7
344.97220	0.7
380.41422	0.7
415.03674	1.3
518.32715	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	536.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87320	0.3
55.01868	0.5
55.05518	0.7
56.05028	0.6
57.03410	0.3
60.04527	0.4
65.03957	0.3
67.05504	0.6
68.05041	0.6
69.03437	0.5
69.07069	0.5
70.06598	100.0
71.06112	1.4
71.06936	0.4
71.55031	0.4
71.88793	0.3
72.08160	3.0
73.01139	0.6
74.00668	0.7
74.06094	0.4
76.00272	0.3
76.02232	0.6
78.01833	0.4
81.07077	0.3
83.06107	0.5
84.04509	5.0
84.08157	3.6
85.02900	1.0
86.09717	6.2
86.10231	0.4
87.10085	0.3
88.03972	0.4
91.05447	0.5
94.06518	0.3
95.04996	0.5
96.08166	0.8
97.02863	0.4
99.02724	0.5
99.05585	7.1
101.07169	0.4
102.05540	1.3
109.02927	0.5
110.07159	0.9
110.93493	0.3
112.03964	0.6
113.03515	0.3
114.03732	0.5
115.05494	0.4
116.05343	0.6
116.07088	0.7
119.05033	0.4
120.08115	3.9
123.04419	0.3
124.07567	0.4
127.03970	0.4
129.06654	0.4
129.10246	1.8
130.05037	2.1
130.06523	1.7
132.08099	6.2
136.07597	1.9
137.05989	0.4
138.05437	1.4
140.07115	0.4
142.06474	0.6
142.08638	0.3
143.11835	0.6
147.07675	0.4
158.08350	1.6
159.07945	0.6
159.09164	4.2
160.07510	0.3
162.02205	0.6
164.07083	0.4
165.05565	0.5
168.08038	0.6
169.07622	1.7
170.06065	1.8
170.08147	1.8
171.11246	0.3
177.03343	1.0
179.04918	0.7
182.08130	1.0
184.06062	1.1
185.10762	0.7
186.07637	0.4
186.76926	0.3
187.08682	5.9
197.12866	0.3
202.05310	0.4
211.02141	0.5
215.13875	0.6
215.39374	0.3
217.06482	0.7
219.07967	0.7
221.27119	0.3
230.12888	2.5
233.12817	0.6
238.12305	0.4
251.05374	0.5
258.12451	3.4
273.11441	0.3
279.13416	54.8
280.13666	0.6
284.12985	0.6
299.06140	0.7
315.22150	0.4
380.09296	0.4
424.85425	0.4
472.10016	0.4
476.31433	0.5
514.21399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.3
55.01873	2.3
56.05027	1.4
57.03454	3.7
60.04536	1.3
61.02687	0.7
61.02932	8.0
68.05033	0.8
69.03078	1.2
69.03435	16.7
70.06601	7.0
71.04990	1.4
71.54456	1.4
72.08162	1.5
73.01137	2.0
73.02914	2.8
74.00667	1.1
81.03438	5.5
84.04507	4.0
84.08138	5.2
85.02913	87.8
86.09718	5.8
87.04471	1.3
89.03922	4.2
91.03967	5.1
97.02903	27.1
98.06088	0.8
99.04459	3.8
101.02353	1.2
101.53268	0.9
109.02881	7.2
110.07162	1.9
115.06025	0.8
116.05328	0.8
117.03383	13.2
120.08113	2.1
120.64450	0.8
127.03929	26.3
129.10258	4.2
130.05022	1.2
134.03662	1.8
135.04440	1.9
136.07571	0.8
137.05943	1.2
140.06985	0.9
144.06552	2.8
145.02875	38.8
145.04959	39.4
149.06004	6.9
159.47960	0.7
162.07556	1.1
163.03929	3.3
163.06023	11.6
167.05562	0.9
170.08162	1.9
173.09218	1.0
177.05487	100.0
178.05743	1.1
195.06552	59.9
197.09837	0.8
202.57365	0.8
217.06569	0.9
219.08099	1.5
269.25955	0.8
299.06128	1.5
310.17548	1.2
324.13052	0.9
455.11499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01869	1.7
56.05029	1.6
57.03451	5.0
61.01153	0.9
61.02927	8.8
62.23840	1.0
69.03085	1.2
69.03435	17.7
69.21655	7.9
69.22072	2.4
69.37397	1.0
69.76140	0.9
70.06242	1.6
70.06595	17.4
70.06962	1.9
71.04975	2.3
72.08143	3.5
73.01125	1.3
73.02905	3.5
74.06078	2.0
81.03416	7.5
81.99207	1.0
83.01306	1.0
84.04504	4.7
84.08138	7.3
85.02908	100.0
86.09708	6.8
87.04462	2.1
89.03913	5.0
91.03946	5.6
97.02895	26.6
99.04451	3.9
103.03943	1.6
103.05466	2.8
109.02889	8.5
110.07168	1.6
111.69621	1.2
117.03375	13.3
117.43385	0.9
120.08123	10.7
125.06017	1.3
127.03920	27.5
129.10240	3.7
130.06589	1.1
134.03653	1.3
135.04462	2.0
136.07587	1.2
137.05977	4.4
145.02872	41.5
145.04951	55.0
149.05974	7.8
162.05721	1.1
163.03880	2.0
163.06027	20.5
164.07953	1.8
167.05573	1.6
170.08162	1.7
173.09222	9.7
177.05475	95.0
178.05873	1.4
180.08722	2.1
195.06532	44.5
199.07144	2.1
287.05591	1.4
290.42328	1.1
299.05743	1.1
320.15826	1.0
325.11212	2.4
358.71271	1.1
383.85843	1.2
383.90494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41307	0.9
53.03931	1.8
54.71741	0.9
55.01864	2.2
57.03432	4.5
61.02936	8.1
69.03435	16.3
69.89171	5.5
70.06604	6.0
71.04984	2.0
72.08148	3.9
73.02914	3.3
74.06075	1.0
81.03425	7.7
82.01797	1.1
84.04506	2.5
84.08149	3.3
85.02914	100.0
86.09718	5.1
87.04474	2.8
89.03920	2.7
91.03954	4.5
97.02905	27.5
98.20840	1.9
99.04459	4.4
103.03978	0.9
109.02891	8.0
110.07168	2.0
117.03413	9.0
120.08128	1.8
120.48716	1.0
127.03931	27.4
129.10216	2.7
135.04443	1.2
145.02881	33.8
145.04970	39.6
149.06053	5.4
163.03949	1.7
163.06053	15.4
164.13741	1.1
177.05486	82.5
195.06557	55.5
238.08232	1.2
299.06100	1.5
335.29544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.16162	0.5
55.01850	0.7
56.05022	0.6
56.18964	0.4
57.03418	1.1
60.04538	0.6
61.02914	1.4
63.02413	0.5
69.03434	3.5
70.06582	3.7
71.54853	0.8
72.08140	1.4
74.06073	0.8
74.48559	0.5
81.03409	1.0
84.04485	0.7
84.08130	2.9
84.81566	0.5
85.02907	15.6
86.09702	1.8
89.03914	4.8
91.03948	0.7
97.02905	4.7
99.04474	0.7
107.04961	0.7
109.02896	1.2
110.07158	0.7
114.49716	0.5
117.03387	15.0
117.04221	0.7
117.63666	0.5
120.08067	1.4
127.03933	4.4
129.10306	0.5
134.03607	0.8
135.04424	2.2
145.02856	47.2
145.04770	5.8
148.86517	0.6
149.05949	6.4
162.03098	0.9
163.03958	3.5
163.06030	2.7
166.44510	0.5
167.05600	0.7
177.05476	100.0
178.05840	1.0
180.08794	0.9
183.31142	0.6
186.05554	0.9
195.06543	60.0
196.06955	0.8
211.69881	0.5
231.67409	0.5
299.06125	1.8
310.34830	0.5
349.30612	0.6
497.49731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2751
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.05517	5.7
56.73190	1.1
59.04998	1.7
60.55026	1.2
67.05508	13.4
69.03428	9.6
69.07069	9.9
70.69066	1.7
70.69402	2.2
71.05004	2.1
79.05470	2.1
81.07066	13.1
83.04994	5.9
83.08627	5.2
85.02917	9.9
85.06550	2.3
86.09695	2.1
91.03986	1.2
91.05476	2.2
93.07065	7.3
95.04995	1.6
95.08607	30.7
97.02882	2.7
97.10191	2.5
99.08101	3.9
105.07057	4.2
107.08595	18.9
109.02895	1.6
109.06517	8.0
109.10159	88.8
110.10443	1.5
111.08090	3.6
111.11720	1.3
113.09618	1.9
119.08585	37.1
121.10144	11.6
123.08064	11.5
123.11700	6.0
127.03954	3.5
133.09178	0.9
133.10143	20.7
135.11694	100.0
137.09619	12.6
139.11188	2.0
145.04985	2.3
149.13275	6.9
151.11176	7.3
151.14827	10.1
153.12738	2.3
165.16379	2.9
175.13289	2.1
175.14835	43.7
193.15880	70.3
211.16933	90.5
212.17204	1.7
212.60684	1.2
287.05524	17.1
313.46194	1.3
416.15283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1086
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03747	0.1
53.03947	1.6
55.01862	0.5
57.03443	0.7
59.04974	0.2
61.02934	1.4
65.03925	0.2
68.99783	0.8
69.03433	6.2
69.30251	0.4
69.30672	0.8
70.06571	0.4
70.67474	0.1
71.04995	1.3
73.01138	0.2
73.02920	0.2
79.05490	0.4
81.03423	4.0
83.01328	0.4
84.04495	0.2
84.08162	0.2
85.02908	5.6
86.09705	0.6
87.00835	2.5
87.04453	0.4
87.10028	0.2
95.04948	0.1
97.02898	13.7
99.04463	2.3
104.98312	0.6
105.01865	1.3
105.03403	0.3
107.04958	0.4
109.02883	2.5
111.00822	0.8
111.04494	0.1
112.03989	0.1
115.03933	0.3
116.05360	0.3
121.02872	3.0
127.03928	3.7
129.10233	0.2
133.02853	0.5
135.04335	0.2
137.02353	1.0
145.04964	4.9
145.06198	0.3
147.03203	0.2
147.04404	0.8
153.01839	4.8
157.06491	0.6
159.02916	0.2
162.02177	0.2
165.01848	2.0
171.04430	0.3
175.03873	0.1
180.83287	0.1
183.02873	1.1
185.05969	0.6
197.06091	0.3
199.03880	0.2
213.03741	0.2
213.05493	1.9
219.08043	0.2
222.64967	0.1
229.04898	0.3
231.04594	0.2
231.06810	0.8
241.04892	1.0
258.05237	1.3
259.06061	0.6
269.04401	0.2
287.05505	100.0
288.05688	0.9
299.05551	0.4
344.28531	0.1
365.06583	0.2
385.64285	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01873	1.7
57.03445	1.3
58.42842	0.2
61.02924	1.3
68.99793	1.5
69.03430	12.2
69.07069	0.8
70.06601	1.8
70.90023	0.3
70.90339	0.5
71.01347	0.3
71.04988	0.9
72.08140	1.1
73.02935	1.5
81.03423	7.4
83.01344	0.7
84.08147	0.8
85.02909	14.8
85.06591	0.3
86.09708	10.4
87.00832	5.7
87.04439	0.2
87.10043	0.7
91.03960	0.2
93.07053	0.3
97.02895	8.1
99.04456	4.2
101.02401	0.3
105.01871	2.9
107.04973	0.3
109.02892	6.3
110.63891	0.3
111.00814	0.9
115.03885	0.3
115.08683	0.7
117.01855	1.1
120.08104	1.8
121.02876	3.0
121.08419	0.3
127.03924	15.2
129.01840	1.1
129.10239	0.6
133.02811	0.4
137.02335	0.9
137.05998	0.3
143.08162	0.6
145.04970	5.5
147.02896	0.7
147.04280	0.3
153.01848	4.1
159.02905	4.0
165.01880	1.6
166.08624	1.4
183.02905	1.1
185.05943	0.6
185.12933	0.5
199.17990	1.4
207.02779	0.3
213.05525	1.3
227.17560	2.1
231.04985	1.0
231.06856	0.4
237.12491	0.3
241.05009	0.8
258.05258	0.8
259.06085	0.4
287.05502	100.0
288.05795	1.0
298.21216	1.0
341.25269	0.3
342.25436	0.3
369.24814	0.3
430.12683	0.3
444.98395	0.6
505.02930	0.3
515.41046	0.3
553.75531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01857	0.5
55.05518	7.8
56.05046	5.1
57.07085	3.2
58.06596	0.8
60.04526	3.7
65.03950	0.9
65.30930	0.4
65.90860	0.4
67.05511	13.5
68.05019	1.8
69.07072	9.5
70.06590	2.1
70.99679	0.8
71.08620	1.5
79.05061	0.8
79.05499	11.2
80.05029	3.1
81.05793	1.6
81.07060	11.5
82.06586	7.1
83.08625	5.0
84.08152	0.5
85.10192	1.0
91.05486	9.9
93.07053	9.8
94.06573	18.7
95.04968	1.7
95.07357	8.6
95.08614	9.4
96.08131	5.8
97.06507	0.5
97.10176	2.9
98.06078	0.7
105.04508	0.6
105.07036	6.2
107.08598	4.3
108.08110	3.6
109.10177	3.8
110.09744	0.4
111.11710	0.8
113.94688	0.4
116.88703	0.4
119.08591	6.3
121.10154	6.2
122.09703	2.3
123.11689	1.5
133.10162	4.3
135.10468	1.1
135.11687	3.9
136.11218	1.0
137.13284	0.6
147.11716	1.5
149.13271	1.0
151.14816	1.2
161.13239	0.9
163.14841	0.5
171.57043	0.4
175.14755	0.6
190.72078	0.4
191.17896	0.8
192.37711	0.5
193.19482	0.4
204.31732	0.4
219.21060	0.7
233.22643	5.1
234.22211	0.4
245.22641	5.2
250.25323	9.5
254.24858	0.8
262.25317	100.0
263.23447	0.7
263.25824	0.7
272.25900	5.1
280.26352	11.3
303.36472	0.4
354.21902	0.4
368.31396	0.5
504.47787	3.0
516.40436	0.6
516.47821	8.3
518.23114	0.5
534.48877	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	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.05513	18.8
57.03431	4.2
57.07083	10.7
61.02924	3.7
62.82061	1.9
67.05508	84.0
69.03435	8.9
69.06728	2.0
69.07076	25.1
70.25948	6.5
71.04987	3.3
71.08633	7.2
73.02924	4.2
79.05503	29.4
81.03419	7.9
81.07063	100.0
83.04992	3.8
83.08618	22.0
85.02919	11.8
85.06552	4.4
86.09698	2.3
87.04455	2.6
89.06036	6.6
91.05483	22.1
93.07062	31.8
95.04980	2.5
95.08614	75.6
97.02872	5.8
97.06532	7.0
97.10188	12.9
99.04459	4.1
99.08082	3.5
103.03983	2.9
104.10739	5.9
105.07036	18.8
107.08590	20.2
109.10163	38.2
111.08102	3.7
113.09696	3.6
117.07016	3.3
119.08569	14.5
121.10154	22.5
123.08060	2.5
123.11719	17.8
125.09621	3.5
127.03984	2.8
127.11247	2.7
131.08572	5.2
133.08624	4.1
133.10115	17.2
135.11682	15.0
137.09628	3.2
137.13258	8.4
139.11176	2.2
141.12796	4.9
143.08556	3.6
145.04955	2.8
145.10205	2.7
147.11710	11.5
149.13295	11.9
151.11166	2.7
151.14828	7.5
155.14343	3.7
157.10133	2.3
159.11667	2.2
161.13290	15.7
163.14841	14.5
165.12782	2.5
165.16432	7.5
175.14850	8.9
179.17993	8.2
184.07321	5.0
189.16423	6.0
227.20047	20.6
237.23698	2.3
245.22675	54.9
261.22202	2.2
263.23727	70.1
267.60034	1.9
303.23227	2.4
305.24957	2.8
337.27386	27.0
353.24905	3.6
371.25891	12.3
389.26797	11.0
407.28119	9.8
425.28952	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	534.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97648	2.4
53.99255	2.4
55.05518	19.5
57.03441	7.2
57.07075	8.7
60.08163	12.3
61.02935	3.0
67.05513	58.6
69.07072	22.2
69.80373	14.4
71.07380	4.5
71.08618	3.5
72.12675	2.1
77.36363	2.3
79.05488	17.2
79.38552	2.2
81.07064	81.0
83.04984	3.1
83.08621	18.0
85.02910	4.8
86.09713	41.4
91.05487	13.2
93.07054	23.7
95.08615	60.8
97.02921	2.8
97.06568	5.5
97.10172	12.4
99.08099	2.5
104.10756	100.0
105.07028	11.7
107.08607	15.2
109.10160	33.4
111.08119	2.6
119.08601	11.6
121.10136	18.2
123.11720	14.6
124.99976	15.8
125.09660	2.5
133.10097	13.2
133.35608	2.4
135.11722	11.8
137.13281	6.9
147.11710	8.9
149.13333	8.7
151.14830	4.6
155.14333	4.6
161.13313	11.0
163.14835	9.2
165.16411	10.6
175.14854	7.1
179.17969	7.7
184.07356	51.1
245.22668	65.2
263.23718	66.4
271.57938	2.5
281.24799	2.4
294.51868	2.4
337.27362	44.4
355.28464	5.3
355.69873	2.9
475.22250	18.2
534.28894	7.0
534.35931	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	534.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
56.05037	0.6
57.03434	0.4
58.06599	0.6
67.05486	0.4
69.03434	1.8
69.07067	4.5
69.46519	2.7
70.06600	4.9
72.08178	1.8
79.05524	0.5
81.03420	0.9
84.04510	1.6
84.08157	2.6
85.02925	1.9
86.09710	100.0
87.04481	0.4
87.10050	0.6
91.05473	1.3
93.07021	0.8
95.71083	0.4
97.02906	0.9
98.21494	0.8
99.04457	0.6
102.05566	0.4
103.05486	0.7
105.07028	1.2
106.07355	0.4
106.43954	0.4
107.04980	0.4
107.08603	1.1
109.02843	0.6
110.07166	1.2
111.20546	0.4
112.11272	0.9
113.04239	0.7
115.08696	7.5
116.07102	0.5
116.08355	0.4
119.08585	0.4
120.08113	17.6
121.10131	0.6
127.03971	1.8
129.10222	1.2
131.08577	0.6
132.08968	0.6
133.10147	4.2
134.10484	1.8
137.06024	0.7
138.06378	0.4
143.08176	9.1
145.03186	0.4
145.04977	0.5
147.11684	0.4
148.12102	0.6
149.05983	0.8
150.10033	0.4
157.13397	2.8
158.11092	0.4
159.09201	0.8
162.05902	1.7
163.06085	0.5
164.05331	0.4
166.08650	18.4
173.13274	1.1
174.13622	1.4
174.25662	0.4
177.05515	0.6
185.10031	0.4
185.12869	5.2
191.11819	0.5
191.14319	1.7
192.14665	2.1
197.12935	0.4
199.18073	22.8
201.05516	1.3
202.05864	1.2
209.15363	0.5
210.15643	0.8
227.17552	24.7
237.12314	5.7
253.19299	1.2
256.16638	4.6
279.46909	0.4
287.05508	3.0
298.21262	18.4
308.16071	4.6
341.25507	3.5
369.24973	6.1
387.25912	0.4
403.23474	0.9
421.24466	1.2
534.32751	1.2
556.00177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38820	0.6
55.05502	1.6
56.05025	1.5
58.06590	0.9
60.08168	17.6
67.05482	2.1
69.34288	0.6
71.07373	7.8
71.12907	1.3
79.05479	1.2
81.07062	1.6
84.69948	0.6
86.09713	52.0
90.71669	0.6
91.05466	0.8
93.07027	1.5
95.04946	0.7
95.08637	0.8
97.06492	0.6
98.98474	4.0
104.10751	84.8
105.03374	1.2
105.07042	0.8
106.03732	0.6
112.12570	0.5
113.04208	0.6
125.00012	30.6
134.88660	0.5
149.05980	0.8
184.07356	100.0
211.49179	0.6
225.11911	0.6
253.16922	0.5
258.11023	1.2
264.54822	0.5
273.24686	0.6
320.06189	0.5
325.52469	0.7
375.51520	0.6
434.23041	11.7
516.30853	7.2
534.15118	1.1
534.32037	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	534.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.5
55.05506	5.0
56.05025	9.3
58.06592	9.7
58.99572	7.2
61.01139	7.1
68.05025	4.6
69.03432	2.8
69.07065	3.4
70.02938	2.3
70.06595	45.3
72.08159	14.1
73.01149	24.5
74.00275	3.4
74.00668	40.7
74.02458	3.8
74.06082	4.7
76.02238	19.0
76.04013	10.0
80.05017	2.0
81.05759	2.6
81.07053	2.7
82.06573	3.3
83.06086	3.9
83.07379	2.8
84.04507	100.0
84.08154	20.5
85.02922	3.2
85.04041	11.4
86.06077	2.1
86.09710	24.6
88.02225	3.5
88.03978	3.0
91.05461	2.8
92.01709	6.4
94.06667	2.6
96.08138	18.9
99.02694	20.1
99.06920	2.3
101.04225	2.3
102.05563	2.5
104.98317	15.5
107.06131	2.3
107.99419	17.4
110.07162	5.7
112.03988	17.1
112.07594	10.4
113.03460	5.7
114.03757	32.2
116.01671	8.3
116.05327	30.9
116.07110	12.9
120.08121	15.0
124.07595	15.4
126.09145	2.8
129.06604	5.1
129.10242	8.3
130.05008	60.0
131.04512	13.0
132.04781	3.6
133.10135	2.3
139.58336	2.2
140.07056	18.6
142.03194	5.2
142.08641	11.7
144.01134	4.2
145.06110	11.0
148.02512	8.1
155.08165	3.4
160.00635	2.8
162.02209	18.3
163.02495	6.9
164.01993	7.5
169.04549	2.1
170.02733	2.3
170.08139	69.6
174.00435	6.6
177.03294	51.3
179.04860	24.2
181.06119	3.9
185.03761	5.8
186.07602	10.8
188.01945	2.7
199.07138	4.5
199.70042	2.0
202.05389	15.0
211.02061	29.6
213.12373	4.5
217.06435	25.0
218.73286	1.9
219.07982	42.4
229.15570	2.2
229.61816	2.5
231.04239	5.6
235.07495	8.3
245.05855	4.8
249.03593	17.5
251.05209	27.8
258.99020	2.2
259.11224	3.4
267.04691	14.7
273.08920	2.1
274.10449	2.6
283.02393	4.5
288.06387	3.2
290.44656	2.4
301.03540	6.1
305.06152	7.4
306.07538	6.1
307.08621	2.2
308.09094	4.1
321.05725	6.3
341.06400	11.5
348.12271	22.9
364.11676	4.8
380.09470	35.6
395.07660	5.1
396.08881	5.2
459.07291	2.9
470.10806	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
55.05509	1.4
56.05038	1.8
57.09099	1.0
58.06603	4.9
58.99591	7.9
59.96732	1.6
61.01155	15.0
63.94444	2.9
67.05518	1.1
69.07049	1.3
69.37200	2.9
69.37611	8.1
70.06597	8.6
70.99594	2.5
73.01147	100.0
73.66516	1.0
74.00677	2.7
76.02237	10.0
76.03995	1.4
78.96783	21.6
81.07036	1.2
82.06605	1.5
83.08627	2.5
84.04506	29.1
84.08143	2.8
85.11404	1.1
86.09711	3.2
87.02676	1.8
88.03471	1.4
89.04264	1.8
96.08146	4.7
99.02679	14.2
101.02763	1.1
101.04260	3.8
104.98326	92.5
110.93952	21.5
112.03997	7.3
113.04237	5.2
114.05080	1.6
115.05815	4.4
116.01692	5.2
116.05325	23.5
116.07085	7.5
116.98296	1.7
118.99874	16.0
121.01436	44.1
124.07580	3.8
130.05035	7.4
142.03246	2.9
142.08676	2.8
142.36850	1.2
144.01169	2.0
144.49193	1.2
147.02985	35.3
147.11679	1.2
148.02557	1.4
152.98625	30.3
160.00664	2.0
162.02240	5.8
170.08153	19.9
177.03275	3.5
179.00237	5.9
179.04852	11.0
202.05363	20.3
219.08009	37.6
225.03751	1.6
227.00526	15.0
233.05919	2.2
245.05774	1.2
251.05228	3.2
268.48038	1.5
270.96051	1.3
273.09058	3.2
303.29004	1.2
308.09113	2.4
348.12320	10.7
380.09503	1.5
460.66864	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01862	1.5
55.05522	1.9
56.05030	1.5
57.03429	1.0
57.07048	1.1
61.02916	1.8
67.05500	2.1
69.03434	8.3
69.07055	2.7
70.06598	12.9
70.73656	2.5
71.04981	2.1
72.08163	5.1
79.05482	2.2
81.03423	7.0
81.07042	3.2
84.04485	2.4
84.08145	5.7
85.02431	1.3
85.02908	17.3
86.09710	9.2
91.03951	0.9
91.05482	2.0
93.07041	2.4
95.04964	3.9
95.08606	4.1
97.02918	5.5
97.06540	1.3
99.04442	2.5
105.07023	2.9
107.08605	7.0
109.02864	2.8
109.06521	3.4
109.10159	2.4
110.07132	2.3
116.07122	1.0
119.08599	1.8
120.08104	3.8
121.10148	7.5
123.08049	3.4
123.11697	2.6
127.03923	4.9
129.10214	2.6
131.08534	1.7
133.10120	3.1
135.08031	1.9
136.07576	1.5
137.06030	1.3
137.09645	5.0
137.13245	1.1
145.04994	4.6
147.11681	2.4
149.09644	6.8
149.13240	3.6
151.11194	9.5
159.09138	1.0
162.05811	0.9
163.11177	1.1
163.14767	1.3
165.12766	39.5
167.07022	3.7
173.13258	1.8
175.07520	1.3
191.14323	8.2
193.15936	1.5
201.05486	1.6
209.15376	100.0
210.15729	2.1
227.16383	1.3
371.20688	1.6
533.18365	1.2
548.73364	0.9
551.37476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.05527	4.7
55.43758	2.1
57.03450	2.7
58.06609	3.1
61.02951	2.5
65.85233	1.8
67.05520	5.1
67.92593	1.9
69.03427	13.0
69.07076	10.0
69.73476	10.2
70.06589	11.4
71.04984	5.9
73.01136	3.0
74.40404	2.0
79.05518	5.8
81.03420	6.2
81.07047	13.8
81.98272	1.9
83.04994	12.0
83.08622	2.8
84.04505	3.5
84.08145	6.3
85.02911	25.5
85.06542	3.9
86.09709	14.0
91.05479	9.2
93.07049	12.5
95.04997	4.7
95.08602	17.4
97.02891	9.1
97.03452	2.0
97.06517	4.7
98.02457	2.4
99.04449	5.5
99.08085	5.9
103.05474	2.2
103.17410	2.1
105.07037	20.5
107.08595	27.6
109.02897	3.9
109.06531	9.7
109.10162	15.2
110.07144	2.2
115.05444	2.5
116.07134	2.2
119.08575	7.6
120.08120	4.5
121.06531	5.0
121.10134	24.2
123.08085	4.9
123.11694	5.0
124.06522	2.0
125.09679	11.3
127.03928	7.2
129.06987	3.2
129.10263	3.0
131.08600	11.6
133.10139	59.7
135.08083	10.8
135.11678	5.6
137.05994	9.9
137.09607	3.9
139.11186	5.6
145.03162	2.4
145.04962	5.4
145.06480	2.3
145.10130	7.9
147.11725	13.0
149.09604	10.6
149.13258	16.8
151.11183	67.9
158.03659	2.9
158.10945	5.7
161.05963	3.0
162.05849	8.1
163.06133	4.8
163.07742	2.3
163.11255	2.5
163.14836	16.7
165.12785	5.2
167.07082	6.2
167.10585	3.5
173.06049	2.6
173.13275	44.0
186.03246	2.8
191.14316	91.1
201.05492	41.1
201.07195	3.7
209.15376	100.0
209.17369	4.9
213.05426	2.3
215.05745	2.6
227.12679	2.9
227.16440	3.0
231.06586	2.8
408.98880	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	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
55.05505	8.7
57.03443	6.1
67.05486	9.6
69.03421	15.7
69.07057	13.2
69.30878	5.4
69.31282	30.9
70.06592	41.7
71.05023	8.1
72.08144	15.7
79.05508	8.7
79.14722	3.5
81.03412	9.6
81.07064	22.1
83.04988	6.9
83.08599	7.8
84.04500	9.0
84.08140	17.1
85.02915	36.7
85.06532	9.5
86.09700	32.2
91.05483	18.2
93.07053	25.3
94.54194	3.5
95.04973	9.2
95.08615	25.3
97.02901	17.4
97.06549	9.6
99.04455	21.7
99.08092	17.7
103.03952	33.4
105.07028	17.6
107.04933	6.9
107.08599	47.1
109.02851	9.0
109.06519	12.9
109.10146	19.0
110.07143	6.6
111.08104	7.2
119.08557	8.4
120.08086	18.8
121.06509	22.1
121.10146	44.5
123.08092	26.4
125.09634	9.1
127.03922	41.2
129.10251	12.2
131.08557	16.4
133.10118	33.0
135.08107	19.0
135.11690	8.2
136.07518	6.2
137.06024	4.6
137.09608	7.8
139.11163	5.0
145.04980	22.5
145.10132	3.8
147.11725	9.9
149.09631	85.4
149.13266	20.1
151.11191	27.1
163.05984	9.8
163.11168	7.5
163.14847	32.7
167.10602	7.3
173.13252	32.2
191.10722	4.5
191.14310	80.7
209.11893	3.5
209.13464	6.4
209.15376	100.0
218.80348	3.9
227.12737	4.6
285.07507	5.5
378.69360	3.7
533.18768	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	532.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01871	0.7
55.05521	2.6
55.45726	0.5
56.05020	1.1
57.03429	2.4
57.07056	0.6
60.04525	1.2
60.25564	0.5
61.02927	2.4
67.05511	2.5
68.05013	0.7
69.03079	0.7
69.03434	8.8
69.07082	2.5
69.21487	4.1
70.06597	8.6
71.04979	2.0
72.08160	16.0
73.02911	1.8
74.06074	1.6
76.65869	0.4
79.05492	1.4
80.66553	0.5
81.03416	2.8
81.07048	1.8
82.06570	1.0
82.93074	0.4
83.04956	0.5
83.06103	0.5
83.08612	1.3
84.04511	2.3
84.08152	3.6
85.02434	0.8
85.02911	13.2
85.08504	0.5
86.09710	16.4
87.04472	2.4
87.10053	0.5
88.02204	0.5
88.04004	2.4
88.35138	0.5
91.03963	1.5
91.05471	2.5
93.07049	3.7
95.08605	3.6
97.02904	6.2
99.04482	0.9
101.02427	0.6
102.05527	1.5
105.07040	2.9
107.08598	4.8
108.08122	1.9
109.02868	1.8
109.06518	0.6
109.10152	4.1
110.07172	1.2
115.55012	0.6
116.07099	0.7
119.08591	7.2
120.08107	2.3
121.10154	2.7
122.09653	1.0
123.08085	1.3
123.11717	1.5
127.03922	3.6
127.11186	0.6
129.06537	0.5
129.10248	2.2
131.08492	0.9
132.08127	1.8
133.10136	6.9
134.09625	2.0
135.11690	9.1
136.07567	0.8
137.09625	1.3
138.05559	0.8
141.10194	0.7
143.11795	2.3
144.08224	0.5
145.04971	1.6
145.08839	1.6
145.10033	1.1
146.09656	7.4
147.11700	1.1
148.06035	1.3
149.13248	1.3
151.11238	0.9
151.14766	0.7
153.12769	1.3
154.08650	1.2
155.08197	0.6
157.13356	1.3
159.10364	1.2
159.11528	1.3
160.11212	6.3
161.12022	0.6
162.12831	0.7
171.11339	1.4
171.14868	1.4
172.11192	0.6
174.12807	4.8
175.14853	4.9
176.14368	0.9
178.12273	0.6
180.10147	0.7
185.12834	1.1
186.12822	0.6
187.14375	0.8
189.08794	0.8
192.10208	6.2
192.17529	1.4
193.15881	0.8
199.14578	0.6
201.12379	1.8
206.11800	1.7
207.12561	3.5
213.12442	1.0
215.13924	1.1
216.17499	11.2
220.13348	5.8
234.18524	3.0
247.12907	1.8
249.10948	0.7
262.18036	16.9
268.16568	1.5
280.19089	61.9
281.19354	0.5
286.13992	1.2
286.17703	0.9
343.99493	0.5
357.25150	0.6
385.24414	0.8
442.24384	100.0
443.24771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61264	1.9
53.03937	3.2
55.01865	2.4
55.05508	8.6
56.05027	5.9
57.03437	3.4
57.07074	2.9
58.45374	2.1
59.58704	2.1
60.04525	3.0
65.03949	2.1
67.05508	23.1
69.03432	17.8
69.07068	4.9
69.40610	5.8
69.41025	12.8
70.06598	32.1
71.04974	2.5
71.06902	2.3
72.08159	24.4
74.06068	7.4
79.05500	3.8
81.03422	16.5
81.07051	5.6
83.04973	5.2
83.06126	3.4
84.04509	7.1
84.08149	23.8
84.46632	1.9
85.02912	34.7
85.06562	15.8
86.09717	38.0
87.10023	3.6
91.05499	7.7
93.07053	12.6
95.01331	3.0
95.04950	5.9
95.08614	100.0
97.02884	11.0
97.06519	3.1
99.04459	16.1
102.05521	3.2
103.03943	30.1
103.05436	2.5
104.05321	2.7
105.07050	11.3
107.08581	13.5
109.02881	12.3
109.06528	3.8
109.10165	3.3
110.07159	4.8
113.06004	14.5
114.05470	2.2
119.08573	21.4
120.08101	5.5
121.06572	3.2
121.10149	6.5
122.18815	2.6
122.25596	2.2
123.04421	2.6
123.08086	42.2
123.11696	4.7
125.05957	4.2
126.02490	3.1
127.03069	3.9
127.03922	39.5
128.10701	2.3
129.10265	11.7
130.05038	2.5
131.08586	2.4
133.10146	3.1
135.11662	18.5
137.09625	3.2
145.04953	21.8
147.11703	7.9
149.09633	33.7
151.07549	3.3
151.14825	7.1
153.05478	3.9
154.05878	2.2
159.09193	3.2
161.13231	14.7
163.06073	13.0
163.11165	10.1
165.12758	7.9
173.12881	2.9
179.14346	5.0
184.33913	2.2
185.09824	4.5
186.10217	3.4
189.12764	19.2
199.08607	2.4
207.06519	4.7
207.13814	86.1
208.14166	2.5
211.08887	3.4
215.05571	5.4
225.06667	6.2
239.08093	9.5
253.09782	6.3
255.07788	3.5
267.07617	4.9
281.09253	6.6
289.09460	2.7
309.08673	10.7
311.10327	3.1
327.09833	13.0
329.11200	3.2
337.08194	5.5
345.10876	10.6
355.09238	3.0
369.10834	4.7
373.10269	7.7
387.11813	3.5
453.12677	3.3
481.12323	7.3
499.13406	9.8
531.16553	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16156	1.1
53.03936	2.2
53.37848	1.1
55.01867	4.1
55.05498	2.7
56.05030	1.3
57.03435	3.1
57.07078	1.4
58.99587	7.0
59.04999	1.4
61.01151	2.3
65.03935	2.2
67.01855	3.6
67.05511	7.9
69.03430	11.8
69.07067	13.6
70.06598	16.2
71.01337	1.6
71.04983	4.2
71.08641	1.6
71.55122	1.3
71.55465	1.4
72.08150	4.3
73.01115	3.9
73.02933	7.4
79.05495	9.2
81.03408	3.8
81.07042	5.4
81.07466	1.2
82.87982	1.1
83.01340	2.7
83.04954	2.0
83.08611	1.4
84.04496	2.8
84.08132	5.1
85.02909	15.8
85.06537	2.2
86.09700	9.1
87.02675	1.5
87.04459	3.0
90.01396	1.9
91.05476	3.5
93.07043	2.2
95.01343	12.3
95.04971	5.0
95.08604	2.6
96.05776	2.6
97.02900	18.8
97.06535	15.1
99.02682	9.6
99.04402	1.5
101.04250	17.2
104.98327	3.6
105.07038	3.9
107.04951	2.9
107.08587	3.9
109.02898	11.3
109.03605	1.7
109.10164	3.3
111.02657	5.1
111.04436	4.5
112.03451	11.5
113.04239	45.1
113.05994	2.3
114.05009	2.3
115.02153	2.3
115.03918	1.7
115.08633	1.1
116.07082	3.3
119.03410	1.6
119.08576	1.7
120.08099	3.9
121.10091	1.5
123.00806	2.8
123.04439	6.3
124.01594	3.4
125.02361	100.0
125.06006	6.7
127.02151	2.7
127.03919	6.4
129.03717	9.6
129.05438	1.9
129.10260	4.2
130.04489	10.5
131.05312	10.4
131.08522	1.7
133.01393	6.1
133.10117	1.8
135.04431	3.3
136.07603	1.5
136.95459	3.2
137.02348	5.4
139.03853	1.6
141.05453	14.3
142.99786	2.1
143.03394	5.2
143.08490	1.5
145.01418	21.1
145.03148	1.5
145.05013	1.4
145.10121	1.7
147.11697	1.8
151.03876	6.4
153.05441	10.2
154.96509	1.5
155.03394	5.4
157.04974	89.4
159.06535	8.0
159.11662	1.8
161.00899	2.9
161.09575	1.4
163.02475	4.2
169.04993	14.0
171.02853	3.1
171.11563	1.3
176.98607	3.5
177.99359	2.1
179.03435	4.3
182.10457	1.3
185.04420	1.8
185.60645	1.3
187.06001	5.6
193.05019	7.0
194.99698	23.1
197.04457	37.0
207.06528	1.6
207.13846	2.5
211.05934	3.4
215.05530	7.8
225.02142	1.9
229.07112	38.6
251.02147	2.4
265.18198	1.4
285.01004	10.7
360.71078	1.3
366.32205	1.9
389.13153	2.4
512.38519	1.3
513.20917	1.6
531.21423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01871	1.4
55.05507	1.5
57.03447	4.4
58.99366	0.8
58.99593	7.8
61.01166	4.2
62.36481	0.8
62.99070	0.9
65.03945	1.8
67.05515	4.9
67.76646	0.8
69.03436	25.7
69.07079	16.1
70.06595	1.3
70.21281	2.0
70.83775	0.8
71.95689	0.7
73.01150	8.2
75.02641	1.0
79.05502	10.2
81.07061	1.4
83.04986	1.3
85.01154	1.4
85.02429	1.8
85.02914	29.1
85.06545	1.2
86.09711	0.9
87.02701	0.9
87.04505	0.9
89.00591	1.0
90.01399	3.8
95.01339	46.8
95.04988	5.1
95.73277	0.7
96.05755	2.0
97.01114	2.0
97.02876	0.9
97.06545	21.0
99.02714	4.5
101.04252	13.2
102.96751	1.8
103.03927	1.5
103.97549	1.3
104.98331	5.2
107.04974	1.3
107.08681	0.8
109.02863	0.8
111.02667	6.0
112.03471	5.2
113.02406	2.4
113.04243	100.0
113.05953	2.7
114.05010	2.4
115.02172	2.9
115.05813	1.5
115.07574	1.8
116.98326	2.1
122.99342	1.1
123.04428	1.2
125.06004	33.8
127.03925	2.3
129.03709	13.5
130.04514	12.0
130.99883	1.1
131.05281	54.8
133.01454	1.9
136.95485	5.5
141.05478	2.4
142.99834	3.3
143.07069	2.5
144.00621	5.6
145.01436	2.2
151.03882	1.2
153.05486	39.3
154.96564	1.4
155.57483	1.1
161.00909	2.9
162.01624	1.5
163.02499	2.0
164.98613	1.2
174.97180	1.0
176.98604	2.1
179.03423	1.0
185.09789	1.0
186.93770	1.5
187.06105	1.3
192.98137	1.1
194.99710	3.9
197.04556	2.2
198.17905	0.9
212.94336	0.8
215.05528	29.6
226.96889	34.2
283.39008	0.8
299.17416	0.8
309.77322	0.8
316.98303	7.3
374.74506	1.0
441.01688	2.2
443.44839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16156	1.1
53.03936	2.2
53.37848	1.1
55.01867	4.1
55.05498	2.7
56.05030	1.3
57.03435	3.1
57.07078	1.4
58.99587	7.0
59.04999	1.4
61.01151	2.3
65.03935	2.2
67.01855	3.6
67.05511	7.9
69.03430	11.8
69.07067	13.6
70.06598	16.2
71.01337	1.6
71.04983	4.2
71.08641	1.6
71.55122	1.3
71.55465	1.4
72.08150	4.3
73.01115	3.9
73.02933	7.4
79.05495	9.2
81.03408	3.8
81.07042	5.4
81.07466	1.2
82.87982	1.1
83.01340	2.7
83.04954	2.0
83.08611	1.4
84.04496	2.8
84.08132	5.1
85.02909	15.8
85.06537	2.2
86.09700	9.1
87.02675	1.5
87.04459	3.0
90.01396	1.9
91.05476	3.5
93.07043	2.2
95.01343	12.3
95.04971	5.0
95.08604	2.6
96.05776	2.6
97.02900	18.8
97.06535	15.1
99.02682	9.6
99.04402	1.5
101.04250	17.2
104.98327	3.6
105.07038	3.9
107.04951	2.9
107.08587	3.9
109.02898	11.3
109.03605	1.7
109.10164	3.3
111.02657	5.1
111.04436	4.5
112.03451	11.5
113.04239	45.1
113.05994	2.3
114.05009	2.3
115.02153	2.3
115.03918	1.7
115.08633	1.1
116.07082	3.3
119.03410	1.6
119.08576	1.7
120.08099	3.9
121.10091	1.5
123.00806	2.8
123.04439	6.3
124.01594	3.4
125.02361	100.0
125.06006	6.7
127.02151	2.7
127.03919	6.4
129.03717	9.6
129.05438	1.9
129.10260	4.2
130.04489	10.5
131.05312	10.4
131.08522	1.7
133.01393	6.1
133.10117	1.8
135.04431	3.3
136.07603	1.5
136.95459	3.2
137.02348	5.4
139.03853	1.6
141.05453	14.3
142.99786	2.1
143.03394	5.2
143.08490	1.5
145.01418	21.1
145.03148	1.5
145.05013	1.4
145.10121	1.7
147.11697	1.8
151.03876	6.4
153.05441	10.2
154.96509	1.5
155.03394	5.4
157.04974	89.4
159.06535	8.0
159.11662	1.8
161.00899	2.9
161.09575	1.4
163.02475	4.2
169.04993	14.0
171.02853	3.1
171.11563	1.3
176.98607	3.5
177.99359	2.1
179.03435	4.3
182.10457	1.3
185.04420	1.8
185.60645	1.3
187.06001	5.6
193.05019	7.0
194.99698	23.1
197.04457	37.0
207.06528	1.6
207.13846	2.5
211.05934	3.4
215.05530	7.8
225.02142	1.9
229.07112	38.6
251.02147	2.4
265.18198	1.4
285.01004	10.7
360.71078	1.3
366.32205	1.9
389.13153	2.4
512.38519	1.3
513.20917	1.6
531.21423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08257	2.7
51.37337	2.8
53.04862	3.3
55.05508	13.5
57.03434	13.6
57.07086	43.8
67.05507	53.9
68.11354	3.2
69.07076	22.6
70.95938	7.9
71.05001	6.3
71.08650	24.6
79.05491	6.1
81.07066	92.0
83.08623	14.5
85.06541	14.8
85.10178	9.7
87.04475	37.4
89.04009	3.3
91.05478	5.2
93.07067	4.2
95.08616	91.4
105.07056	8.9
107.08572	3.0
109.10178	6.8
119.08598	8.9
123.11721	9.9
137.13335	7.4
147.11711	14.0
165.12726	9.0
183.13919	4.8
201.14935	4.6
257.17511	100.0
313.27383	88.3
441.45459	3.6
460.38684	3.3
495.40466	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35704	0.2
55.05515	3.0
55.81380	0.2
56.05045	0.8
57.05819	0.8
61.02910	0.4
62.62066	0.3
67.05502	0.3
69.03432	1.0
69.06717	0.5
69.07072	6.7
70.06597	4.9
70.69217	0.2
72.08157	31.5
73.02908	0.4
74.06080	0.9
79.05492	0.5
81.03426	0.5
83.06126	0.3
84.04508	1.3
84.08146	1.9
85.02908	1.6
86.09709	100.0
87.04494	0.3
87.10034	0.7
88.03986	0.6
91.05495	1.0
93.07058	0.8
95.04980	0.3
97.02896	0.5
102.05563	0.8
105.07041	1.0
107.08607	1.0
108.08162	0.4
110.07170	0.8
112.08727	0.4
113.19815	0.3
114.09156	0.3
116.03442	0.5
116.07101	0.7
118.06570	0.4
119.08591	0.7
120.08111	0.5
121.10136	0.9
125.06022	0.6
127.03940	0.4
128.10695	0.4
129.10275	1.0
130.06508	0.3
131.07318	0.3
131.08572	1.7
131.09412	0.3
133.10170	0.9
134.04488	2.8
135.07997	0.3
136.07593	0.5
138.05457	0.4
143.08527	0.5
145.10120	0.5
146.09666	1.4
147.11639	0.3
149.05980	0.3
149.13251	0.7
153.05469	0.4
157.13364	6.4
158.09657	1.5
158.10864	0.4
159.10332	0.5
160.11223	2.8
164.10677	0.6
171.11388	0.5
172.11223	0.7
173.13252	2.3
174.12817	0.6
176.10928	0.3
178.08548	0.4
181.04897	0.8
183.11339	0.3
184.11287	0.4
185.10168	0.5
185.12891	14.6
185.16492	27.2
186.12502	0.3
186.17068	0.3
189.03349	0.3
190.08711	0.6
192.10216	1.6
199.18098	1.4
200.14099	0.4
201.12346	0.5
204.10159	0.7
205.08200	6.0
206.11797	0.8
213.15987	31.9
214.15910	3.0
218.11905	0.3
227.17610	1.0
232.17043	0.5
239.17545	0.7
260.16489	5.6
274.10522	0.3
278.17538	7.6
280.30658	0.3
281.22223	2.2
284.19733	1.7
298.21353	1.0
318.12878	0.5
318.16626	10.4
326.20856	0.5
326.24362	11.4
368.20786	1.1
369.28690	1.2
397.28156	3.1
412.19818	0.3
440.22775	15.3
441.23297	0.3
530.25830	0.5
530.32428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
56.05027	1.0
57.98787	0.5
58.06604	2.6
58.88630	0.4
58.99570	2.1
59.96738	0.5
61.01145	1.1
65.03955	0.5
67.05528	0.6
67.82204	0.4
70.06587	1.5
70.19160	1.0
70.19550	1.0
73.01146	100.0
73.59277	0.4
74.02450	1.1
76.02232	4.5
76.04042	0.5
81.07040	0.6
84.04510	15.7
84.05019	0.8
84.08119	0.7
85.02917	0.4
86.09740	0.4
87.02744	0.5
96.08135	3.1
98.17034	0.5
99.02679	9.0
101.04243	1.2
104.98328	3.4
106.97890	2.8
106.99868	3.1
112.03976	4.3
113.07403	0.4
115.05804	1.4
116.01685	2.6
116.05322	13.9
116.07094	3.9
123.16505	0.4
124.07643	2.4
126.09180	0.5
130.05013	1.7
142.03207	1.0
142.08632	1.8
144.01140	0.7
147.02975	2.9
148.03326	0.6
149.02571	2.8
149.04549	69.4
156.33629	0.4
160.00638	0.4
162.02237	2.5
170.08130	13.2
179.04887	4.8
197.41368	0.4
202.05338	9.7
219.07999	18.4
220.08286	0.4
223.04520	0.6
223.06465	8.7
229.06285	0.8
231.61348	0.4
245.05960	0.6
245.09587	1.3
273.09116	2.7
291.06409	0.7
308.09183	0.7
330.11087	0.6
348.12292	7.4
488.92181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05907	1.9
58.26468	2.3
65.94442	2.0
70.06602	5.7
71.54355	2.2
73.58257	1.8
76.55310	1.9
85.02912	3.7
86.09653	2.5
118.06554	21.6
130.06561	3.2
132.08099	4.5
142.06557	2.2
143.07280	3.8
144.08061	10.3
146.06018	63.2
159.09206	4.6
169.45476	2.1
170.06085	5.3
188.07080	100.0
205.09737	41.6
205.35713	2.0
315.77328	2.0
414.27310	2.3
445.23578	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.5
56.50532	1.6
57.03442	2.2
66.48601	1.7
67.05518	15.8
69.07067	5.3
71.55379	1.8
79.05507	13.0
81.07070	15.6
83.08630	2.4
91.05492	6.6
93.07037	15.5
95.08612	11.2
105.07047	4.3
107.08603	6.8
113.04234	3.1
115.03730	3.1
117.07047	2.2
119.08606	2.9
120.96678	1.7
121.10157	5.3
123.11726	2.3
131.08601	2.9
133.10139	3.5
145.10136	1.9
167.59425	1.7
174.98561	2.3
176.99265	23.1
194.98557	2.6
195.00330	53.6
200.94843	1.5
213.00233	2.9
269.03992	5.0
335.25803	9.4
375.25064	5.6
391.50729	2.0
436.26031	1.8
437.20624	10.3
455.20892	6.0
457.49701	1.6
511.24255	9.1
529.25378	100.0
529.38489	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	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03950	4.6
55.01875	2.3
55.05513	19.2
57.03435	4.5
57.07075	6.0
65.03943	4.2
67.05511	69.4
69.07072	20.1
69.66884	6.8
69.67304	2.5
70.06592	1.4
71.05000	4.1
71.08639	2.4
72.04839	1.6
79.05501	59.2
81.03436	1.9
81.07063	71.9
83.04993	5.4
83.08208	1.6
83.08643	13.2
85.06544	3.2
87.04473	5.1
88.07624	2.0
91.04900	1.8
91.05486	36.7
93.07051	64.9
95.05006	7.7
95.08614	39.6
97.06536	8.0
97.10168	3.2
97.60432	1.3
99.08106	1.7
101.70596	1.4
105.04552	1.6
105.07040	23.9
107.08599	35.1
107.09289	2.2
109.06517	1.6
109.10159	12.2
111.08122	3.3
113.09694	1.9
115.05468	2.4
117.07011	11.9
119.08595	17.1
121.06503	1.7
121.10150	27.0
123.08049	1.8
123.11720	3.9
129.07043	3.8
130.07776	2.0
131.08586	16.4
133.10155	13.3
135.08069	1.4
135.11708	12.7
139.11147	1.5
141.07065	1.4
143.08566	3.8
145.10139	9.6
147.11708	7.9
149.13277	27.2
155.08583	2.2
157.10158	4.9
159.11714	15.8
161.13316	3.0
169.10191	2.3
171.11714	2.9
171.20886	1.4
173.13251	7.0
175.14876	2.4
177.12785	4.5
183.11780	2.7
185.13304	2.4
187.14836	2.6
195.11859	1.6
195.13881	6.2
197.13420	2.2
198.97504	2.1
199.14886	2.9
243.21181	1.6
256.26361	14.0
261.22232	4.5
275.99161	1.4
281.22672	1.3
419.33328	2.4
437.20465	3.2
437.34390	6.2
500.35568	1.5
511.37823	3.1
529.38928	100.0
552.58319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03943	5.6
55.01865	1.5
55.05517	17.5
57.03186	0.7
57.03434	4.7
57.07067	3.0
61.58852	0.6
63.09735	0.6
65.03936	2.9
67.05508	65.5
69.03426	1.3
69.06723	1.3
69.07075	19.8
69.61680	1.7
69.62095	3.7
71.04984	3.3
71.08623	1.0
77.03926	1.3
78.78050	0.7
79.05499	53.0
81.03388	1.0
81.07063	74.6
83.04996	4.8
83.08620	9.8
85.06537	3.1
87.04438	0.7
91.05489	34.4
93.07050	63.8
95.04972	8.5
95.08614	35.5
97.06538	8.6
97.10175	2.9
98.20766	0.9
99.08101	3.1
105.04524	2.0
105.07037	20.4
107.04987	0.8
107.08604	33.7
109.06525	2.1
109.10166	12.9
111.08073	4.9
117.07030	11.5
119.08589	13.1
121.06525	1.5
121.10149	27.4
123.08076	1.4
123.11697	2.1
123.47047	0.7
125.09583	1.3
129.07053	3.3
130.07796	0.7
131.08578	19.0
133.10132	14.1
133.11089	1.2
135.08075	1.6
135.11705	14.2
139.11194	1.3
141.07074	0.7
142.07785	1.2
143.08583	2.6
145.10130	10.3
147.11702	6.0
149.09570	1.1
149.13261	25.7
151.11220	1.2
155.08551	1.4
157.10141	4.1
159.11710	16.3
161.13268	3.5
161.14500	0.8
163.11115	1.1
163.14879	1.6
169.10120	1.8
171.11748	3.9
173.13275	7.0
175.14880	2.6
177.12749	3.9
181.10175	0.9
183.11705	1.3
185.13277	2.7
187.11322	0.8
187.14856	3.0
189.16249	1.0
195.13820	6.3
197.13263	1.8
199.14853	1.3
201.16324	0.9
211.14857	1.1
213.16516	1.4
243.21117	1.1
252.06580	1.0
261.22220	6.4
271.20596	0.8
299.23770	0.9
317.24814	1.4
379.19034	0.8
419.33331	1.0
437.34320	5.9
455.35098	2.1
473.36313	1.4
511.37595	2.0
521.47235	0.9
529.38898	100.0
530.39166	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
58.06608	1.8
58.54459	0.4
58.99590	1.5
59.96730	0.8
65.03938	0.6
67.05511	0.4
68.05036	0.3
69.83529	2.0
70.06593	1.6
73.01147	100.0
74.02421	0.4
75.02709	0.5
76.02229	2.8
78.96756	0.5
81.07053	0.5
82.06574	0.6
84.04511	11.3
90.17294	0.3
93.44884	0.3
96.08139	2.0
98.21452	0.5
99.02677	7.6
101.04241	0.5
106.99899	2.8
112.03978	3.6
115.05786	0.7
116.01704	2.3
116.05327	10.3
116.06165	0.6
116.07077	2.2
117.07369	1.6
124.07597	1.5
126.09257	0.4
130.04990	2.0
142.03218	0.8
142.08662	1.5
144.01118	0.9
144.04738	0.7
149.04550	67.5
160.00658	0.6
162.02252	2.1
170.08144	10.5
179.04849	4.4
182.06372	0.8
202.05327	7.3
219.07999	12.3
223.06444	8.0
223.08499	0.7
245.09549	1.1
249.97910	0.4
273.09012	2.3
291.06277	0.5
308.09180	0.8
330.11099	0.6
346.33170	0.4
348.12241	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	529.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01864	1.6
57.03441	4.9
60.08167	2.5
60.84230	1.1
61.02939	5.5
69.03434	17.9
70.06599	12.8
70.57221	1.1
70.62722	2.1
70.63068	2.0
71.01382	1.6
71.04992	4.0
71.82153	1.0
72.08157	6.9
73.02912	3.6
81.03426	8.0
84.04530	2.6
84.08164	6.1
85.02914	24.0
86.09716	10.1
87.04465	3.7
90.30928	1.1
91.05484	1.5
97.02922	9.4
98.19519	1.3
98.97594	2.1
99.04462	4.5
101.02462	1.0
101.07146	1.3
109.02878	3.0
110.07201	1.8
118.06548	1.4
119.04953	3.5
120.08115	2.9
126.02502	3.9
127.03013	1.2
127.03958	4.0
129.10265	2.8
136.07600	1.2
137.98886	1.1
145.07657	6.2
147.04408	9.4
147.09172	16.3
159.09209	7.6
160.09988	2.5
173.07202	1.8
175.08708	1.5
185.09698	12.5
186.10100	7.1
187.08821	1.4
187.12474	1.5
191.08179	90.7
197.10762	1.6
199.12355	1.4
213.10277	1.5
215.11870	1.8
216.07726	15.2
225.10321	1.9
225.12593	1.2
229.08858	4.3
230.09155	1.9
233.12834	1.1
243.17055	1.4
257.04587	1.5
263.13925	11.3
287.05609	5.7
289.11899	6.7
307.12903	76.7
350.13489	100.0
351.13974	1.6
361.02380	4.0
379.03577	1.6
389.06937	8.5
389.57013	2.8
398.07397	1.4
421.13120	1.7
443.13651	2.6
512.18817	98.4
529.11353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05504	2.8
56.05045	0.8
58.06614	4.9
58.99588	20.4
61.01155	21.2
66.90304	0.9
67.05500	1.8
69.07059	3.1
70.06587	2.9
70.99580	1.8
71.25987	1.4
71.26324	0.8
73.01141	18.5
74.00661	2.8
74.02457	0.9
76.02227	10.1
79.05499	6.4
81.07063	20.2
83.08618	6.3
84.04511	29.6
84.08169	1.1
85.01142	1.0
86.99066	1.3
87.02698	8.3
89.06406	0.8
96.08150	5.9
99.02676	14.3
101.04243	8.8
104.98321	74.7
112.03969	7.2
113.04240	9.7
114.05009	0.9
115.05795	30.0
116.01684	4.0
116.05325	23.0
116.07079	5.8
124.07610	5.9
126.09205	1.1
129.06619	1.1
130.05013	5.8
140.19298	0.9
142.03238	2.4
142.08655	3.2
144.01096	1.7
144.04797	1.2
147.02979	100.0
148.02432	1.3
150.97029	2.3
162.02240	5.1
170.08144	27.5
177.03316	2.7
179.04857	13.4
182.06435	1.6
202.05341	17.7
211.02023	1.5
219.08005	36.4
221.04877	6.4
229.06422	1.0
245.05940	1.4
245.09578	1.4
251.05196	4.7
252.11018	0.8
259.11310	0.8
273.09082	4.6
285.04108	1.0
305.06287	1.2
308.08987	1.8
330.10938	0.8
339.05026	1.1
348.12216	13.9
380.09503	3.1
414.08398	1.1
417.66629	0.8
451.64282	0.8
454.11578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
55.63581	0.3
56.05040	0.6
58.06601	0.9
60.04527	2.7
60.08175	2.2
68.05030	0.7
68.64387	0.3
69.03447	0.4
69.07070	0.4
70.02921	0.4
70.06594	100.0
71.06909	0.6
71.55576	0.5
72.08158	15.8
74.73564	0.3
81.07053	0.4
84.04501	1.1
84.08130	1.5
85.02910	0.8
86.09708	20.3
87.05579	0.4
87.55650	0.3
91.05460	0.4
92.66164	0.3
95.99060	0.3
96.77680	0.3
98.06043	0.4
99.01416	0.8
99.02670	0.4
102.05569	0.6
109.07689	0.3
110.07163	0.8
111.02659	0.6
112.07629	0.5
116.07101	1.6
119.04922	0.5
120.08109	1.1
124.07629	0.4
125.01703	0.7
126.02489	4.5
126.09116	0.4
127.03238	0.6
129.10284	1.4
132.10202	3.2
132.95833	0.4
136.07564	0.6
139.08734	0.8
140.07080	0.5
143.02715	0.4
143.11835	1.6
147.04466	0.3
152.00426	0.3
155.08237	0.4
157.09726	11.2
167.08174	1.2
167.39615	0.4
170.01488	0.4
170.07480	0.8
171.11285	0.9
173.12856	2.1
183.14896	0.3
185.09720	18.5
185.16476	4.3
186.10364	0.5
197.12671	0.3
201.09354	0.4
201.12439	0.8
203.10225	1.3
213.15996	2.1
219.08083	0.3
219.13405	6.6
226.13661	0.7
229.08786	4.9
229.15370	0.5
242.13258	0.5
243.17188	0.5
280.16550	0.6
294.21350	0.3
298.17551	3.2
300.15466	1.4
310.21326	0.4
316.18671	56.2
317.19064	0.7
347.11627	0.7
358.20032	0.4
391.10278	0.8
420.12604	1.9
429.26990	1.2
430.00674	0.3
457.02728	0.3
464.11688	0.6
484.13651	1.0
496.17529	0.6
528.11279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
56.05021	0.4
58.06599	4.2
59.07383	1.7
60.07884	0.6
60.08169	10.2
67.04241	0.9
68.05027	0.6
69.03416	0.4
69.07045	0.7
70.06248	0.5
70.06600	5.9
70.85365	0.3
71.38992	0.3
72.08170	1.6
73.01151	0.4
81.07029	0.3
82.05319	1.0
83.03875	0.3
84.04504	0.8
84.08144	1.9
85.02937	0.5
86.06086	0.3
86.09713	3.8
91.05494	0.5
94.97907	0.3
99.01432	3.4
102.05563	0.6
103.97533	0.3
104.98299	0.6
106.78091	0.3
110.07183	0.9
111.02664	1.2
112.03517	0.3
113.04234	0.8
114.02457	0.5
120.08107	1.0
120.23911	0.3
124.00951	0.3
124.07618	0.5
125.01730	3.6
126.02493	28.0
127.03266	3.6
127.04004	0.4
127.08678	0.4
129.10233	1.1
136.07596	1.1
141.01161	0.3
143.02757	0.4
152.00391	2.9
155.08240	0.4
157.06671	2.4
167.06395	2.4
170.01505	1.6
170.07480	7.8
185.09833	100.0
186.10442	1.6
207.11295	0.4
209.20335	0.3
213.13989	0.3
223.03532	0.9
226.13771	2.9
229.08823	35.0
230.09480	1.1
237.05165	1.2
253.04694	0.7
257.09186	0.5
266.16791	0.7
268.09451	0.6
281.04102	0.3
282.10913	1.3
296.12476	1.1
299.14832	0.4
321.96646	0.3
347.11594	3.3
391.10556	4.7
394.57407	0.3
405.03445	0.3
420.12698	10.9
432.09549	0.4
452.18802	0.4
454.19522	0.4
464.11682	5.0
484.12802	1.1
496.17050	0.3
528.11493	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	526.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05037	2.2
55.05512	13.5
57.03440	9.4
57.07076	3.6
59.05018	2.9
64.20789	1.9
65.03955	2.3
67.05510	100.0
69.07080	15.2
70.04058	8.0
71.05004	4.4
71.08630	4.0
77.21775	2.4
79.05503	8.2
81.07066	47.1
83.08626	16.3
87.04462	2.4
89.06045	38.0
91.05489	8.7
93.07041	10.5
95.08616	21.7
96.05653	2.5
97.10179	5.5
105.07038	6.1
107.07080	2.8
107.08577	7.7
109.10173	63.7
111.08096	2.5
119.08574	8.0
121.10142	4.8
123.11715	7.5
133.08607	29.5
133.10150	7.0
147.11700	2.5
149.66441	2.3
155.10648	6.7
163.14952	2.2
173.11777	21.0
177.11227	10.1
178.60274	2.1
229.14383	86.2
239.06171	2.4
263.23755	3.7
327.20279	21.6
337.27386	91.4
338.27597	2.9
491.37363	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	7.6
58.83460	0.6
62.95367	0.7
65.39547	0.6
70.77539	1.7
70.77882	0.9
71.95261	1.2
87.60781	0.7
89.99272	0.6
92.09475	0.6
97.01462	0.7
98.97591	88.4
99.97863	0.7
101.47979	0.7
116.98634	61.0
117.09336	0.7
134.99670	27.6
140.00240	1.8
153.00748	3.3
158.01260	1.1
174.97737	0.9
216.98863	0.8
232.96710	1.5
234.99886	4.6
240.98616	7.9
250.97810	1.9
256.96756	2.1
257.96951	0.7
258.99811	88.1
259.99985	3.6
261.00006	0.8
261.03195	2.4
264.99149	0.9
274.97650	9.3
275.98013	1.6
277.00854	100.0
278.01016	3.5
279.00943	1.3
282.01492	3.0
282.99918	10.1
284.00247	0.9
291.02426	1.2
292.98672	2.4
293.99112	1.2
295.01987	1.1
298.97687	5.5
299.98026	1.7
300.02536	2.4
300.97766	0.8
301.01031	13.1
302.01117	1.6
303.01080	1.5
316.98923	7.6
317.98993	1.4
318.98645	1.3
319.02118	0.8
335.00348	0.9
340.99155	1.2
356.97348	1.0
359.00070	6.3
364.99332	1.4
382.99924	21.4
384.00153	1.2
401.01022	81.5
402.01315	5.2
403.01300	1.1
415.02496	1.0
416.99124	0.9
417.99115	1.0
419.02261	14.3
424.02753	3.2
425.01614	1.3
440.99194	3.5
441.98962	1.7
443.02200	3.0
459.00018	2.4
460.00232	2.1
461.00204	1.1
483.00262	1.4
500.98257	1.1
507.00211	1.5
525.01257	32.8
526.01593	3.3
542.98627	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	525.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05510	1.8
56.05039	1.6
57.03445	1.1
57.39875	0.8
58.99574	3.9
60.04525	1.2
60.82246	0.8
67.05520	2.1
69.03436	11.5
69.07066	2.0
70.06598	19.4
71.06119	2.4
71.25601	1.3
71.25935	0.9
72.04520	6.9
72.08160	4.8
73.02934	1.1
74.06081	1.0
76.02242	0.9
77.00632	2.8
79.05507	2.1
81.07063	1.5
81.96165	0.8
83.06132	1.1
84.04510	4.5
84.08165	7.9
85.02908	9.3
85.06551	2.2
85.60618	0.9
86.06064	2.4
86.09710	10.0
89.34084	0.8
91.05493	1.9
92.98336	37.6
93.07029	1.0
95.01338	17.6
95.04980	2.7
97.02884	1.4
97.06544	3.2
99.08095	1.0
100.07632	1.9
103.03926	1.2
104.01693	1.1
104.05332	1.0
104.98331	1.8
107.08622	1.1
109.02869	1.4
110.00975	16.4
110.06041	0.8
110.07185	2.9
112.07610	3.2
113.02332	1.0
113.06033	2.6
114.03777	1.1
118.03260	6.4
118.59855	0.8
120.08144	4.5
121.10145	1.4
123.11659	1.1
124.07585	2.1
125.05997	15.5
126.05517	2.2
127.03912	1.9
129.10254	4.4
130.03310	0.9
134.00963	5.2
136.07616	4.0
137.07942	0.9
142.05046	3.4
142.08693	4.1
143.07095	1.4
146.00961	2.7
147.05867	10.9
151.03952	1.2
152.02005	5.8
153.05482	10.7
162.05511	0.9
163.03645	2.0
164.02010	9.5
164.85094	0.9
166.08606	1.0
168.06610	1.1
180.42287	0.8
181.04651	33.0
181.06273	1.6
183.11357	1.0
184.09760	2.4
189.10129	1.4
190.04884	0.9
191.03108	2.2
209.62477	0.9
214.07179	2.4
215.05597	4.4
221.07791	13.3
221.09790	1.0
260.98807	1.3
268.08167	1.8
292.09137	1.7
293.09903	1.7
324.05713	2.3
357.81668	1.0
360.70569	0.9
377.08218	2.7
395.09464	100.0
396.09576	1.1
440.51184	1.0
507.07315	1.7
507.14728	31.7
508.14709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.13150	0.3
56.05049	1.5
57.03434	0.7
57.07083	3.2
58.06569	1.3
59.07393	0.4
60.08169	18.4
67.05502	0.7
69.07066	0.3
69.37650	0.8
69.38079	1.3
71.07381	7.0
71.08636	2.1
81.07049	0.6
83.08615	0.3
85.10181	1.2
85.93468	0.2
86.09713	50.2
95.08607	1.1
98.98476	3.9
102.70525	0.2
104.10752	96.8
105.11077	0.3
109.10162	0.4
125.00014	28.9
138.63556	0.3
143.01076	0.4
150.72322	0.3
163.01567	0.7
179.65712	0.2
181.02432	0.3
184.07356	100.0
190.92824	0.3
201.27292	0.3
215.20233	0.3
258.11078	1.2
341.30600	1.4
447.28571	0.5
451.90524	0.3
480.38187	0.4
506.36136	7.7
524.37164	28.1
525.37555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.7
57.03429	14.4
57.07065	4.6
67.05173	6.4
67.05511	100.0
69.07071	8.9
71.48006	6.4
79.05497	23.8
81.03406	5.9
81.07069	31.6
83.08611	7.6
91.05466	17.0
93.07068	21.2
95.08614	19.1
105.07023	5.9
107.08607	11.9
109.10165	75.8
119.08601	13.2
121.10184	9.8
131.08612	7.3
135.11635	6.1
152.22397	3.8
173.11777	23.0
177.18770	4.2
188.33008	4.3
229.14380	76.5
261.22052	12.8
335.25894	59.4
336.25620	4.9
466.94821	4.4
489.35632	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93619	0.4
53.03951	0.5
55.01860	2.9
55.05517	3.2
57.03430	1.2
57.07066	0.7
62.06088	0.7
67.05510	3.6
69.07071	3.4
70.74193	0.9
71.04985	0.5
79.05494	3.5
81.07063	18.4
83.04968	2.1
83.08650	1.3
84.08618	0.4
91.05468	2.4
93.07053	3.8
95.04953	0.4
95.08621	4.9
97.06561	1.0
98.73967	0.4
99.68800	0.4
102.13610	0.4
105.07005	2.3
107.08593	3.9
109.06526	9.6
109.10164	2.5
111.04446	15.0
111.08091	1.2
113.06017	0.4
116.57710	0.4
117.07001	0.4
119.08596	3.3
121.06367	0.4
121.10149	4.2
123.08083	2.1
123.11732	2.2
125.06000	6.0
130.79166	0.4
131.08586	1.4
133.10153	4.5
135.08063	3.3
135.11694	4.8
137.05984	100.0
137.09579	1.2
137.13261	1.3
138.06320	0.9
139.07571	0.4
143.08568	1.1
143.09683	0.4
145.10120	1.5
147.08058	1.1
147.11702	6.4
149.09627	3.8
149.13269	1.4
151.07532	2.4
151.11179	1.3
157.10123	1.8
159.11659	0.9
161.09615	6.7
161.13208	2.6
163.11182	3.8
163.14832	0.9
165.09109	2.6
165.12755	0.7
167.10675	0.8
171.11720	1.6
175.11197	5.5
175.14854	0.9
177.09207	0.5
177.12787	0.8
179.10654	3.0
181.12273	0.6
185.13333	0.7
189.12798	1.3
191.46889	0.4
193.12155	0.9
198.05351	0.9
203.14349	0.6
203.17973	7.5
205.19524	1.0
213.16412	2.5
216.06367	1.3
221.19048	1.9
223.14876	0.6
231.17465	9.9
241.15819	1.5
249.18509	7.4
256.60968	0.4
276.19690	0.5
277.18011	54.9
278.18384	0.8
295.19037	9.3
320.22220	4.4
351.21689	50.1
352.21744	0.9
376.24811	0.5
381.22632	0.5
383.24307	46.7
384.24692	1.3
431.18326	1.8
447.35156	0.5
474.22467	0.8
492.23529	2.9
524.26086	0.9
525.12170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05045	0.5
57.03437	0.1
57.07077	0.1
58.06628	0.4
59.07388	0.1
60.08166	6.2
62.75324	0.1
67.05508	0.3
69.07062	0.4
70.25453	0.2
70.25854	0.2
71.07375	2.9
71.08621	0.1
72.96685	0.1
73.01122	0.1
80.97437	0.1
81.07064	0.2
83.08630	0.2
86.09708	30.6
87.10075	0.1
95.08634	0.2
97.10140	0.1
98.20799	0.1
98.98466	3.2
104.10748	3.3
105.11047	0.1
107.08653	0.1
108.32360	0.1
117.96581	0.1
121.10163	0.1
125.00010	20.9
135.11659	0.1
143.01094	0.2
163.01569	0.1
184.07346	100.0
185.07713	0.5
205.03906	0.1
258.11185	0.1
339.29239	0.2
504.34555	1.1
522.35535	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37916	0.3
55.05524	1.9
56.05029	1.3
57.03429	0.5
57.07073	0.4
58.06594	1.8
59.07375	0.6
60.08171	17.4
67.05508	1.3
69.07072	1.8
69.54366	1.5
69.54781	0.9
71.07382	6.3
78.31599	0.3
79.05487	0.5
81.07053	1.3
83.08620	1.0
86.09712	50.5
93.07070	0.9
95.08589	1.4
97.10186	0.8
98.98470	4.0
104.10752	100.0
105.11109	0.5
107.08622	0.4
121.10172	0.8
125.00015	28.4
135.11707	0.3
137.75842	0.3
139.91969	0.3
143.01051	0.4
163.01578	0.7
184.07355	96.7
185.07704	0.4
258.11044	1.3
305.59491	0.4
339.29095	0.8
362.11469	0.4
504.34619	8.2
522.35632	25.2
523.36102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54124	4.2
55.01873	9.3
58.06599	16.4
58.99594	8.7
61.52432	4.4
67.05506	8.4
69.68006	16.8
69.68416	11.2
70.06583	20.1
73.01131	25.6
73.05284	8.3
75.01459	4.9
76.02232	34.2
76.04006	14.8
77.73539	4.3
82.74832	4.4
84.04516	100.0
84.08150	11.7
86.09721	6.7
87.02672	4.4
89.04259	7.5
96.08126	8.2
98.06068	35.0
98.20827	7.6
99.02668	35.6
99.05608	6.9
100.02227	13.8
100.07634	8.7
101.04224	7.4
102.88736	4.9
104.98320	13.1
107.67776	4.4
112.03997	15.3
113.04228	9.6
114.03756	9.2
116.01682	19.5
116.05328	79.2
116.07091	23.8
118.06930	8.4
120.08131	11.8
126.05516	47.3
128.02980	5.9
128.05807	6.7
129.04272	6.7
129.10219	5.5
130.03253	17.6
130.05022	55.9
142.03236	8.5
142.99849	15.8
145.06126	20.5
146.06865	12.2
147.07700	12.3
148.02499	16.0
156.06612	12.6
158.02727	15.5
162.02203	14.7
166.36638	4.4
170.08153	17.8
171.07678	17.1
172.11600	8.4
173.09209	44.0
176.02049	15.0
179.04851	12.4
181.06012	6.6
186.30376	4.7
197.12460	5.6
199.07191	12.6
201.08751	24.8
202.05565	35.5
205.06480	7.7
217.06444	63.2
219.08011	98.6
232.05157	12.8
233.06084	5.2
243.08495	7.8
247.11076	7.6
251.05238	10.3
274.10315	16.5
275.11139	34.0
284.03268	22.3
289.07312	7.7
307.08099	61.0
338.04419	6.6
339.05688	15.2
348.12115	35.2
349.13199	10.9
380.09460	83.1
402.90747	5.0
413.07339	63.3
445.04587	11.7
524.12091	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	522.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05269	0.9
55.05515	11.3
57.03444	7.4
57.07069	1.9
60.04521	1.0
65.03931	1.1
67.05511	25.9
69.06725	0.9
69.07076	14.5
70.99989	0.5
71.00319	1.3
71.08628	0.9
74.38097	0.6
79.05495	7.1
81.07062	25.7
83.08631	6.5
86.09698	0.8
88.03999	7.1
91.05495	5.2
91.17809	0.5
93.07046	6.7
95.08613	19.2
97.06541	1.6
97.10173	4.2
98.98470	4.5
99.08129	0.7
105.07057	2.7
106.05047	1.1
107.08593	3.6
107.89519	0.6
109.10163	6.7
111.11788	0.5
114.52197	0.5
118.57962	0.5
119.08618	2.6
121.10161	3.0
123.11689	2.9
124.99993	0.8
125.09686	0.5
133.10149	2.6
135.11659	1.4
137.13242	0.7
147.11700	1.8
149.13222	0.9
155.01057	0.9
161.13286	1.4
173.02103	1.1
184.07401	2.7
185.07738	1.3
245.22676	1.0
263.23734	1.9
311.63043	0.6
337.27386	100.0
338.27713	2.1
350.26898	1.9
374.21924	0.6
452.01978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	11.9
57.03435	6.6
57.07076	4.8
57.20748	1.9
60.04528	25.2
60.09800	1.9
65.03932	3.9
67.05170	3.5
67.05508	40.9
69.07071	19.5
71.16663	5.1
79.05494	10.4
81.07060	40.1
83.08630	9.8
84.90559	2.1
86.09675	2.7
88.03998	88.9
91.05474	9.1
93.07049	13.2
95.08620	31.6
97.06514	3.1
97.10178	5.0
98.48444	2.0
98.98473	45.5
104.10727	3.8
105.07032	5.4
105.10484	2.2
106.05037	45.1
107.08618	8.3
109.10155	16.1
113.04208	2.4
119.08624	5.0
121.10175	6.6
122.00066	2.5
123.11721	4.6
125.09671	3.0
133.10165	3.7
135.11714	4.7
147.11656	3.3
149.02351	2.7
149.13219	2.9
154.92914	2.1
155.01064	25.5
161.13242	3.3
173.02156	9.8
175.11098	2.4
184.07280	3.7
186.01683	2.1
193.05089	4.0
237.07759	2.6
245.22740	8.2
260.05203	2.2
263.23746	19.1
312.32553	3.3
337.27374	100.0
338.27542	3.1
350.26895	9.4
353.50519	2.3
522.37469	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	522.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97507	1.5
53.03944	3.7
55.01866	2.0
55.05515	3.0
56.05042	1.6
57.52274	1.7
61.02930	1.9
65.03938	2.3
67.05495	2.7
69.03415	7.0
69.07058	5.7
70.06590	12.0
70.35818	1.4
71.55314	2.5
72.08158	1.9
79.05491	9.7
81.03406	9.9
81.07055	5.0
84.04508	3.6
84.08138	6.3
85.02924	15.0
85.06554	1.7
86.09701	5.9
87.00830	6.1
91.05478	16.8
93.07050	16.3
94.04184	1.6
95.01330	1.6
95.04965	3.1
95.08596	4.9
97.02896	3.6
99.04436	2.4
99.08089	2.4
102.05533	3.8
103.05470	3.6
104.05305	2.1
105.01862	5.6
105.07032	30.0
107.04964	1.9
107.08603	46.7
109.02887	4.7
109.06508	3.7
109.10167	3.0
110.07136	2.6
113.04244	3.5
115.05454	2.9
117.03375	3.7
117.06997	3.4
119.04974	7.6
119.06032	1.5
119.08591	42.7
119.09453	2.4
120.08096	4.7
121.10142	31.3
122.03674	4.6
123.08064	5.9
125.05959	2.1
127.03913	6.8
129.10202	3.3
130.06525	1.5
131.04970	2.2
131.08540	1.4
133.06537	11.8
133.07503	3.0
133.10127	6.1
135.08040	2.0
135.11697	3.1
137.05981	99.7
143.04843	2.4
145.02827	5.8
145.04971	2.6
145.06569	1.8
145.10132	3.2
147.04440	2.0
147.08040	5.5
147.11703	3.3
149.06056	2.9
151.03934	1.6
151.07559	33.4
153.05467	2.9
159.02983	3.6
160.05209	5.4
161.05952	5.5
161.13268	70.2
163.07562	2.1
165.07765	2.9
165.09123	44.2
167.10577	1.9
171.11700	2.1
175.07533	16.8
177.05496	11.0
179.10652	6.3
179.14305	7.4
187.07552	6.9
189.12764	14.0
193.15903	3.8
193.60284	1.6
194.08130	4.0
201.05524	4.6
203.07127	2.7
205.08606	9.4
207.13815	100.0
208.14166	2.2
221.15379	83.7
225.14796	2.2
239.16437	76.3
267.67957	1.6
291.30524	1.4
311.12784	4.1
355.11823	2.0
398.16183	2.1
405.09720	1.7
522.20374	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	521.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	2.9
64.34232	2.0
68.25862	1.9
70.06593	17.9
71.55090	2.8
72.08157	7.6
74.06073	2.1
84.04511	7.5
84.08161	13.2
85.02907	3.8
86.09713	22.6
87.10048	1.9
90.89317	1.8
91.05489	2.9
102.05537	5.6
103.05443	8.9
104.05333	3.5
107.01708	2.3
109.06509	2.3
110.07146	4.1
116.07079	5.2
120.08118	15.7
120.69200	1.9
121.88875	1.8
127.03957	1.9
129.10254	4.9
131.04939	20.4
136.07544	5.2
137.05980	3.2
153.02179	2.4
157.13408	2.1
163.07549	6.1
184.84381	1.9
187.07359	2.3
191.08356	2.2
192.23886	1.7
197.11728	3.8
205.06483	8.4
207.08115	2.5
219.08134	4.2
221.05972	5.4
222.06776	6.0
229.15567	2.0
233.05989	19.4
234.06812	6.1
235.07542	2.3
236.08566	3.4
237.09067	4.9
239.07158	2.1
242.66743	1.8
246.06845	7.1
247.07510	7.1
249.05455	5.0
249.09113	4.0
250.06212	12.6
251.07056	6.8
261.05481	20.3
262.06082	2.4
263.07077	5.2
264.07916	6.3
265.08633	12.3
266.09326	4.0
267.06540	3.1
268.07343	2.3
275.07016	4.7
276.13547	3.3
278.05753	8.4
279.06680	2.0
279.10187	4.0
279.13202	2.1
281.07974	2.6
283.09717	18.5
292.07370	8.0
293.08102	22.3
295.06039	3.4
307.09674	23.6
310.08377	8.2
325.10718	100.0
342.13361	94.1
505.79678	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	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60167	0.2
55.05505	1.0
56.05034	1.4
57.03432	0.4
58.06577	1.5
60.08166	16.7
67.05506	3.0
69.07066	1.0
69.22066	0.4
69.22469	1.9
69.95407	0.2
70.06590	0.2
71.07377	6.6
79.05499	1.0
81.07059	3.0
83.08649	0.4
86.09708	48.1
87.10011	0.2
91.05482	0.5
93.07051	0.9
95.08610	2.0
97.10254	0.2
98.20650	0.4
98.98468	4.5
104.10747	99.1
105.07045	0.4
105.11102	0.5
107.08604	0.5
109.10173	0.4
119.08677	0.3
124.05350	0.2
125.00009	28.6
163.01581	0.5
180.78639	0.2
184.07346	100.0
185.07619	0.3
201.41016	0.2
241.85080	0.3
258.11124	1.1
337.27518	0.7
338.59738	0.2
390.40555	0.3
443.25479	0.5
478.59436	0.3
502.32938	8.5
520.33997	23.6
521.34198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	2.9
64.34232	2.0
68.25862	1.9
70.06593	17.9
71.55090	2.8
72.08157	7.6
74.06073	2.1
84.04511	7.5
84.08161	13.2
85.02907	3.8
86.09713	22.6
87.10048	1.9
90.89317	1.8
91.05489	2.9
102.05537	5.6
103.05443	8.9
104.05333	3.5
107.01708	2.3
109.06509	2.3
110.07146	4.1
116.07079	5.2
120.08118	15.7
120.69200	1.9
121.88875	1.8
127.03957	1.9
129.10254	4.9
131.04939	20.4
136.07544	5.2
137.05980	3.2
153.02179	2.4
157.13408	2.1
163.07549	6.1
184.84381	1.9
187.07359	2.3
191.08356	2.2
192.23886	1.7
197.11728	3.8
205.06483	8.4
207.08115	2.5
219.08134	4.2
221.05972	5.4
222.06776	6.0
229.15567	2.0
233.05989	19.4
234.06812	6.1
235.07542	2.3
236.08566	3.4
237.09067	4.9
239.07158	2.1
242.66743	1.8
246.06845	7.1
247.07510	7.1
249.05455	5.0
249.09113	4.0
250.06212	12.6
251.07056	6.8
261.05481	20.3
262.06082	2.4
263.07077	5.2
264.07916	6.3
265.08633	12.3
266.09326	4.0
267.06540	3.1
268.07343	2.3
275.07016	4.7
276.13547	3.3
278.05753	8.4
279.06680	2.0
279.10187	4.0
279.13202	2.1
281.07974	2.6
283.09717	18.5
292.07370	8.0
293.08102	22.3
295.06039	3.4
307.09674	23.6
310.08377	8.2
325.10718	100.0
342.13361	94.1
505.79678	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	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05043	0.7
57.03444	0.1
58.06631	0.5
59.07390	0.2
60.08166	6.4
67.05507	0.7
69.07067	0.3
69.48239	0.6
70.06631	0.1
71.07378	3.2
79.05495	0.1
81.07058	0.5
83.08634	0.1
86.09711	30.9
93.07057	0.2
95.08575	0.2
98.98470	3.6
104.10039	0.2
104.10744	3.1
116.55574	0.1
125.00011	23.0
143.01073	0.2
184.07349	100.0
185.07671	0.4
258.11060	0.2
337.27576	0.1
354.51541	0.1
369.00299	0.1
388.50372	0.1
502.32959	1.0
520.26563	0.1
520.34045	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24685	0.7
52.69796	0.6
53.03940	1.7
55.05521	8.7
56.14700	0.6
57.03441	7.1
60.08145	1.7
65.03940	1.5
67.05509	32.2
69.07070	8.8
70.06590	1.0
70.87646	1.4
70.87995	1.0
71.04997	0.9
73.01141	1.1
75.21057	0.6
79.05061	1.2
79.05499	18.1
79.05961	1.1
79.56239	0.6
81.07060	25.2
83.05018	0.7
83.08617	3.3
85.06554	0.7
86.09708	8.7
87.10051	1.8
88.03992	5.9
91.05464	8.0
93.07049	16.5
95.04948	1.7
95.08615	21.3
97.06537	1.7
98.98474	6.8
105.07036	4.8
106.05010	0.8
107.08600	7.3
109.06569	0.7
109.10170	8.1
113.04240	3.3
117.07023	1.3
119.08540	3.3
121.10161	6.8
123.11724	1.9
125.00008	4.7
126.00327	0.8
131.08580	2.7
133.10133	2.8
135.11667	2.3
136.95459	0.7
145.10109	1.7
147.11714	1.5
149.13246	1.4
150.58788	0.6
155.01042	0.9
159.11726	1.3
161.13242	1.3
163.14680	1.2
169.05621	0.7
173.02100	1.2
173.13268	1.0
184.07349	19.0
185.07742	8.2
186.07751	4.6
200.26904	0.6
224.00465	0.6
233.59775	0.6
243.39632	0.6
261.22180	1.5
267.99496	0.7
287.35190	0.7
299.06519	0.8
335.25815	100.0
336.26123	2.1
348.25253	1.7
520.32648	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49055	3.0
62.19559	3.5
69.70831	20.3
73.02952	3.2
81.51514	3.6
85.02902	4.0
88.03484	6.5
88.04000	100.0
91.02148	3.4
91.05804	3.7
104.07099	5.3
114.03752	5.1
132.77005	3.5
160.04280	4.1
176.89447	6.2
177.04269	3.7
178.05328	51.0
181.68401	3.2
186.04788	3.6
222.95561	2.8
222.98407	2.8
237.00960	6.1
238.01031	4.9
255.02350	3.6
274.40289	3.5
298.03448	3.3
340.04697	6.6
358.05688	9.1
459.57504	3.8
520.10901	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	520.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.05517	8.0
57.03183	0.8
57.03440	8.4
57.07086	1.0
60.04529	1.2
60.08155	1.5
65.03940	1.7
67.05510	33.6
69.07076	8.6
69.33767	3.7
69.34171	1.3
73.01133	1.0
78.70966	0.6
79.05065	1.1
79.05497	17.5
81.06582	1.4
81.07060	26.6
83.04966	1.1
83.08624	3.3
85.06554	0.8
86.09720	4.4
87.10038	1.3
88.04001	6.6
91.05476	7.7
93.07053	18.3
95.04968	0.7
95.08612	21.9
97.06525	1.8
97.10169	1.2
98.20779	1.4
98.98468	5.8
105.07050	5.1
106.05020	1.6
106.19479	0.6
106.29397	0.6
107.08599	8.8
109.06529	0.7
109.10165	7.8
113.04235	3.1
114.04586	0.6
117.07001	2.0
119.08601	3.8
121.10153	5.9
123.08057	0.7
123.11711	2.0
125.00015	4.2
127.00402	0.8
131.08586	2.7
133.10129	2.3
135.11714	3.7
136.95468	1.5
137.09566	0.9
137.56592	0.6
145.10097	1.2
147.11684	1.3
149.13257	1.2
155.01083	0.7
159.11703	0.7
161.13255	1.3
173.02100	1.4
173.13306	0.9
184.07350	13.4
185.07727	5.2
186.07826	3.5
261.22104	1.6
335.25809	100.0
336.26178	2.0
348.25214	1.9
414.58481	0.7
470.92767	0.6
496.73578	0.7
520.33105	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.4
56.05034	5.9
57.02179	3.5
58.06605	13.6
58.99593	4.8
61.01154	3.6
67.05509	9.9
70.06241	3.4
70.06600	31.5
70.12574	5.3
70.12960	5.0
72.08158	7.2
73.01142	11.0
73.05307	6.8
74.00665	6.1
74.09716	7.8
75.02711	7.7
76.02237	9.3
76.02679	1.9
76.04008	8.0
82.06575	2.3
84.04514	80.3
84.08173	10.5
86.06097	2.1
86.09708	4.2
88.04009	3.0
93.91236	2.4
98.06067	37.3
99.02694	31.9
99.05574	5.9
100.03443	7.6
100.04036	2.9
100.07648	7.0
101.04234	2.9
101.07168	2.5
102.00104	2.6
102.05546	3.7
103.06328	3.9
104.98357	4.8
106.98634	4.7
111.79200	2.3
112.04011	18.5
113.04249	6.6
116.01667	6.5
116.05332	71.3
116.07083	16.6
117.07365	34.0
118.06901	6.8
120.08131	3.3
126.05526	52.9
127.08689	4.0
128.02954	13.1
128.05890	3.0
129.04297	3.9
130.03340	2.8
130.05019	55.4
135.81424	2.2
141.06613	4.7
142.99977	2.9
144.01190	3.9
144.52118	2.4
145.06093	12.2
146.06898	13.8
147.07689	10.2
155.08116	3.0
156.06583	18.5
158.02739	3.7
160.00676	5.6
162.02202	4.5
170.08160	16.7
171.07689	3.3
173.09236	61.9
177.03329	6.3
179.05049	3.6
182.06827	6.0
199.07143	9.1
200.07904	4.6
201.08688	28.9
202.03891	3.4
202.05394	34.1
205.00871	2.1
205.06441	3.4
206.09053	6.3
210.01363	2.8
212.07819	3.2
212.98964	4.9
219.08011	100.0
231.04424	2.5
232.05281	2.9
232.48543	2.2
247.11162	9.7
257.10138	5.4
273.09131	6.2
274.10406	12.4
275.11127	39.4
284.03156	30.3
306.07535	10.7
307.10403	17.5
334.36954	2.6
338.04358	7.9
339.05640	16.4
348.12213	42.6
349.13156	12.1
394.50714	2.8
413.07495	87.2
496.50500	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	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05038	0.6
57.03429	0.2
58.06630	0.4
59.07409	0.1
60.08164	5.9
67.05508	0.5
69.07097	0.1
70.06583	0.1
71.07372	3.4
76.87772	0.1
78.20609	0.1
79.05489	0.3
81.07048	0.4
85.15127	0.1
86.09705	30.8
87.10015	0.1
91.05479	0.1
93.07032	0.3
95.08612	0.4
98.98462	3.1
103.31992	0.1
104.10741	3.1
109.10149	0.2
125.00005	22.3
129.96944	0.1
141.44960	0.1
143.01030	0.2
184.07339	100.0
185.07683	0.3
197.12993	0.1
258.11002	0.1
303.69507	0.1
313.96109	0.1
335.25790	0.2
348.02908	0.1
378.78607	0.1
460.77951	0.1
500.31335	1.0
518.32471	2.0
523.74530	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
56.05043	1.8
58.06586	1.7
59.07381	0.3
60.08165	17.8
66.92158	0.3
67.05506	2.4
69.07071	0.8
70.03536	0.8
70.06590	0.4
70.59203	0.3
71.07373	7.3
77.82086	0.3
79.05501	2.1
81.07069	2.1
86.09707	49.9
91.05482	1.2
93.07047	2.0
95.08595	1.4
98.21512	0.3
98.98474	4.9
104.10745	99.6
105.07045	0.7
107.08595	0.8
109.10165	0.3
119.08595	0.3
121.10129	0.6
125.00008	28.6
133.10155	0.3
145.10199	0.3
149.20592	0.3
163.01537	0.6
181.02565	0.4
184.07343	100.0
185.07687	0.6
258.11069	1.3
335.25958	0.5
441.23779	0.3
500.31339	8.9
518.32434	22.3
519.33057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.05517	7.3
56.05041	0.8
57.05809	0.7
58.40676	0.2
60.04530	1.2
69.03036	0.3
69.03392	0.2
70.02962	0.4
70.06585	2.8
72.08161	100.0
73.08503	0.3
74.06077	0.9
84.04529	1.6
84.08164	1.6
85.02911	0.7
85.48714	0.2
86.09712	4.8
87.05623	0.9
87.10080	0.4
88.03999	0.3
88.29283	0.2
97.60420	0.2
98.02422	0.4
101.07169	0.4
102.05560	0.6
110.07142	0.5
111.09196	0.4
112.07656	0.2
114.09140	1.2
116.07122	0.3
120.08141	0.8
121.08416	0.2
124.07600	0.3
126.12833	0.3
129.06596	0.3
129.10251	1.1
130.08556	0.2
134.04535	0.5
141.10246	0.7
143.11876	0.3
147.07770	0.2
148.06085	0.3
159.11304	7.5
169.09740	4.8
171.11427	0.3
171.14955	4.3
173.12904	0.7
177.05495	0.4
187.10791	6.4
199.14438	4.9
201.12471	0.6
207.08174	0.3
215.10423	0.2
223.14359	1.2
224.08365	0.2
233.11340	7.2
235.07629	0.5
240.17090	0.3
241.15590	0.6
252.07767	0.3
256.07413	0.3
258.10989	0.2
258.18265	0.3
265.08508	0.3
267.10165	0.6
268.16571	15.9
283.09689	0.3
286.17645	10.5
299.12930	0.3
325.10968	0.9
332.18240	1.7
340.22363	0.3
342.13235	2.2
343.13971	0.3
357.24994	4.3
367.23358	0.6
385.24493	3.6
419.21555	0.5
518.16223	0.3
518.28485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	8.2
56.05035	3.7
58.06594	10.9
58.99582	9.1
59.66605	2.7
66.26108	2.5
67.05469	3.3
67.10791	3.2
68.05015	3.1
69.03433	3.1
69.35589	17.2
69.36054	10.2
70.06576	9.9
73.01138	11.6
74.00655	4.3
74.02438	4.4
76.02242	20.6
79.62047	3.0
84.04513	100.0
84.08151	6.4
96.08125	25.6
99.02686	47.4
101.04247	6.2
104.98319	2.9
112.03964	20.9
116.01665	10.7
116.04552	5.3
116.05322	62.4
116.07097	15.2
124.07598	23.6
126.09120	3.6
130.05013	12.3
142.03189	9.0
142.08614	15.2
144.04799	3.4
157.58437	3.1
160.00369	3.0
162.02211	11.9
165.43643	2.9
170.02664	3.0
170.08130	97.2
170.09583	5.5
179.04886	24.0
202.05353	56.4
219.07994	71.0
245.05885	4.9
245.09499	4.4
246.95900	3.1
273.08972	16.8
291.06482	4.1
307.63721	3.1
330.10980	5.3
348.12259	56.6
348.23297	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	518.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11773	0.5
55.01872	0.7
55.05513	0.5
55.58581	0.5
56.05042	0.8
56.13464	0.5
59.87251	0.5
60.04220	0.8
60.04526	15.3
60.04813	1.1
69.07068	1.6
69.61909	1.3
69.62302	2.9
70.02961	2.9
70.06593	6.9
71.55679	0.6
72.04515	1.0
72.08158	2.7
74.06104	0.7
74.53815	0.6
74.77015	0.6
76.10316	0.5
84.04500	1.8
84.08150	2.3
85.02879	0.7
86.09711	95.8
87.05602	14.0
87.10033	0.7
87.55280	0.6
88.04001	4.6
91.05484	0.7
96.04479	1.4
96.27132	0.5
106.99747	0.5
110.02420	0.9
110.07143	1.3
110.09673	0.7
112.11260	0.8
113.07040	0.7
113.10777	0.6
114.05496	1.1
115.08703	2.6
120.08124	0.9
128.10721	10.1
129.10283	1.4
132.10219	23.6
136.07628	1.0
141.06595	12.7
141.10248	2.2
143.11827	0.7
144.06596	0.5
153.76874	0.5
154.32356	0.5
155.11867	0.7
157.13390	1.7
159.07654	7.5
159.08897	0.9
166.08678	2.2
171.11357	0.7
171.44360	0.6
173.12871	100.0
183.11337	1.9
185.12877	0.8
187.07156	18.5
187.10754	1.5
201.12360	61.3
202.12723	0.7
212.09167	1.8
215.13901	0.6
219.46240	0.6
227.13898	1.2
229.11842	1.5
246.82079	0.5
247.12891	12.3
254.14928	2.0
256.69626	0.7
272.16061	18.8
300.15469	3.3
318.16605	10.2
369.17603	2.1
387.18759	11.5
472.27295	0.9
500.27258	1.7
518.27844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.7
56.05029	4.8
58.06596	5.3
58.99581	8.5
61.01140	5.4
65.03949	2.8
69.03426	2.8
69.07077	2.6
69.56651	10.5
69.57056	4.6
70.06573	7.9
73.01144	10.2
74.00665	15.2
76.02222	9.0
76.03984	3.7
81.03404	2.5
84.04510	97.6
84.08131	7.4
85.02901	5.4
85.04036	4.6
86.09690	4.2
87.00829	1.9
91.05479	8.3
92.01700	2.4
96.08140	20.5
97.02859	4.0
99.02693	21.1
101.04213	3.9
104.98320	30.0
107.99411	4.9
109.02858	6.2
112.03955	18.9
113.03525	2.6
113.04262	2.3
115.05784	3.6
116.01671	8.6
116.05323	36.0
116.07088	12.2
124.07584	17.9
126.09171	3.4
127.03917	6.2
129.06627	2.5
130.05009	36.4
131.04544	9.4
142.03229	5.7
142.08650	15.0
145.06142	4.7
147.02954	8.4
148.02487	10.0
153.06647	2.7
156.06564	2.0
160.00661	2.5
162.02199	11.3
170.08133	100.0
173.12827	1.9
174.00476	3.3
177.03296	21.2
179.04860	19.3
181.06085	2.8
185.03694	2.4
188.02045	3.0
201.12349	2.5
202.05353	22.9
211.02058	14.8
213.12317	4.2
219.08005	67.1
231.04637	2.3
245.05881	3.1
245.09534	3.2
251.05225	26.6
273.09030	6.3
274.27951	2.4
285.04153	2.9
291.06442	4.6
295.13284	2.1
305.06195	7.4
306.07477	2.4
325.06946	5.2
330.11255	3.5
348.12250	49.7
379.07990	3.5
380.09424	38.6
454.11453	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.6
56.05032	4.8
58.06618	9.6
58.99584	6.3
61.01149	3.6
67.05524	2.8
68.05042	3.1
69.07072	1.7
70.06593	6.1
71.40833	1.4
73.01154	8.3
74.00675	18.4
74.02460	1.9
76.02232	13.8
76.04006	3.4
79.22525	1.6
80.12521	1.7
82.06589	2.4
83.06133	1.7
84.04510	100.0
84.08148	5.5
85.04038	3.2
86.09727	1.5
92.01685	2.6
96.08142	21.1
99.02681	24.3
101.04251	2.0
104.98315	28.7
107.99391	5.0
112.03979	15.7
113.03481	2.6
114.03778	1.9
116.01700	7.7
116.05327	39.7
116.07085	13.2
119.97845	1.5
124.07600	21.0
126.09160	4.8
129.06647	2.1
130.05011	39.6
130.99857	2.4
131.04552	5.6
142.03244	4.0
142.08655	17.3
144.01163	3.1
145.06087	4.1
147.02954	8.0
148.02477	9.5
156.06683	1.7
160.00674	3.3
162.02194	8.6
170.02823	1.4
170.08134	90.5
174.00458	2.1
177.03291	22.7
179.04871	27.4
182.06476	1.5
185.03844	1.8
188.02141	3.1
202.05344	26.3
211.02094	14.8
213.12396	3.8
219.08003	71.3
229.06448	1.5
231.04524	1.5
245.05934	1.9
251.05231	28.9
263.00815	1.5
273.09146	8.7
279.04675	1.4
285.03864	3.6
285.89578	1.6
291.06390	1.7
305.06113	9.0
306.07303	2.3
308.09100	4.1
325.07117	4.9
348.08014	3.3
348.12280	62.1
351.08664	3.0
368.67035	1.7
370.84396	1.7
379.08105	3.1
380.04834	2.9
380.09485	43.8
388.15408	1.6
389.07111	1.4
398.79846	1.6
454.11414	16.9
501.09421	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.5
56.05028	5.3
58.06612	11.5
58.33882	1.1
58.99599	8.5
61.01159	6.9
67.05518	1.4
68.05022	2.9
69.95087	5.1
70.06593	6.7
70.60237	1.4
73.01148	11.4
74.00674	20.5
74.02461	1.8
76.02235	9.8
76.03996	3.3
77.54240	1.3
80.05021	1.2
81.07058	4.5
82.06582	2.0
83.06094	1.8
83.07387	1.7
84.04512	100.0
84.08152	10.6
85.04031	5.0
92.01707	3.7
96.08141	27.2
98.21417	1.7
99.02688	18.4
101.04246	3.4
104.98325	32.4
107.99422	9.5
110.06065	1.9
112.03978	15.1
113.03519	2.6
113.04263	1.4
115.05807	8.2
116.01699	6.2
116.05324	31.2
116.07082	10.7
124.07607	23.2
126.03739	1.7
126.09142	4.1
127.02118	1.7
129.06573	2.0
130.04036	2.4
130.05017	41.0
131.04514	7.3
142.03241	4.0
142.08640	15.5
144.01114	3.1
144.04811	1.6
145.06062	3.7
147.02992	9.1
148.02467	7.9
153.88443	1.2
156.05093	1.2
156.06514	2.5
160.00638	2.0
162.02226	8.9
170.08147	97.4
174.00414	3.6
177.03326	25.6
179.04866	21.0
181.06088	3.3
182.06410	2.3
183.07561	1.5
185.03949	1.5
188.02034	2.3
202.05344	19.5
211.02046	17.9
213.12341	5.3
217.06511	1.8
219.08006	54.7
227.08463	1.5
229.06453	2.2
231.04352	2.0
245.05933	1.9
245.09656	2.9
251.05226	37.8
273.08990	5.4
274.47269	1.3
285.04010	6.4
288.06644	1.6
305.06195	9.4
306.07230	1.3
308.09213	3.0
325.07071	6.4
330.11206	2.4
340.06345	2.1
348.12259	50.9
349.12485	1.5
351.08664	2.1
379.08221	3.5
380.09476	40.9
388.15460	1.6
413.01544	1.5
454.11319	18.0
455.12012	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48036	1.7
55.01873	7.2
55.45004	2.1
56.05033	2.6
57.02161	2.0
58.06605	13.4
58.99589	11.1
61.01166	3.1
64.99704	1.6
65.36038	1.5
67.05505	7.2
70.06589	5.6
71.00577	3.4
73.01152	16.7
73.05299	7.7
74.00661	3.3
74.02455	2.7
76.02225	13.2
76.04005	11.0
79.05479	2.5
81.07059	9.7
81.97735	1.4
82.06568	2.7
83.06133	2.1
84.04510	71.4
84.08144	2.1
86.09737	1.5
86.99046	1.8
95.29030	1.7
96.08140	2.7
98.06059	36.7
99.02677	32.4
99.05581	7.7
99.06321	1.5
100.02222	2.0
100.03472	6.4
100.07606	7.8
101.04229	3.2
101.07184	2.1
102.00111	2.1
103.06331	3.7
104.98385	1.6
105.05530	1.6
105.10736	1.9
106.98629	2.8
108.09485	1.7
109.20783	1.5
111.03185	1.9
112.04002	17.1
113.04247	3.0
115.05806	16.8
116.01679	7.1
116.05328	69.3
116.07079	17.5
117.03395	1.6
118.06868	8.1
124.07639	3.7
126.04585	2.6
126.05518	54.6
127.08657	3.1
128.02905	8.2
128.05811	4.9
129.04234	7.1
129.06570	1.7
130.03313	2.6
130.05008	47.4
136.95457	2.0
141.06584	1.9
142.03154	1.8
142.05013	1.7
142.08658	2.2
145.02872	2.1
145.06099	10.5
146.06868	13.6
147.02966	2.9
147.07646	11.1
153.06621	3.2
156.06596	14.0
158.02800	3.0
160.00598	3.2
162.02290	5.1
170.08141	13.6
171.07623	1.9
173.09238	57.9
173.10762	3.1
177.03304	4.2
177.05490	4.8
179.04910	5.8
179.17090	1.9
182.06624	5.0
196.04370	2.5
199.07072	7.7
200.07854	2.1
201.08723	33.6
201.10439	2.8
202.05385	33.1
203.05872	1.7
204.06850	1.6
205.06483	1.7
206.08998	5.6
206.19337	1.7
210.01329	4.2
212.07930	3.5
217.06447	2.2
219.07994	100.0
243.04417	2.0
247.11110	9.9
257.10117	5.3
258.08459	2.2
273.09146	4.4
274.10416	14.6
275.11111	48.7
284.03253	26.6
290.09897	2.8
306.07605	8.0
307.10629	9.6
338.04269	8.6
339.05566	14.4
348.12216	38.9
349.13086	11.2
381.11856	2.9
383.87030	1.6
394.12076	1.5
413.07455	64.8
414.08252	2.0
491.24338	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	517.3893
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03937	2.5
55.01898	1.1
55.05301	1.0
55.05517	11.9
57.03437	3.2
57.07055	2.6
60.17503	0.9
63.52027	1.0
65.03943	2.0
67.05168	1.8
67.05509	27.6
69.07074	13.5
69.32330	9.0
71.04993	2.8
79.05060	1.7
79.05501	23.0
81.07065	35.1
83.04959	1.4
83.08634	6.7
84.08984	1.0
91.05489	18.7
93.07061	23.6
93.32055	1.0
95.04989	2.4
95.08620	30.2
95.09242	2.1
97.06534	2.4
97.10185	3.4
98.20772	2.0
105.07031	21.5
107.07914	0.9
107.08606	21.0
109.06537	1.4
109.10171	10.1
111.08082	2.0
111.11670	1.2
117.07056	7.6
119.08592	22.3
121.10155	13.5
123.08080	1.2
123.11732	3.5
125.09627	1.2
129.07025	3.4
131.08571	17.9
133.09221	1.7
133.10150	15.7
135.11700	7.8
137.09648	1.3
143.08566	6.2
145.10133	14.0
147.11699	10.9
149.09633	1.5
149.13258	7.1
153.68915	1.2
155.08562	2.3
157.10179	5.8
159.11690	12.3
161.13284	7.1
163.14870	3.4
166.84378	1.2
169.10164	2.7
171.11649	6.8
173.13333	8.1
175.14880	3.2
183.11780	2.1
185.13274	3.5
187.14857	4.7
191.14299	1.4
199.14868	4.0
201.16466	3.5
203.18037	2.1
205.15948	1.2
213.16528	1.4
227.18181	1.2
236.90977	1.2
241.18008	3.4
255.19687	1.4
257.19116	1.6
259.20642	3.3
263.20163	1.6
271.20706	1.1
273.22000	2.2
287.23795	3.2
299.23700	2.3
301.25323	1.8
315.23383	1.4
327.26904	2.1
331.26260	1.6
333.24649	1.5
407.28345	1.2
407.33234	4.6
425.34158	13.2
443.35324	8.2
499.37872	19.3
517.38916	100.0
518.39246	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	517.3894
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.02357	1.2
53.03935	3.2
55.01876	1.9
55.05515	15.4
57.03428	5.2
57.07085	3.1
65.03930	1.5
67.05169	2.6
67.05507	32.4
67.50058	1.0
69.07069	15.2
71.04996	2.1
71.13833	3.0
72.21151	1.1
79.05501	28.9
81.06576	2.1
81.07060	37.7
83.04983	1.6
83.08627	8.5
85.06528	1.3
89.97423	1.3
91.05479	19.6
93.07050	31.3
95.04991	2.0
95.08619	31.3
95.09231	1.7
95.17001	1.2
97.06535	2.1
97.10176	4.1
99.08153	1.3
105.07042	25.1
107.08606	21.3
109.06557	1.6
109.10162	14.4
111.08083	2.4
117.06997	8.4
119.08592	26.2
120.18828	1.0
121.10147	18.8
123.11726	5.1
125.09702	1.5
129.07019	4.7
131.08580	18.7
133.10141	19.9
135.11702	10.1
137.09631	1.4
143.08556	8.5
145.10127	18.3
147.11697	13.3
149.13234	6.7
155.08572	2.0
157.10158	8.7
159.11690	14.1
161.13268	8.4
163.14850	2.1
169.10207	3.9
171.11690	7.2
173.13197	11.2
175.14868	4.8
179.08598	1.2
183.11732	3.9
185.13246	5.9
187.14764	6.4
189.16440	3.0
191.14317	1.3
197.13321	3.7
199.14893	4.2
201.16354	2.9
203.14337	1.5
211.14854	2.6
213.16443	3.2
231.17529	1.4
241.17966	2.2
243.80666	1.2
245.19113	1.4
259.20651	3.7
273.22223	3.1
287.23703	2.6
299.24005	3.1
301.25162	2.0
313.25110	1.6
327.26779	1.5
333.24408	3.4
337.25470	1.4
343.26602	1.7
383.29141	1.4
407.28232	1.5
407.33182	5.5
425.34225	14.4
443.35184	6.5
461.36877	1.8
499.37894	18.0
517.38953	100.0
518.39417	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	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03936	2.0
53.11243	0.7
55.01876	1.2
55.05514	10.8
57.03445	3.9
57.07076	3.0
65.03946	1.2
67.05509	26.9
68.78440	0.6
69.07069	11.6
69.53848	4.0
69.54255	1.8
71.04990	2.1
77.03918	0.8
79.05493	19.3
81.06577	1.6
81.07063	33.9
83.05015	0.9
83.08621	7.5
85.06549	1.9
91.05483	18.7
91.53738	0.8
93.07054	26.3
95.05000	1.8
95.08614	26.1
97.06559	3.6
97.10178	4.0
99.08089	1.1
103.05453	0.7
105.07038	20.6
107.08602	16.1
109.06543	1.1
109.10159	11.9
111.08122	1.4
113.04257	0.8
113.09650	0.8
117.07010	5.4
119.08587	21.4
121.10146	14.3
123.11702	4.6
125.09590	1.1
128.06168	1.1
129.06996	3.8
131.08560	14.1
133.10138	16.5
135.11699	7.2
141.06995	1.3
142.07857	0.9
143.08574	3.9
144.09340	1.0
145.10124	17.0
147.11696	12.0
149.13237	6.5
155.08563	2.1
157.10152	5.6
159.11705	10.9
161.13284	7.9
163.14882	1.7
165.12825	1.2
169.10181	3.3
171.11621	5.6
173.13293	7.2
175.14810	5.1
177.12778	0.9
177.16426	1.6
183.11792	2.9
185.13280	4.0
187.14841	4.5
189.16492	1.6
191.14337	1.2
197.13260	2.8
199.14845	2.8
201.16449	2.9
211.14839	2.0
213.14673	1.0
213.16426	3.0
215.14481	0.9
215.17949	2.0
219.17284	0.8
227.18002	2.2
233.19086	0.9
241.17967	2.6
241.20044	1.0
257.18964	1.0
259.20694	3.5
273.22095	1.8
283.20938	0.9
285.22266	1.6
287.23737	1.4
291.23434	0.8
295.23532	1.0
299.23718	1.1
301.25421	1.7
313.25208	1.0
317.24573	1.1
327.26904	1.6
331.26343	1.0
333.24323	2.2
343.26297	1.3
347.25717	0.8
355.26059	1.0
375.28818	0.9
387.86465	0.8
405.30093	0.9
407.33264	4.6
419.31830	1.1
425.34137	12.7
443.35178	6.7
459.34763	0.9
481.36633	1.5
499.37839	19.8
499.43436	0.7
517.38940	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	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63491	2.4
53.03946	2.8
54.18905	2.3
55.05515	10.5
67.05515	19.0
69.03423	14.0
69.07076	18.5
70.06590	11.5
70.82285	4.5
70.82620	4.8
71.04988	4.5
72.08170	3.9
73.01127	3.2
74.05226	2.4
74.30544	2.4
79.05502	2.7
81.03423	6.6
81.07061	21.1
83.04993	8.4
83.08609	7.9
84.08154	5.6
85.02915	20.5
85.06507	3.3
86.09711	9.1
91.05498	5.5
91.76893	2.6
93.07045	10.9
95.04964	3.2
95.08612	31.6
97.02886	7.7
97.06561	3.9
99.04462	10.7
99.08085	4.9
103.03996	12.7
105.07036	6.7
107.05029	3.8
107.08569	22.1
108.08888	2.5
109.02874	3.2
109.06512	9.2
109.10171	98.7
110.10534	2.7
111.08061	6.5
113.04220	7.5
119.08589	35.4
120.08118	3.5
121.10130	9.9
123.08090	12.1
123.11737	7.4
127.03928	27.9
129.10266	4.8
133.10167	24.6
135.11702	100.0
136.07632	2.5
137.09616	18.8
139.11203	2.7
140.24454	2.4
145.04988	12.8
149.13271	8.0
151.11174	11.9
151.14825	11.8
155.30081	2.4
163.06017	6.4
165.16429	3.2
175.14854	44.1
187.06094	3.0
193.15898	74.1
211.15083	4.4
211.16963	57.0
222.29999	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	517.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.9
57.41648	2.9
61.02919	3.8
63.68416	3.3
69.03439	15.9
69.81105	16.1
70.03756	3.8
70.99834	3.5
73.02916	3.5
84.08142	8.7
85.02919	38.6
86.03267	4.4
88.03990	4.2
97.02891	20.6
98.21509	3.2
98.97581	4.3
101.00890	9.7
109.02859	4.4
113.00891	5.6
115.03960	3.0
119.01934	18.3
127.03927	21.3
128.98596	5.1
129.10242	10.4
131.01921	13.6
143.01907	7.3
144.02054	3.6
145.01682	5.8
145.03450	9.1
145.05011	11.1
146.99620	7.9
147.03230	6.1
155.01909	11.7
157.03439	6.1
161.02997	8.6
163.02718	4.4
165.00713	36.2
167.01974	5.4
169.01855	3.6
169.03635	3.5
173.02975	15.3
174.04547	4.0
174.54616	5.0
174.89639	16.1
175.02707	7.7
177.00671	6.8
177.02272	3.5
183.01758	3.4
183.05086	4.1
183.55180	4.4
185.02995	24.4
186.03278	4.6
187.02783	12.1
189.00685	32.5
191.03960	6.4
193.00151	7.0
193.03839	5.2
197.02943	8.6
199.02757	3.5
201.00723	7.8
205.03656	3.3
207.01677	19.4
211.01201	11.5
215.04015	4.4
217.00211	11.5
219.01772	8.4
221.05060	3.8
235.01208	100.0
243.01808	7.0
245.05101	35.5
246.05319	15.3
247.01248	16.1
247.04802	25.4
253.02281	43.5
255.07100	7.4
255.57269	12.5
256.07388	8.6
257.05191	3.8
263.06100	6.1
264.07602	12.2
264.57843	24.1
265.02322	10.1
265.07947	6.0
295.03345	26.2
305.07352	6.7
307.06982	5.6
319.03339	9.6
337.04370	64.6
345.60226	4.9
355.05389	91.2
365.09354	4.3
367.09219	10.1
517.10657	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	516.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08614	0.4
55.05511	1.0
56.05039	1.2
57.05810	0.7
58.06589	1.1
60.04523	0.8
61.96200	0.5
66.08639	0.4
66.33514	0.4
67.05507	0.5
68.05037	0.5
68.93616	0.4
69.03414	0.8
69.07071	9.2
70.02955	0.6
70.06593	8.0
71.55509	0.4
72.08154	9.1
73.01144	0.5
73.02896	0.5
74.00649	0.5
74.06084	1.1
76.04034	0.5
81.07085	0.6
83.06087	0.7
83.08573	0.5
84.04516	3.5
84.08150	5.5
85.02903	1.2
85.04050	0.7
86.09708	100.0
87.10043	1.1
88.03986	4.0
91.05497	0.6
93.07070	0.6
96.08139	1.3
97.02869	0.7
102.05553	0.7
110.07160	2.4
113.04269	1.2
113.10765	0.4
115.05089	0.6
115.08732	0.4
116.05330	0.5
116.07085	1.1
118.08674	3.6
120.08122	2.8
121.25011	0.5
124.03993	0.5
125.17368	0.4
129.10254	6.1
130.05032	0.9
130.93356	0.4
133.06036	0.5
136.07590	1.1
138.09161	0.8
141.10254	4.1
142.08640	0.6
143.11819	1.6
145.06113	1.7
153.05437	0.5
156.10208	7.4
157.16019	0.6
166.08592	0.5
171.11307	6.5
175.10777	4.1
179.04961	0.5
183.11317	2.2
184.09680	1.1
185.09766	0.5
185.16530	0.6
189.12495	0.5
199.18071	0.7
201.12352	32.7
202.12523	0.5
215.05457	0.6
223.02136	1.2
227.17543	0.8
229.11844	25.3
238.34816	0.4
243.17171	0.7
256.93051	0.4
270.18002	0.6
284.19696	0.5
288.19217	12.4
300.15421	0.7
308.50412	0.5
312.19156	1.7
342.20212	5.2
371.23035	0.5
387.05093	0.5
399.22171	2.3
516.30261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30597	0.6
56.93577	0.7
56.96558	1.2
57.03445	0.9
67.94335	0.7
69.03416	1.8
70.06577	1.0
70.99751	1.7
81.03465	0.8
82.01444	1.6
82.99850	0.9
84.02999	3.3
85.02898	2.6
97.02892	1.8
98.97581	2.7
100.02480	2.0
100.99112	1.1
101.00883	4.7
101.03231	1.0
102.04052	6.9
110.97508	0.9
113.00838	1.8
115.02428	0.9
115.18938	0.8
116.98660	0.9
118.03532	1.4
119.01926	6.8
119.04333	0.9
119.75390	0.9
120.01939	1.1
120.05092	2.6
120.98096	1.6
121.19894	0.9
126.03226	0.8
126.03958	4.3
127.02396	1.4
127.03932	1.5
128.98599	1.5
131.01932	7.0
133.03421	0.8
137.03011	0.9
138.04018	1.2
143.00114	0.9
143.01912	6.2
144.01999	1.8
144.05083	10.3
145.03490	4.6
145.04675	0.9
146.01192	1.8
146.03568	2.1
146.99612	3.5
147.01416	0.9
148.02777	9.3
149.02994	1.2
153.02701	1.1
154.98592	6.1
155.01874	6.0
156.02016	0.9
156.05058	4.8
157.03477	2.8
158.03629	1.0
158.99634	1.7
161.02939	5.3
162.03108	1.8
164.02260	3.5
165.00697	11.3
166.03851	11.0
167.01895	3.8
169.03532	0.9
170.02991	3.2
170.99675	1.0
171.01320	0.9
171.05042	1.0
172.99709	6.2
173.00984	1.1
173.01678	0.8
173.02940	6.4
174.03200	1.7
177.00642	1.9
179.02040	0.9
182.02991	7.6
182.99664	0.8
183.01732	3.5
183.05055	1.1
185.02937	11.6
186.03088	3.7
187.04543	1.0
188.03996	5.7
189.00720	4.8
190.98677	1.6
191.02277	1.3
191.03976	1.2
192.01767	15.0
192.04190	1.3
197.02963	3.1
198.03130	2.1
200.04048	6.1
201.00671	3.5
202.01129	1.4
203.03989	3.1
204.04160	1.0
207.01773	2.6
208.99783	0.9
209.97365	0.8
210.02806	16.4
215.03928	2.2
216.01909	0.7
216.04210	1.1
217.00114	1.6
218.05132	0.8
219.01764	3.3
220.02017	1.2
224.04082	1.5
227.04057	1.7
228.04179	0.8
230.05264	0.9
232.99721	1.1
233.05145	1.3
234.02826	100.0
235.01157	9.2
235.02972	0.8
237.02927	1.5
245.05119	16.7
246.02814	11.2
246.05283	10.8
247.01097	1.8
252.03883	3.8
253.02258	3.0
255.07130	2.3
258.02902	1.6
261.02689	1.6
263.06110	4.4
264.03976	6.4
264.06366	1.1
264.07947	1.2
265.02185	0.9
270.02802	2.8
272.06216	3.6
275.06119	2.1
276.03888	1.6
276.06363	3.0
288.03903	1.2
290.07196	3.3
294.04926	21.5
295.03281	1.4
305.07114	1.6
306.07477	2.7
318.04880	2.4
319.03171	1.2
336.05960	27.6
336.09814	1.4
337.04102	4.8
345.09448	0.9
353.03625	0.9
353.08923	1.0
354.07068	36.0
355.05273	5.8
365.09238	2.4
366.09570	3.1
368.71396	0.8
389.40454	0.8
452.12555	4.4
516.12592	12.0
517.10809	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	516.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17289	1.7
55.01871	15.4
55.05501	2.4
56.05025	6.0
58.06606	20.1
58.99578	6.4
60.04507	1.4
61.01141	6.8
67.05501	3.6
68.05017	6.8
69.03413	2.6
69.07069	52.3
70.06248	2.3
70.06596	27.8
71.04546	3.7
72.07861	1.4
72.08161	14.5
73.01137	20.5
74.00282	2.3
74.00670	34.4
74.01367	1.4
74.01884	2.1
74.02450	3.2
74.06082	2.0
76.02229	9.1
76.04005	6.1
79.05527	1.7
81.03394	1.7
82.06582	3.7
83.06100	5.5
83.07355	4.0
84.04507	79.2
84.08144	25.1
85.02895	2.9
85.04033	13.5
86.09711	20.6
88.03998	2.0
92.01696	5.9
96.08131	15.1
97.01111	1.6
97.06528	2.0
99.02688	31.8
101.04237	3.5
102.05507	1.5
104.98322	18.8
107.99406	6.7
109.07674	1.6
109.76641	1.5
110.07161	6.4
111.02681	3.2
112.04023	25.3
113.03471	5.5
113.04215	4.2
116.01671	6.2
116.05322	47.7
116.07092	26.5
120.08092	4.9
124.07612	14.6
124.13834	1.6
125.02409	1.9
126.41519	1.8
127.02234	1.9
127.08755	1.5
129.06642	9.4
129.10236	6.2
130.05009	56.7
130.71034	1.3
130.99829	3.2
131.04512	15.4
137.00887	12.0
142.03304	1.7
142.08617	9.4
144.28539	1.7
145.01434	2.9
145.03223	3.3
145.06099	3.0
148.01430	2.0
148.02515	20.3
155.08157	4.4
159.02205	2.8
159.09154	2.8
160.00620	4.2
162.02229	4.9
168.98184	2.6
170.08134	62.0
177.03290	53.5
179.04861	8.2
181.06079	6.7
185.03812	8.5
188.02029	3.4
202.05338	28.4
208.99416	2.5
209.01259	34.3
211.02069	10.6
213.12318	6.6
217.06480	1.5
219.07993	67.7
224.67357	1.4
231.04340	19.2
234.02550	2.9
250.04216	1.4
251.05203	100.0
259.05655	2.1
270.90643	1.4
273.09140	7.0
281.01614	1.8
284.02695	6.2
288.06390	5.1
305.06232	22.7
306.07315	2.6
330.11252	2.0
348.12244	10.0
380.09442	15.7
387.05334	31.6
432.93271	1.8
441.06409	22.6
488.29297	1.8
498.08505	2.3
516.09393	2.9
516.23309	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	516.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43890	1.0
55.01873	16.5
55.05506	2.0
56.05032	5.6
56.56466	1.2
57.49399	1.0
58.06601	23.3
58.99594	8.3
61.01149	6.0
65.03962	1.8
67.05495	3.1
68.05029	3.5
69.03430	1.2
69.07070	45.6
70.02966	1.2
70.06589	17.1
71.13966	2.6
72.08154	6.5
73.01150	18.3
74.00672	37.0
74.01939	1.3
74.02439	2.9
76.02237	7.6
76.04005	4.9
81.03394	1.3
81.07024	1.7
82.06583	4.2
83.06110	5.5
83.07355	3.1
84.04507	71.2
84.08143	15.9
85.02914	2.5
85.04034	15.2
85.37616	1.0
86.09724	9.2
86.99036	1.2
92.01737	5.5
96.08131	15.0
98.09721	1.3
99.02684	28.1
101.04236	3.7
102.05517	1.4
104.98322	18.5
105.65031	1.0
107.71381	1.0
107.99386	6.7
109.07652	2.1
110.03846	1.0
110.06039	3.0
110.07191	1.6
111.02658	2.4
112.04020	22.5
113.03471	4.7
113.04198	2.3
114.03770	1.3
116.01677	6.5
116.05322	40.5
116.06255	2.5
116.07085	28.1
120.08084	2.3
124.07596	11.1
126.09145	2.8
129.06604	9.2
129.10233	3.7
129.99098	2.0
130.05014	57.3
130.99858	2.2
131.02759	1.6
131.04543	14.4
131.05418	1.8
134.21613	1.0
136.07555	1.1
137.00914	12.5
139.03233	1.6
142.03270	2.3
142.08615	8.9
144.01158	3.1
145.01419	4.6
145.03168	3.0
145.06123	2.5
148.02499	22.2
153.06548	2.1
155.08154	4.1
156.06552	2.3
159.02271	3.1
159.09212	1.7
160.00641	4.3
162.02234	3.1
168.98181	1.3
170.08121	50.3
174.00446	1.3
176.01982	2.1
177.03296	51.2
179.04866	6.0
181.06079	6.4
185.03842	9.0
188.01976	6.6
194.99657	1.5
199.07173	2.2
202.05350	23.1
209.01256	37.0
211.02069	10.4
213.12364	4.7
219.07997	64.8
227.04863	1.2
231.04350	23.2
234.02618	2.3
237.21703	1.2
251.05212	100.0
255.07947	2.6
256.09103	1.3
273.09064	7.6
284.02734	4.0
287.05234	1.5
288.06491	3.1
303.63876	1.1
305.06223	24.9
306.07486	2.1
317.06201	1.5
323.03809	1.9
348.12262	10.1
374.14691	1.6
380.09412	16.0
387.00662	2.3
387.05371	30.1
441.06421	22.8
498.08823	2.4
498.30692	2.7
516.09387	1.9
516.23438	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	516.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.6
58.06585	6.2
58.99579	16.9
60.08163	11.0
66.66534	5.6
67.05518	12.5
69.03443	31.2
69.03760	5.9
69.07072	21.9
70.06593	30.0
70.38725	18.1
70.66918	5.4
72.08153	13.9
73.01134	12.0
79.05490	6.6
81.07066	6.7
84.04494	6.4
84.08140	14.4
85.02915	50.3
86.09707	15.3
95.01337	57.7
95.04950	7.9
96.08171	5.0
97.06533	32.1
99.02658	8.2
100.11247	9.4
101.04246	21.5
102.05519	5.8
103.03952	6.6
110.07135	5.6
111.02638	13.2
111.04449	5.2
111.34813	5.3
112.03469	33.8
113.04226	100.0
113.04958	7.9
113.06028	5.6
120.08162	5.9
120.97699	5.1
125.06001	62.0
126.02496	19.5
129.03729	24.8
129.10258	11.4
130.04515	16.2
131.05281	16.6
143.07071	8.7
143.16531	5.6
145.01411	36.9
153.05470	62.6
154.96539	9.5
162.05911	9.3
163.02475	10.2
168.13847	5.7
176.98730	7.5
185.09825	94.1
187.06009	7.3
194.99684	93.1
197.04565	5.4
215.05504	83.4
285.01031	21.5
409.04547	65.6
472.07043	15.1
499.05807	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	516.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.2
58.99578	13.7
59.90157	7.3
62.73253	7.7
64.45712	8.1
67.05506	15.2
69.03422	34.4
69.07079	17.0
70.06585	30.9
70.20928	34.0
72.08164	19.0
73.01117	14.6
79.05446	8.1
84.04517	14.7
84.08130	22.7
85.02909	32.7
86.09698	34.7
87.04446	11.9
91.05511	9.1
95.01318	57.8
95.04952	9.1
97.02877	11.2
97.06525	30.1
99.02695	8.2
101.04229	28.7
105.07092	8.1
105.70790	7.4
107.08601	8.6
108.50917	8.3
111.02689	13.2
112.03451	33.1
113.04246	96.6
120.08075	19.8
125.06004	33.1
129.03702	19.2
130.04524	11.9
133.10135	20.5
134.10461	15.7
137.09612	14.0
145.01414	20.0
153.05453	31.7
194.99675	100.0
215.05548	34.9
285.01093	25.1
297.22586	8.6
335.73734	8.5
409.04321	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59880	7.4
56.90092	6.2
58.99581	14.0
59.68722	5.4
67.05505	8.6
69.03431	32.9
69.07051	20.0
70.06593	39.7
71.35680	6.1
71.56030	9.3
72.08141	15.6
73.62727	6.3
78.07072	5.8
82.16567	6.3
84.04487	9.5
84.08135	20.6
85.02891	32.0
86.09689	21.4
87.02728	6.6
92.90485	5.9
95.01332	81.5
97.06540	31.2
101.04270	29.0
110.07139	6.7
111.02666	15.0
112.03440	42.4
112.44983	6.8
113.04234	90.1
120.08086	9.8
125.06014	46.7
129.03699	22.1
129.10243	14.1
130.04457	20.5
131.05295	15.6
145.01422	34.7
153.05469	42.4
163.02449	10.2
185.09659	8.9
194.99701	100.0
215.05508	41.3
222.38913	6.3
285.01016	38.3
409.04465	71.5
499.06036	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	516.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68938	2.9
57.03441	6.3
58.99588	8.5
61.89935	3.3
63.03718	3.3
67.05505	5.8
69.03432	30.8
69.07062	13.4
69.90968	16.1
70.06615	15.2
73.01155	6.1
79.05490	8.4
84.04493	6.3
84.08137	4.8
85.02910	33.2
86.09711	6.3
93.30003	3.0
95.01331	52.6
95.04974	9.8
97.06540	31.7
98.21458	3.8
99.02689	9.3
101.04257	22.6
103.03928	7.9
111.02688	10.7
112.03461	37.8
113.04242	96.8
125.05994	51.0
125.77225	3.0
127.03876	5.0
129.03705	15.1
129.10225	3.8
130.04494	14.4
131.05301	8.8
133.01436	7.7
141.05472	4.2
142.99847	7.8
143.07056	6.6
145.01419	35.4
151.89693	3.4
153.05496	39.2
154.96545	3.1
161.00929	4.7
162.05792	5.1
163.02472	8.7
194.99687	100.0
196.04393	3.3
215.05527	47.3
285.01141	13.1
332.25818	3.3
409.04471	78.7
499.05615	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	516.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77305	2.9
55.05512	3.5
57.02456	3.4
57.03432	2.9
58.24117	2.7
58.99566	6.5
61.01149	4.5
67.05490	7.0
68.43506	3.1
69.03439	16.8
69.07052	12.1
70.06602	27.0
71.54987	6.4
72.08147	8.3
73.01133	6.9
79.05496	7.9
84.04504	7.4
84.08150	16.4
85.02903	14.7
86.09707	20.0
87.04456	4.0
95.01363	22.1
95.04994	5.0
96.05676	2.8
97.01110	4.1
97.06532	14.4
99.02680	6.5
101.04232	9.5
103.05477	2.7
104.98328	6.4
110.07182	5.8
111.02692	10.7
112.03441	27.7
113.04246	72.6
120.08102	8.6
125.06006	18.1
126.02492	2.9
129.03711	9.2
129.10271	4.4
130.04504	11.0
131.05249	8.4
136.83931	3.4
142.99873	5.3
143.07088	5.2
145.01445	17.2
153.05522	15.1
161.00912	3.6
163.02524	4.2
164.11401	3.0
177.05553	3.8
185.09805	16.3
194.99693	100.0
214.59006	3.0
215.05540	20.5
231.27000	3.3
285.01178	7.1
393.43417	3.7
409.04462	44.0
413.07520	3.1
472.07379	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.05519	23.9
57.03445	7.8
60.38007	5.7
61.02907	6.8
62.43536	4.4
65.91759	4.7
67.05512	92.5
67.13557	3.9
69.03423	15.6
69.07072	25.6
71.16656	11.1
79.05494	62.1
81.03425	19.1
81.07063	100.0
83.04974	5.8
83.08625	12.8
85.02908	16.5
91.05500	46.4
93.07052	73.9
95.04956	13.1
95.08615	80.8
97.02916	8.1
97.06515	6.4
99.08138	5.5
105.07056	40.4
107.08593	42.7
109.06545	12.2
109.10173	39.4
117.07054	24.1
119.08581	36.3
121.06467	6.0
121.10149	40.7
123.11725	18.0
129.06996	10.0
131.08585	41.5
132.53389	4.8
133.10118	28.9
135.08099	5.0
135.11711	22.8
137.09589	5.8
137.13315	8.8
143.08604	6.4
145.10127	34.4
147.08063	6.6
147.11711	22.6
149.13272	23.8
149.45026	5.4
157.10147	18.5
159.11787	24.0
161.09657	5.2
161.13284	20.2
163.14812	15.9
171.11684	8.6
173.13303	16.7
175.14815	6.6
177.16408	6.4
185.13321	5.9
187.14810	7.5
201.16345	6.1
243.21095	24.3
261.22125	63.8
301.21500	7.2
317.24863	5.3
335.25876	13.7
340.01999	5.4
345.24115	13.3
353.26770	21.0
365.26791	5.7
369.24103	14.8
387.25427	10.0
392.53586	5.8
405.26675	8.5
419.28070	7.3
461.28854	6.0
497.30865	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70015	3.0
53.03945	4.3
55.01854	3.1
55.05515	17.3
57.03439	6.3
61.02912	5.0
65.03941	4.6
67.05512	81.0
69.03425	10.0
69.07072	19.9
69.30378	32.1
79.05499	66.1
81.03403	5.6
81.07066	100.0
83.04983	4.0
83.08611	13.3
85.02901	7.9
85.06531	4.4
91.03986	3.5
91.05489	37.2
93.07050	70.3
95.04945	8.0
95.08611	64.0
97.02879	5.7
97.06506	4.7
99.08066	4.8
105.07036	37.3
107.08595	48.9
109.10169	35.2
111.08057	3.9
117.07001	18.0
119.08616	23.1
121.10143	42.8
123.11727	19.5
129.87836	3.2
131.08575	29.9
133.10104	28.0
135.07997	4.4
135.11705	29.6
137.13231	6.4
139.11156	3.9
145.10143	18.9
147.11678	19.9
149.13300	20.3
159.11707	19.4
161.13280	15.6
163.14812	16.3
165.12756	4.4
166.45001	3.3
171.11600	4.0
172.21793	3.6
173.13249	24.5
175.07539	3.7
175.14894	4.7
185.13159	4.4
187.14819	11.4
189.21614	3.2
198.36829	3.8
205.15720	3.7
233.22687	4.9
243.21138	25.6
261.22156	77.7
279.23245	4.6
301.21555	4.3
313.80368	3.9
321.52802	3.4
335.25873	9.5
345.24521	4.5
353.26782	12.9
497.30756	4.7
542.31946	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	21.4
57.03426	13.5
59.61337	4.0
61.02928	5.9
67.05186	5.8
67.05513	90.3
69.03424	18.5
69.07073	24.5
71.16895	8.8
75.72990	4.1
79.05499	48.3
81.03425	8.8
81.07062	100.0
83.04989	8.0
83.08624	11.4
84.28057	4.8
85.02902	10.4
87.14839	4.4
91.05485	29.9
91.15448	4.4
93.07043	57.4
95.04987	10.7
95.08603	79.5
96.46349	4.3
97.02946	5.1
97.06506	10.2
97.10192	5.3
99.08079	6.1
105.07020	33.8
107.08608	44.6
109.06506	11.8
109.10182	32.3
113.04250	12.5
115.16401	4.7
117.07009	19.5
119.08606	22.8
121.06485	5.1
121.10172	37.4
123.11722	19.7
131.05255	19.5
131.08569	30.5
133.06418	4.6
133.10112	21.1
135.11720	26.3
137.13287	7.8
143.08549	7.3
145.10130	18.6
147.11667	17.4
149.09694	5.6
149.13240	18.5
154.19325	4.5
157.10228	5.8
159.11667	19.0
161.13264	12.0
163.14839	6.0
169.10130	7.3
170.95970	4.5
173.13264	22.1
177.12822	5.2
187.11324	4.9
215.05309	4.8
243.21033	15.3
261.22141	52.5
268.90866	4.7
273.22308	6.3
301.21680	7.5
303.23285	8.6
335.25995	22.2
345.24307	8.3
353.26859	13.3
363.25873	4.7
369.24307	12.4
419.27759	9.7
427.28018	5.7
479.30145	5.2
497.30786	7.6
516.63800	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01873	3.7
55.05516	22.2
57.03420	6.9
57.07072	3.6
61.02911	5.0
61.81544	2.1
64.78905	2.0
65.03945	3.3
67.05509	100.0
69.03407	6.6
69.07072	21.9
69.30590	21.2
69.47198	2.5
71.04986	4.6
73.02894	3.6
77.03902	2.5
79.05495	48.2
81.03413	5.5
81.06580	4.5
81.07062	89.0
83.04992	3.1
83.08617	8.9
85.02896	7.6
85.06527	3.7
91.03947	4.0
91.05482	35.4
93.07050	63.2
95.04964	8.2
95.08614	70.1
97.02896	3.3
97.06518	6.0
97.10148	5.5
99.04449	3.2
99.08123	3.1
105.07043	25.7
107.08603	35.1
109.06531	5.6
109.10157	31.7
111.08064	2.9
117.06989	12.0
119.08573	21.1
121.09320	3.1
121.10138	34.0
123.08070	4.1
123.11713	17.4
125.09616	4.6
129.07014	3.7
131.08575	21.5
133.10114	14.8
135.11714	26.4
137.13329	5.5
139.11134	2.3
143.08543	4.2
145.10124	18.4
147.11693	16.4
149.13228	15.9
150.13400	2.4
157.10052	2.1
159.11734	11.1
161.13272	10.6
163.14859	11.7
165.12753	2.7
171.11748	3.5
171.92177	2.1
173.13264	12.2
175.14828	3.0
177.12784	3.6
177.16443	6.2
179.14261	2.8
183.74554	2.2
185.13252	3.8
187.14812	7.9
215.17891	2.0
233.22549	3.1
243.21158	21.7
259.20715	2.7
261.22144	59.4
279.23215	5.4
285.60526	2.3
301.21454	3.5
303.23151	4.4
315.23706	2.4
332.29794	2.6
335.25925	18.4
345.24377	3.8
353.26883	13.9
369.24106	4.4
387.25143	2.4
405.26508	2.6
419.27725	4.5
479.29938	3.0
497.30829	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	515.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78542	0.6
67.05495	1.4
69.46939	5.9
81.07030	0.9
87.53705	0.8
91.05475	1.1
102.48730	0.7
105.07030	1.0
107.08600	0.8
114.44015	0.8
119.08610	1.2
121.10158	0.7
129.95946	0.8
147.11644	0.8
259.08099	0.8
515.31927	100.0
516.32092	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
57.07079	0.4
67.05503	1.3
69.07063	0.5
70.61771	1.3
79.05495	1.2
81.07038	1.2
83.04996	0.6
89.06026	0.4
91.05478	0.9
93.07043	1.0
95.08597	0.7
97.10255	0.4
105.07035	0.5
107.08598	0.8
109.10161	0.5
119.08562	0.5
126.35214	0.4
131.08540	0.4
135.11710	0.4
141.08813	0.3
143.08670	0.4
145.10207	0.5
145.61375	0.4
234.93787	0.4
260.17831	0.4
266.58694	0.5
352.81851	0.4
420.99557	0.4
514.50623	0.5
515.31915	100.0
516.32001	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34436	1.1
56.45588	1.0
58.39114	1.1
63.05275	1.0
64.43600	1.1
69.03429	2.0
70.06606	2.9
71.54328	1.7
85.02912	3.8
86.09729	1.3
91.05480	3.2
98.97569	1.3
105.99017	1.5
112.99753	1.2
115.05424	2.3
117.05820	2.2
117.07033	1.2
118.06549	19.6
130.06512	3.8
132.08110	10.3
134.11957	1.4
142.06525	2.4
143.07370	1.7
144.08099	12.9
146.04831	1.6
146.06024	58.7
159.09203	5.2
170.06052	5.4
188.07076	100.0
205.09741	40.3
205.11685	1.7
237.13686	1.6
238.68637	1.2
263.05969	1.3
389.02893	1.2
515.12927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93555	1.5
53.03942	1.5
55.05521	2.3
57.03426	4.7
58.99587	15.3
61.01125	2.1
65.03952	4.0
67.05508	9.0
68.06293	1.8
69.03069	2.8
69.03429	34.4
69.06721	2.9
69.07070	35.7
70.06582	5.8
70.13245	5.2
72.08137	2.1
73.01128	5.2
79.05511	12.7
81.07055	3.3
83.04976	1.7
84.08128	2.5
85.01114	2.2
85.02422	2.6
85.02911	35.1
85.03423	1.8
86.09702	5.0
86.99055	3.6
87.02708	9.1
87.04450	2.7
95.01336	58.4
95.04980	12.1
96.05757	8.0
97.01131	5.7
97.02888	2.3
97.05910	2.4
97.06536	41.2
99.02682	13.4
101.04250	41.3
103.03941	3.6
104.98269	2.5
107.01663	10.3
107.04938	2.8
109.10141	1.7
111.02677	24.5
112.03455	43.2
113.02451	2.9
113.04236	100.0
113.05961	3.0
114.05080	3.4
115.02149	11.0
120.08125	2.3
120.97771	5.3
123.04517	2.1
125.05995	49.1
127.02171	7.8
127.03909	5.1
129.03712	31.2
130.04488	44.2
131.05270	23.9
133.01425	26.7
135.60666	1.4
136.95515	7.0
141.05467	2.5
142.98903	1.8
142.99789	7.7
143.07011	5.3
144.00710	2.1
145.01424	20.0
153.05475	42.9
161.00969	8.2
167.00166	2.2
168.66273	1.6
171.08411	2.2
176.98624	29.8
180.99516	2.1
187.06013	2.7
194.99693	39.4
197.04446	2.0
215.05511	28.4
224.40460	1.7
263.72565	1.5
301.00626	35.1
350.63696	1.5
398.27826	1.6
459.26691	1.5
515.20422	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
55.05510	3.0
57.03439	7.1
58.99598	14.6
61.01163	4.0
65.03952	3.8
67.01897	2.4
67.05515	11.3
69.03439	35.9
69.07074	37.9
69.52533	5.9
69.52961	7.2
70.06612	16.4
72.08160	5.9
73.01149	6.6
79.05501	11.5
81.07044	2.5
83.01376	2.3
84.04530	3.4
84.08160	11.4
85.01115	2.4
85.02918	41.6
86.09711	9.7
86.99047	4.9
87.02720	7.8
89.99129	2.0
91.05506	3.3
95.01334	59.9
95.04979	8.0
96.05768	8.0
97.01109	3.0
97.02903	3.2
97.06544	40.2
98.21519	4.4
99.02726	12.3
99.04463	2.1
101.04254	39.0
101.27280	2.0
103.03940	2.7
104.98273	2.5
107.01653	9.7
109.02879	3.1
109.10143	3.9
110.07160	3.2
111.02674	20.3
112.03460	39.4
113.04237	100.0
114.05022	2.3
115.02183	5.9
115.03921	2.1
115.07530	2.7
116.98381	1.9
120.08130	5.9
120.97807	3.1
125.06004	42.6
125.06863	3.7
127.02164	6.7
127.03950	4.8
128.02948	2.5
129.03717	29.5
129.10245	4.0
129.15163	1.8
130.04498	46.0
131.05276	29.3
133.01428	27.8
136.95509	4.8
141.05498	3.0
142.99872	6.8
143.07120	2.2
144.00578	2.3
145.01390	23.6
153.05487	37.5
161.00894	10.7
167.00208	2.8
171.08374	2.9
176.98634	33.0
194.99678	41.6
201.09325	3.9
215.05499	26.9
301.00659	33.9
307.90875	2.5
353.27094	2.7
515.17010	2.5
515.28571	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05503	1.7
57.03440	3.1
58.99584	8.3
61.01159	1.6
67.05497	5.8
69.03432	17.7
69.07074	12.0
70.06586	1.6
70.33372	3.7
70.33756	2.6
73.01152	10.2
76.85616	1.4
79.05502	11.6
81.07058	3.7
81.60307	1.4
85.01131	1.9
85.02908	19.1
87.02694	1.6
93.07048	2.2
95.01340	29.9
95.04978	6.0
95.08621	1.7
96.05761	2.1
96.92414	1.3
97.01141	2.7
97.06536	12.7
99.02690	5.6
101.04240	15.8
103.97514	2.2
104.98339	6.9
111.02666	11.9
112.03458	25.4
113.04240	100.0
114.05018	4.9
115.02155	2.5
115.05739	2.9
119.08624	1.2
121.10162	5.4
125.06010	23.7
127.03959	2.2
129.03699	14.7
130.04524	7.3
130.99860	1.7
131.05257	9.8
133.01428	3.1
136.95483	4.8
137.24913	1.2
142.99844	2.7
143.07040	3.7
144.00652	3.2
145.01422	70.6
147.02977	9.8
153.05460	17.6
161.00928	3.0
163.57286	1.2
176.98599	5.5
187.06049	2.1
194.99686	25.1
215.05508	17.3
226.96881	3.5
242.67821	1.3
251.00560	6.3
267.00037	1.7
276.01904	1.5
300.98804	16.7
428.49170	1.1
488.18042	1.4
500.01138	1.5
515.03717	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.3
58.99591	9.4
61.01157	3.5
67.05519	3.7
69.03436	20.7
69.07086	9.0
70.06601	2.7
71.07681	2.6
73.01157	9.1
79.05497	8.7
80.90242	1.6
81.07076	2.8
85.01114	2.3
85.02914	23.2
86.09737	1.7
91.05386	1.9
95.00757	2.6
95.01340	37.2
95.04954	3.3
96.05746	2.2
97.01103	1.6
97.06544	11.4
99.02690	6.4
101.04266	13.5
102.23233	1.7
103.97527	1.6
104.98315	4.3
107.04977	2.1
111.02681	12.1
112.03473	23.5
113.04238	100.0
114.05040	4.0
121.10147	3.4
125.05161	2.7
125.06003	26.8
125.51540	1.5
129.03723	10.8
130.04459	6.3
130.99879	1.5
131.05263	12.1
133.01427	2.8
136.95490	4.2
142.99886	2.5
144.00635	3.4
145.01431	66.9
147.03001	9.6
152.92773	1.7
153.05490	22.9
161.00922	1.8
176.98634	6.1
187.06036	1.6
194.99696	25.6
206.95654	1.6
215.05539	17.6
226.96861	3.0
227.83884	1.4
251.00516	6.2
266.99689	1.6
300.98782	16.1
336.78073	1.6
406.44821	1.7
424.69443	1.7
493.84503	1.6
515.03711	2.6
533.78461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
58.99593	7.4
61.01140	3.7
65.16856	1.3
67.05500	3.3
69.03443	18.1
69.07082	10.8
70.06561	2.4
73.01152	9.4
79.05508	8.8
81.07044	2.2
85.02914	16.9
87.02685	2.2
91.05499	1.9
95.01338	31.0
95.04961	4.1
97.01122	3.3
97.06538	8.9
97.13542	1.3
98.20708	3.0
99.02686	7.8
101.04253	14.5
102.96764	1.5
103.03964	1.6
103.97584	1.6
104.98316	7.2
107.08550	1.4
111.02663	10.6
112.03463	32.2
113.04243	100.0
114.05016	6.3
115.02116	1.9
115.05788	2.7
121.10145	4.5
125.06007	24.6
127.03925	2.5
129.03709	12.6
130.04483	8.1
131.05292	11.9
131.06190	2.2
133.01440	1.8
136.95462	3.3
142.99828	4.1
143.07056	2.4
144.00624	5.0
145.01431	66.0
147.03023	10.5
153.05476	18.8
161.00902	2.5
176.98608	5.9
187.05978	1.9
194.99710	27.1
215.05495	12.2
226.96921	4.0
251.00533	5.7
255.50499	1.6
266.99823	2.0
300.98801	15.3
379.56482	1.4
386.93314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	19.0
57.03411	10.8
57.88212	7.2
58.99583	8.5
61.02914	9.2
67.05510	43.7
69.03443	11.3
69.07053	22.7
70.06576	12.8
70.99783	13.5
71.00116	9.5
73.01136	14.3
73.02924	7.6
73.87073	7.5
78.92815	8.6
79.05499	43.0
81.06666	7.5
81.07057	63.6
83.08593	8.8
85.02902	21.1
91.03934	14.2
91.05491	49.1
93.07037	49.0
95.04935	11.4
95.08598	38.3
97.06534	12.9
97.10094	8.1
104.98291	13.9
105.07043	37.6
107.08583	32.9
109.06496	9.0
111.02667	10.2
112.03518	17.8
113.04234	38.5
117.06998	9.2
119.08580	43.4
121.10136	36.3
121.92894	8.7
123.11725	13.9
127.03964	9.2
129.03769	7.8
129.07021	9.1
131.08571	19.6
133.10133	25.5
135.11667	17.8
142.99828	11.1
145.01393	19.3
145.10150	14.8
147.11711	55.0
159.11693	14.4
161.13242	20.4
163.14760	8.4
165.12769	15.0
175.14870	13.2
177.05435	16.1
185.13231	9.3
237.03568	10.6
241.19542	13.8
259.20551	47.7
267.15909	39.1
285.16922	26.6
301.39886	8.5
301.98831	21.4
351.25262	100.0
367.22440	10.0
477.28235	16.7
495.29401	19.1
513.01654	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.1
55.44826	5.8
61.02916	9.8
65.11124	5.4
67.05494	23.4
69.03408	7.9
69.07070	19.8
70.06597	7.8
71.11434	12.6
79.05499	37.2
81.07056	45.5
83.08624	5.8
84.08155	6.8
85.02895	18.8
85.06601	5.8
86.09689	6.3
91.03954	11.2
91.05492	33.3
92.95912	5.5
93.07047	49.6
95.01351	5.8
95.04986	5.2
95.08598	25.8
97.02876	10.8
103.12625	4.9
105.07043	41.2
107.08608	26.1
109.10147	11.4
112.03450	18.4
113.04224	14.9
117.07016	12.9
119.08577	36.8
119.84511	6.4
121.10133	24.9
121.32313	6.7
129.06985	6.8
131.08572	18.2
133.10156	31.9
133.89684	5.1
135.11737	26.9
142.99867	6.3
145.10109	18.2
147.11676	32.2
149.13248	9.5
157.10181	7.3
159.11700	18.6
161.13258	18.2
162.11501	5.3
173.09746	5.5
173.13350	8.7
175.14830	15.7
185.13277	9.7
241.19489	27.7
259.20596	53.6
277.21530	9.3
298.97302	7.3
333.24405	5.8
351.25296	100.0
477.28220	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.05507	15.4
57.03426	5.0
61.02916	10.3
65.03912	5.4
67.05520	28.8
69.03429	8.8
69.07069	12.0
70.06589	9.3
71.55831	6.6
73.01128	6.5
73.02914	8.2
79.05502	31.3
81.03407	8.2
81.07047	33.3
83.08634	9.1
85.02885	17.0
91.03945	8.2
91.05485	37.1
93.07046	51.4
95.01354	5.7
95.04948	13.1
95.08604	19.4
97.02871	9.1
97.06559	5.2
102.34872	5.2
105.07037	35.5
107.08611	30.7
109.10145	11.1
111.02661	6.1
112.03452	10.4
113.04221	8.4
117.07004	17.6
119.08578	46.1
121.06510	6.6
121.10130	21.0
125.06030	5.6
127.03848	5.8
129.07004	9.6
131.08577	26.8
131.43176	4.3
133.10135	41.9
135.11703	18.8
142.99867	7.5
143.08542	9.5
145.10147	18.6
147.11728	28.1
149.13249	14.6
157.10190	10.0
159.11708	23.0
160.00110	8.0
161.00922	5.1
161.13237	24.7
164.80797	4.6
169.10175	4.5
171.11725	15.6
173.13260	17.5
175.14824	11.0
185.13246	11.4
199.14827	11.0
241.19450	19.5
259.20605	51.5
298.97223	7.4
351.25327	100.0
403.24670	4.9
441.25949	5.9
445.05219	5.4
477.28357	6.0
495.29190	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	512.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01859	2.1
55.05502	0.7
56.05010	0.5
58.99580	1.8
63.00769	0.5
65.03929	0.5
67.05496	1.3
67.37406	0.5
69.03430	1.1
69.07059	1.7
69.52010	1.1
69.52408	3.0
70.06599	2.7
72.08152	1.3
73.01124	1.7
79.05506	4.6
79.24722	0.6
80.05013	0.7
81.03397	1.6
81.07043	0.9
83.08637	0.6
84.04482	0.5
84.08132	1.6
85.01132	4.3
85.02898	1.5
86.09721	2.6
88.30938	0.6
91.02189	0.7
91.05471	1.7
93.07024	0.7
94.06594	0.7
95.04958	0.7
95.26781	0.5
97.01112	0.6
97.02898	0.6
97.06502	0.8
99.02677	1.4
100.11254	1.4
104.04983	0.8
104.98323	0.9
106.06531	1.0
108.08062	0.6
109.02901	1.6
110.06051	0.6
110.07138	1.1
111.02681	1.2
112.03428	0.5
113.04235	55.7
117.05796	1.1
118.06548	16.0
119.07327	10.5
120.08125	4.0
127.02175	1.0
127.03890	1.5
129.10260	1.1
135.06770	0.9
136.07544	0.7
136.95525	0.7
137.02925	0.8
138.03802	0.7
140.05289	1.4
145.01402	1.6
145.05179	0.8
146.05933	0.5
150.03745	11.1
151.04517	3.3
151.07588	1.2
152.05286	2.1
152.69485	0.5
162.05487	2.4
163.02502	3.2
163.06282	6.2
164.05690	0.7
164.07071	13.9
164.08389	1.0
165.07869	4.4
166.03180	1.0
166.08623	2.4
168.04782	1.5
178.03226	1.4
178.08636	1.6
179.03992	0.9
182.00931	0.6
183.05838	0.6
195.03514	0.9
196.04291	100.0
197.05038	4.4
198.05795	0.7
201.09288	1.3
203.05630	1.0
212.03772	10.0
228.01497	12.9
231.04857	0.6
260.04153	1.3
262.14389	4.9
286.05795	2.0
327.90952	0.6
346.03284	0.5
358.06039	7.2
395.08182	0.7
448.07547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59041	1.4
55.01881	1.4
56.05769	1.5
57.03435	4.4
58.06602	2.0
60.04526	3.6
65.72462	1.7
69.03431	30.9
70.06596	12.1
71.00613	3.5
72.08157	4.1
79.05489	4.3
79.18728	1.3
80.12563	1.6
84.04489	3.0
84.08134	5.1
85.02433	2.2
85.02914	31.2
86.09709	9.7
95.00764	3.0
95.01340	52.0
95.04983	8.7
97.02905	2.3
97.06541	6.8
103.03960	2.1
107.04958	2.9
113.05999	2.4
114.48754	1.9
116.07103	1.8
116.80393	1.5
123.04423	3.5
125.06000	41.2
125.06857	3.1
129.10316	2.5
136.07568	2.0
141.05489	3.4
143.07010	3.4
151.03915	5.6
153.05481	56.3
156.92671	1.6
167.06396	2.5
179.03368	2.6
185.09801	3.6
187.06062	1.9
197.04434	20.9
198.05229	2.0
215.05518	100.0
219.91258	1.5
226.13712	1.6
235.00891	3.5
244.99429	4.7
262.00354	1.5
263.00613	9.0
350.29172	3.1
393.08136	11.1
411.09320	5.9
429.10275	2.2
468.14597	4.8
512.08771	11.6
512.34027	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01865	3.2
58.06578	1.0
58.99601	1.6
60.08155	2.2
65.03929	0.9
67.05502	2.0
69.07066	2.2
70.06592	4.7
70.79839	1.9
72.08160	2.0
73.01158	1.1
75.33083	0.8
76.57435	0.8
79.05488	6.7
80.05035	1.1
81.07043	1.2
82.48088	0.9
84.04520	1.3
84.08138	3.1
85.01148	4.3
85.02904	1.2
86.09715	3.0
88.04057	0.9
91.02177	1.1
91.05478	1.7
93.07034	1.2
94.06608	0.9
95.04982	1.3
96.08174	1.2
97.06558	1.6
97.41504	0.9
99.02692	1.6
102.09190	4.0
104.98329	2.2
106.06560	1.7
107.32290	0.9
108.08078	1.0
110.07168	1.7
111.02651	2.3
113.04237	65.1
114.04547	1.2
118.06552	15.9
118.08678	3.1
119.07329	10.8
120.08126	5.4
127.02108	1.0
129.03683	1.5
129.10268	1.0
142.99904	1.0
145.01451	1.3
150.03720	11.1
151.04504	3.5
152.05283	2.4
162.05540	2.0
163.06270	6.2
164.05678	1.3
164.07079	26.3
165.07828	4.4
166.08607	1.7
168.04816	1.5
170.08090	1.0
178.03265	2.2
178.08643	4.9
183.05959	2.2
183.08228	0.9
195.03522	2.4
196.04295	100.0
197.05043	4.3
198.05768	0.9
201.09288	6.9
212.03787	3.8
219.08011	0.9
224.12137	0.9
228.01489	26.0
228.03806	1.3
229.02214	1.1
242.13269	4.9
260.04108	2.6
262.14395	15.9
286.05624	2.2
312.12076	1.2
330.13046	4.6
333.86722	0.8
358.05930	2.3
377.07245	1.4
395.08252	3.5
412.96677	1.0
435.59995	0.9
450.08365	1.0
461.10718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66473	0.5
57.89502	0.5
59.63350	0.5
70.08385	1.9
79.05515	1.1
85.02907	0.9
91.05511	0.9
92.02193	0.4
93.07046	1.2
95.04981	0.8
103.05475	7.7
107.04976	1.4
119.97468	0.4
120.08115	100.0
121.08431	0.9
131.04947	3.1
136.07626	0.7
145.04944	0.8
149.06000	2.1
166.08652	51.2
183.06537	0.6
205.95042	0.5
225.07568	1.6
252.80623	0.5
327.33676	0.5
348.92545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20801	0.5
55.01863	3.3
55.05505	3.7
55.36992	0.5
57.03426	1.2
57.07076	0.9
62.06101	0.6
62.17230	0.5
67.05509	4.3
69.03428	1.1
69.07069	4.3
70.06580	2.8
71.08632	0.8
71.55221	0.7
73.01140	0.7
79.05489	5.1
81.07060	21.9
83.04981	2.7
83.08607	0.8
84.08138	1.5
85.02907	0.7
85.06561	0.7
86.09708	2.5
91.05470	2.1
93.07047	4.2
95.04938	0.5
95.08609	4.8
97.06540	1.7
103.53268	0.5
104.98332	0.6
105.07023	2.1
107.08610	3.6
109.06522	8.3
109.10156	2.4
110.07143	0.8
111.03697	1.0
111.04451	15.5
111.08125	1.3
113.04220	2.3
113.06004	0.7
116.07095	0.6
119.08597	4.8
120.08112	1.5
121.06472	0.7
121.10165	4.6
123.08081	2.0
123.11700	2.0
125.05994	5.2
129.10246	0.7
131.08572	2.0
133.10127	4.5
135.08067	2.4
135.11687	4.9
137.05983	100.0
137.13258	1.4
139.07545	0.7
143.08565	1.1
145.02899	0.8
145.10133	1.9
147.08049	1.3
147.11693	6.0
149.09622	4.8
149.13290	1.2
151.07529	3.1
151.11189	1.5
155.14217	0.8
157.10155	2.3
159.11708	1.3
160.08818	0.6
161.09618	6.5
161.13242	2.9
163.11154	3.4
163.14825	1.0
163.71010	0.6
165.09119	3.0
165.12750	0.8
167.10663	0.9
171.11668	1.0
173.13271	0.7
175.11188	5.7
175.14822	0.7
177.05472	0.7
177.12846	0.7
179.10710	2.1
181.12241	0.8
189.12703	1.5
193.12296	1.1
196.04195	0.6
197.94115	0.6
198.05247	0.6
203.14339	0.7
203.17963	6.7
205.19533	0.6
213.16386	2.5
216.06317	1.1
221.19058	2.0
223.14774	0.8
231.17458	9.0
241.15863	1.4
249.18478	6.4
262.73273	0.5
264.03516	0.6
277.18005	52.3
278.18274	0.9
295.19070	14.2
320.22296	3.3
344.58820	0.6
351.21674	64.0
352.22076	1.7
369.22742	30.1
370.23135	0.9
382.80856	0.6
431.18268	1.3
437.40909	0.5
443.88031	0.5
474.22476	1.1
492.23480	1.9
510.24170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3549
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.26955	0.5
55.05502	0.9
56.05027	1.5
57.03425	1.0
57.07078	4.6
58.06604	1.2
60.07883	0.9
60.08169	17.3
67.05496	1.5
71.07378	5.1
71.08641	3.6
71.40793	0.8
72.78931	0.4
81.07053	1.5
83.08624	0.8
85.10178	1.6
86.09711	50.3
90.62349	0.5
95.08611	2.6
97.10172	0.7
98.98466	4.2
100.99080	0.4
104.10750	99.3
109.10175	0.9
115.47111	0.4
125.00012	27.6
175.53725	0.5
184.07353	100.0
190.79326	0.4
192.18576	0.4
239.23758	1.3
258.11142	0.5
306.30576	0.5
313.27399	5.5
327.28992	1.9
331.28583	0.6
382.44141	0.5
433.27466	0.5
492.34528	8.0
510.35617	30.8
511.36301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.3
57.03442	6.6
57.07081	86.1
61.02911	4.1
67.05510	32.8
69.03424	9.2
69.07071	21.2
69.46965	2.9
69.50796	6.2
69.51210	13.2
71.08638	59.9
81.03440	4.2
81.07065	35.7
83.08628	23.5
85.02905	23.5
85.09799	2.7
85.10199	33.5
86.09714	7.2
95.08618	53.2
97.02906	14.6
97.10180	11.7
104.10752	14.4
109.02879	6.5
109.10160	26.4
123.11688	9.5
125.00036	4.7
125.13269	4.7
127.03926	17.5
137.13254	6.3
138.34781	2.6
145.04953	12.0
151.14833	3.9
184.07347	19.5
219.10791	2.5
239.23712	75.1
257.24719	5.6
313.27396	100.0
314.27701	3.8
331.28421	11.0
383.27994	35.6
401.29044	54.7
462.21759	3.1
469.59912	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	508.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05506	2.3
56.05040	1.4
57.03436	1.0
58.06597	1.1
58.99575	1.2
60.04526	4.2
61.01096	0.9
67.05499	1.7
69.03429	2.5
69.07056	3.4
70.06591	8.7
71.56189	1.3
72.04517	1.0
72.08167	4.6
72.08484	0.8
73.01135	0.9
81.07063	3.9
83.08629	0.9
84.04489	2.8
84.08149	6.1
85.01118	1.8
85.02894	3.5
86.09708	22.3
87.10038	1.4
91.05474	2.7
93.07049	2.2
94.06581	1.0
95.01321	4.1
95.08595	2.7
96.08098	1.4
97.02899	1.2
97.06547	0.8
101.81009	0.8
104.04976	1.3
106.06557	1.6
107.08586	1.3
109.10167	1.2
110.06055	1.2
110.07133	2.1
113.04228	1.3
117.05809	1.3
117.19055	0.9
118.06544	14.1
119.07349	6.4
120.08102	9.3
121.06482	0.9
121.10164	1.3
123.11718	1.1
125.05967	1.9
126.03754	0.8
127.03910	1.1
129.10248	2.5
134.06015	1.0
136.07571	1.2
140.05295	1.5
141.10266	1.6
141.34676	0.9
145.03134	2.1
149.13217	0.9
150.03760	7.4
150.04880	0.9
150.05489	1.8
151.04497	3.4
152.05295	3.2
153.05496	1.8
162.05855	3.9
163.06267	4.4
164.07069	10.6
165.07863	23.5
178.03246	1.8
196.04289	100.0
201.12357	2.9
202.12682	1.1
204.46475	0.8
215.05493	3.5
229.11842	3.6
230.03046	1.6
240.19922	0.9
251.57118	0.8
279.16977	1.2
280.17325	0.9
310.23715	1.6
328.24979	6.6
444.07874	7.8
448.26733	0.8
472.82498	1.0
476.31335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2721
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.21000	1.9
55.05513	12.2
57.03440	9.7
65.03962	1.9
67.05508	40.6
69.07080	10.1
70.61476	6.4
72.08141	4.3
79.05496	26.7
81.07067	36.0
83.08627	3.5
85.06521	2.6
91.05495	16.9
93.07048	31.1
95.04952	3.3
95.08615	30.5
97.06550	1.9
97.10152	2.5
98.97858	3.6
98.98477	56.5
105.07049	11.7
105.23654	1.8
107.08595	20.3
109.10173	13.4
110.99432	1.9
117.07052	5.3
119.08587	13.0
121.10152	14.1
123.11687	3.1
131.08572	7.3
133.10202	11.2
135.11678	9.4
137.13182	1.9
137.31502	2.0
145.10130	4.1
147.11650	4.4
149.13257	6.7
155.01054	20.6
159.11642	4.3
161.13287	5.4
163.14833	5.4
173.02104	8.1
173.13228	3.3
175.14835	3.3
187.14861	2.9
243.21072	5.4
247.05811	2.8
261.22147	13.3
299.23740	2.0
301.78784	1.7
317.24728	11.8
335.25839	100.0
336.26065	2.8
471.25076	4.9
491.26880	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	508.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
55.05505	2.7
55.33916	0.8
56.23288	0.8
56.75129	0.8
58.99590	1.0
60.04524	4.5
64.63246	0.7
67.05516	1.8
69.03436	2.0
69.07071	3.7
70.06596	6.5
70.82501	0.8
71.55227	1.2
72.04528	0.8
72.08155	5.7
73.01123	1.1
74.06084	1.2
79.05500	1.8
81.03409	1.3
81.07056	3.1
83.33363	0.8
84.04507	3.2
84.08138	5.4
85.01104	1.4
85.02908	4.5
86.09709	19.0
87.10033	2.6
88.04013	1.3
91.05473	2.1
93.07042	1.8
94.06573	1.5
95.01337	3.0
95.08608	1.8
97.02937	0.8
98.06074	0.8
100.11244	0.9
103.05468	1.2
104.98293	1.3
105.07056	0.8
106.06504	1.4
107.04953	1.0
107.08608	1.1
107.54549	0.8
109.10157	0.9
110.06116	0.9
110.07163	1.4
111.99286	0.7
113.04215	1.2
118.06551	15.6
119.07320	6.9
120.08104	9.9
124.07609	0.9
125.05983	2.3
129.10254	2.3
134.06055	1.3
143.47325	0.7
145.03087	1.1
149.13301	1.1
150.03731	6.4
150.05513	1.7
150.09167	0.8
151.04558	4.4
152.05318	3.3
153.05464	1.0
156.10167	1.0
157.24388	0.8
162.05602	1.8
163.06273	4.5
164.07072	13.8
165.07872	24.2
168.04782	0.9
178.03270	2.6
196.04288	100.0
197.04605	1.1
201.12393	3.0
215.05562	2.9
229.11957	1.8
310.23953	2.0
313.62759	0.8
328.24985	5.0
444.07834	8.5
470.47205	0.9
490.30417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84109	1.1
71.53938	1.9
81.35776	1.0
127.91055	1.2
164.93542	100.0
224.94789	1.2
387.87347	1.0
406.07605	1.0
475.89441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1843
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
52.90002	0.4
56.05040	0.4
61.30195	0.4
69.55766	2.6
70.06593	1.3
77.77845	0.4
83.06126	0.5
83.62456	0.4
84.04517	0.5
84.08237	0.4
85.02909	1.5
86.03550	1.2
86.09694	0.6
95.06095	0.5
111.05566	2.8
120.04466	1.8
123.05535	0.8
126.06644	1.1
126.28447	0.4
132.04474	15.0
132.08073	0.8
134.06024	2.5
137.04684	1.1
150.05548	1.7
151.06178	6.1
176.07133	0.6
194.06744	2.7
195.07512	0.8
202.09781	1.4
203.08278	0.7
216.11302	0.4
230.09201	0.7
231.07611	0.6
232.10826	1.5
242.09200	3.3
257.10416	2.8
259.11948	7.6
280.07193	0.5
284.11432	3.4
301.14124	0.6
302.12491	10.9
327.11884	2.2
345.13092	100.0
346.13467	0.6
453.02191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3246
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
55.05512	13.7
57.03449	6.4
57.07066	2.9
67.05173	1.8
67.05512	25.3
67.05872	1.8
69.06724	1.4
69.07076	17.7
70.90183	2.3
70.90524	1.3
71.04999	1.4
71.08656	2.0
79.05494	5.6
81.07066	24.7
83.08643	7.8
91.05479	2.8
93.07051	6.7
95.08612	19.5
97.10183	4.0
105.07040	2.1
107.08620	3.8
109.10172	8.9
112.95990	1.0
119.08570	2.0
121.10149	3.7
123.11678	2.6
132.31958	1.1
133.10124	1.5
135.11732	2.3
137.13278	1.4
144.63579	1.2
147.11761	1.2
149.13245	1.8
195.00279	10.8
196.00684	2.8
312.26114	2.5
318.04865	1.3
334.31293	2.2
365.30527	100.0
366.30945	1.6
506.25638	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	506.3246
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
53.03950	2.0
55.05262	1.3
55.05516	17.0
55.20143	1.1
55.71926	1.0
57.03435	3.4
57.07073	2.9
59.04983	1.3
59.97929	1.0
62.06093	33.8
67.05509	36.3
69.07070	19.7
69.32018	6.3
69.32427	2.4
71.08633	1.7
79.05498	10.9
81.07062	35.9
83.08618	10.4
85.06520	1.1
91.05482	3.4
93.07040	12.7
95.04936	1.5
95.08612	30.2
96.08969	1.2
97.06561	1.3
97.10195	5.2
98.98487	12.8
103.51047	1.0
105.07039	2.5
107.08593	6.2
109.10162	9.5
111.07990	1.1
113.04234	1.6
119.08585	3.4
119.63371	1.1
121.10126	8.2
123.11737	2.8
124.01659	2.1
125.09643	2.4
131.08490	1.3
133.10173	2.0
135.11703	3.6
137.13251	1.9
142.02658	2.5
147.11705	2.1
149.13269	2.6
155.01050	7.4
159.80486	1.0
161.13315	1.6
163.14830	2.0
171.03394	1.1
173.02139	1.2
189.11142	1.3
191.17987	1.4
193.04955	1.4
195.00328	8.4
198.05251	2.2
216.06375	4.2
263.20316	1.2
291.26770	7.8
312.26144	1.7
334.30991	14.2
347.29465	2.2
365.30511	100.0
366.31070	2.7
488.31372	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	506.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.05516	4.9
56.05018	0.4
57.05835	0.7
58.06582	0.3
58.99579	0.6
60.04524	0.5
67.05525	0.8
69.03419	0.6
69.07071	1.5
70.06593	5.0
71.14820	0.7
71.15157	0.6
72.08157	61.9
73.08482	0.4
79.05503	0.5
79.42101	0.5
81.03434	0.4
81.07077	0.9
83.08624	0.4
84.04523	0.9
84.08153	2.5
84.78133	0.4
85.02908	0.8
86.09209	0.9
86.09711	12.7
87.05562	0.5
91.05515	0.8
93.07039	1.3
95.05024	0.4
95.08591	0.6
97.02950	0.5
101.07176	1.0
103.05441	2.1
105.07024	0.8
107.08575	0.5
109.02859	0.4
109.10125	0.5
110.07177	0.6
111.13150	0.4
114.18373	0.4
117.03458	0.4
119.08627	0.4
120.08110	100.0
121.08479	1.0
121.10113	0.8
125.02374	1.6
129.06572	2.2
129.10245	1.3
132.10204	3.6
136.07515	0.5
139.05019	0.7
143.11803	18.0
146.09671	0.8
153.60414	0.4
157.04935	2.2
162.05772	0.5
166.08569	0.6
167.03349	0.5
169.04915	0.5
171.11295	21.2
174.12793	0.8
177.05402	0.6
177.10233	23.7
197.04564	0.4
205.09727	15.2
205.15897	0.5
228.13454	17.3
229.07053	1.6
231.11440	0.6
233.16409	0.8
248.13950	1.3
266.84201	0.5
273.15909	1.4
276.13458	4.3
279.17075	8.6
286.11823	0.4
289.25601	0.4
304.16495	0.5
318.18137	1.3
326.18127	0.5
330.17978	0.5
336.19180	4.1
344.18872	0.9
347.20767	19.1
375.20291	6.5
389.21542	1.5
393.21002	0.5
407.23111	2.0
417.20981	0.9
477.44812	0.4
488.28485	0.7
506.30042	3.2
528.05731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.1
60.04520	0.9
61.01153	1.4
61.02903	1.2
62.78400	0.8
66.61268	0.9
67.52177	0.9
69.03439	3.0
70.06601	2.1
72.08161	4.4
73.01137	3.9
73.02907	1.2
74.06078	3.2
75.41142	0.8
80.73466	1.0
81.03417	2.1
84.04509	3.4
84.08154	2.2
85.02914	12.4
86.09711	3.8
91.05486	6.9
97.02889	3.3
101.07124	1.0
102.05584	1.4
104.98372	4.3
106.97923	1.6
116.07111	1.3
119.04961	18.4
124.07714	0.8
127.03929	2.2
129.10258	1.3
130.08649	1.1
137.00917	1.5
145.05052	5.3
147.04425	100.0
155.16852	0.8
157.09773	1.3
163.06108	1.1
165.05501	46.1
167.07072	2.3
180.08722	1.4
185.09308	1.5
187.14476	2.8
192.07997	1.1
194.03061	2.9
196.02911	1.0
201.12390	1.2
203.06990	1.2
203.10376	1.0
215.13992	1.2
231.06535	1.8
249.07613	1.1
280.76627	0.8
291.88593	0.9
313.04105	2.8
385.11221	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	506.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
53.06513	0.5
55.01850	0.5
55.05513	1.0
56.05022	0.7
57.03431	1.9
59.05006	0.8
61.01153	0.5
61.02927	2.6
67.05512	1.4
67.68085	0.4
69.03435	8.0
69.07061	1.9
70.06599	4.8
70.96246	0.5
71.04995	1.4
71.30112	1.0
72.08159	1.3
72.76924	0.5
73.02930	2.0
79.05488	1.1
80.05009	0.6
81.03427	2.3
81.07065	1.3
82.06583	0.5
83.08644	0.8
84.04490	1.3
84.08167	2.4
84.29289	0.4
85.02423	1.0
85.02913	13.8
85.06554	0.6
86.03243	0.7
86.09717	3.3
87.04475	2.4
88.04001	1.8
91.03979	1.2
91.05499	2.1
93.07053	3.8
94.06571	1.0
95.04971	0.5
95.08625	3.4
97.02899	6.7
99.04462	1.8
101.02394	0.6
104.05326	0.8
105.07034	3.2
107.08605	6.1
108.08125	2.0
109.02883	1.6
109.10165	4.1
117.07047	0.7
119.07357	0.6
119.07747	0.7
119.08594	7.7
120.08091	1.5
121.10163	1.8
122.09707	0.8
123.08090	0.9
123.11740	1.3
124.07574	0.5
127.03944	3.7
128.07103	0.6
129.10265	1.3
130.05000	0.7
131.08565	0.7
132.08069	1.0
133.08826	0.6
133.09006	0.7
133.10152	7.3
134.09692	1.1
135.11720	8.2
136.07622	1.2
137.09662	0.8
145.04980	2.4
145.08957	1.0
145.10033	1.0
146.09647	6.1
147.04425	1.7
147.11745	1.1
148.11198	0.9
149.13228	1.0
151.11179	0.5
151.14810	0.7
153.12793	1.4
154.08556	1.1
159.10442	0.9
159.11661	1.0
160.11259	5.1
161.13242	0.8
163.06166	0.8
163.11116	0.7
165.05515	0.9
166.08623	0.7
174.12807	5.4
174.27592	0.5
175.14847	4.5
176.14359	0.8
177.05563	0.6
178.12193	0.6
179.09412	0.6
180.10208	1.0
182.95650	0.5
186.12752	0.6
192.10231	6.6
192.17448	1.2
193.15944	1.2
194.11760	0.6
201.15015	0.5
203.06796	0.5
206.11794	1.5
207.12546	3.6
210.18570	0.8
216.17490	10.3
220.13358	4.0
234.18553	2.1
262.18042	15.2
280.19095	60.3
323.61572	0.5
330.06891	0.6
410.57480	0.5
442.24402	100.0
443.24747	1.1
506.24130	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01879	4.4
55.05515	10.7
56.05034	2.9
58.06602	10.6
58.99587	12.5
61.01155	32.7
61.25012	1.2
65.03939	1.4
67.05524	3.0
68.05016	2.5
69.07070	4.3
69.45447	7.9
70.06591	10.0
71.53146	1.1
73.01144	22.1
74.00655	4.8
76.02233	20.6
76.04022	1.3
78.96792	2.2
79.05502	1.7
81.07054	2.0
82.06577	2.6
83.06126	1.2
84.04503	32.0
84.08141	4.8
85.01144	6.4
85.02908	2.3
86.01921	3.7
86.09718	11.2
86.99068	2.1
87.02699	89.7
88.02189	2.2
89.04260	3.5
90.96771	39.8
92.98334	67.8
95.08585	1.4
96.08137	3.9
97.06538	1.2
99.02684	24.3
101.04255	8.5
102.96753	2.3
104.97617	1.7
104.98321	34.0
104.99001	2.2
111.02663	1.6
112.04013	9.6
113.03487	2.0
113.04215	13.0
114.04578	4.3
115.03820	3.3
116.01678	8.5
116.05328	49.5
116.06198	2.4
116.07073	14.3
116.22866	1.5
116.98314	11.6
117.99094	35.4
118.99873	6.6
120.08114	6.8
121.01443	4.1
124.07617	4.0
127.02130	1.2
129.06581	2.1
130.05037	9.1
131.04584	2.0
136.95529	6.8
139.03940	4.5
140.04245	2.3
140.40227	1.2
142.03239	3.0
142.08647	1.7
144.01137	4.2
144.04828	1.2
150.97067	73.3
152.98637	5.2
156.92725	3.8
160.00662	1.2
162.02252	9.6
164.98697	2.0
165.95930	1.2
167.00217	5.9
170.08147	23.2
177.03310	2.4
178.76312	1.2
179.04869	20.4
198.97404	100.0
202.05362	24.8
219.08002	63.3
233.05978	3.7
233.16661	2.3
245.05884	3.4
245.09590	2.8
245.18738	1.6
251.05235	4.4
257.16641	1.4
261.16052	1.9
273.09012	7.0
273.98730	1.9
291.06628	1.3
308.09109	4.2
348.12326	9.4
377.01605	2.1
389.18106	1.2
396.81671	1.3
431.02585	5.3
506.05737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.3
55.01875	1.7
55.64957	1.0
56.05038	1.5
56.58681	1.0
57.03429	5.0
57.03666	1.1
58.06604	2.7
58.99593	2.6
60.06933	1.3
61.01159	9.8
61.02940	8.7
69.03440	12.8
70.06599	6.7
71.04984	1.1
72.08152	4.3
73.02909	4.5
74.00680	6.6
81.03430	5.2
83.17561	1.2
84.04498	4.8
84.08137	4.2
85.02916	100.0
86.09714	4.7
87.04473	2.4
87.05534	1.0
91.03958	5.1
95.01344	2.5
96.97801	1.4
97.02907	25.6
98.21355	5.8
99.04446	4.4
102.05508	2.2
104.05406	1.6
104.98333	45.3
109.02897	9.4
116.07148	1.2
117.09126	2.8
120.01160	8.6
123.05605	2.0
125.05997	1.6
127.03940	26.1
129.10268	1.9
130.99843	2.4
136.04018	1.3
136.06209	3.3
145.04979	58.2
153.05510	2.5
163.03937	1.7
163.06032	20.0
173.05052	1.3
177.00452	3.5
194.03081	25.1
215.05525	3.9
223.06012	1.1
231.09694	1.2
263.05957	1.4
272.94885	1.3
285.91672	1.1
289.09119	2.1
310.17490	1.8
325.11362	6.1
341.91763	1.0
465.06656	1.2
487.15787	1.1
504.27097	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.1
56.05041	4.1
58.06598	15.4
58.99585	6.9
59.77257	3.3
67.05506	8.1
69.03413	4.7
69.07061	5.7
70.06612	21.5
71.54742	4.5
72.08155	10.1
73.01152	6.3
73.05302	10.4
74.00674	6.0
76.02220	9.6
76.04008	8.4
77.77229	3.4
79.05495	3.8
81.03403	4.0
81.90430	3.9
82.06593	3.5
82.40107	3.7
84.04038	5.8
84.04508	73.7
84.08146	7.4
85.02909	29.1
86.09710	12.7
87.08058	3.6
93.63947	3.3
95.08598	4.7
97.02895	9.8
97.06553	3.5
98.06073	35.6
99.02686	28.3
99.05591	7.1
100.02164	4.4
100.03467	5.4
100.07601	6.7
101.04213	3.7
101.07121	3.6
102.00147	3.9
102.05585	4.0
104.98363	4.4
109.02880	4.5
109.10150	5.7
110.07186	4.3
110.09721	6.3
112.03979	19.7
113.00507	3.3
113.04221	4.2
116.01675	5.0
116.04559	5.3
116.05333	74.7
116.06161	4.7
116.07093	19.7
118.06864	9.0
119.08595	5.0
120.08131	8.6
123.11710	3.4
124.21497	3.4
126.05518	52.0
127.03945	8.2
128.02917	10.2
129.04321	6.9
129.10281	4.3
130.05020	45.4
135.11691	6.3
138.09123	4.2
145.04959	10.6
145.06087	10.6
146.06821	16.5
147.07652	7.8
156.06561	15.6
160.00647	4.0
170.08159	10.2
171.07689	3.6
173.09227	71.9
177.03250	6.1
182.06702	6.0
193.15866	6.8
199.07123	4.9
201.08708	32.7
202.05434	33.6
206.09033	4.6
210.01396	5.7
211.16927	9.5
212.07910	6.0
219.08008	96.3
219.10110	6.4
220.08340	3.3
238.36230	3.4
247.11180	9.6
257.10089	7.3
273.09070	4.1
274.10349	14.9
275.11093	53.2
284.03171	30.6
290.09872	6.9
306.07480	9.5
307.10474	17.2
338.04349	9.9
339.05493	15.0
348.12210	42.6
349.12976	10.1
359.46756	3.8
413.01981	5.0
413.07446	100.0
437.56384	3.6
504.30380	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	504.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	11.0
55.05519	5.6
56.05031	6.7
58.06593	10.9
58.99585	6.1
61.01140	4.6
67.05489	10.4
69.03426	5.4
69.07054	7.8
70.06596	51.0
71.54897	4.3
72.08173	22.9
73.01147	8.4
73.05299	7.2
74.00669	10.5
74.02442	5.1
76.02232	10.1
76.04014	8.0
81.03404	5.1
81.07070	7.7
82.06568	4.6
83.06107	4.0
84.04508	90.3
84.08159	27.7
85.02930	17.0
86.09713	40.3
87.10075	3.5
91.05472	6.5
94.06557	3.9
95.04979	3.6
96.08138	7.7
97.02891	4.3
98.06058	54.3
99.02688	32.6
99.05583	4.8
100.03484	7.3
100.07602	7.8
101.04236	6.6
102.00163	4.1
105.07058	4.0
106.98583	3.5
109.02908	4.2
110.06065	5.2
110.07134	4.9
110.09694	6.1
112.04031	18.0
113.04284	5.3
114.03770	7.3
114.04543	3.2
116.01677	11.0
116.05317	77.2
116.07079	21.0
118.06886	10.8
120.08105	22.3
124.07535	4.6
126.05531	56.8
127.03941	4.5
128.02913	16.1
128.05908	3.5
129.04291	7.4
129.10260	13.8
130.03378	3.6
130.05016	59.0
130.06482	4.6
136.07602	8.0
138.08154	4.3
138.09129	17.3
142.03229	4.6
144.01181	3.9
145.02875	6.4
145.05005	8.2
145.06105	16.5
146.06891	16.6
147.07652	9.9
148.07568	3.9
150.09091	4.0
156.06561	17.1
159.09364	4.9
162.02228	4.4
163.06038	3.4
166.08667	15.3
170.08168	13.1
171.07727	4.8
173.09241	71.3
174.09187	8.2
177.03288	6.1
177.05522	6.5
179.04996	6.9
182.06715	3.9
183.07562	3.9
189.05551	6.2
192.10161	4.2
199.07141	11.7
200.07593	4.1
201.08740	42.5
202.05347	44.3
204.06952	4.7
206.08963	6.9
210.01227	5.0
218.08359	5.9
219.08006	99.8
245.07683	4.3
247.11137	9.5
257.10065	5.0
258.08276	4.3
274.10233	18.2
275.11142	56.7
284.03177	28.4
290.09796	6.6
306.07599	9.5
307.10376	21.2
338.04221	7.4
339.05646	14.6
348.12259	68.5
349.12939	11.9
380.13385	9.2
413.01950	6.4
413.07431	100.0
413.12726	6.6
425.01584	4.8
486.17749	7.1
504.18790	6.6
518.29474	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	504.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23712	2.8
55.01865	8.0
55.05510	6.6
56.05035	6.7
58.06603	13.2
58.99590	7.2
61.01153	6.3
67.05516	9.7
69.03418	7.5
69.07064	12.1
69.90005	10.4
69.90417	8.2
70.06595	39.1
72.08149	10.9
73.01139	25.0
73.05284	5.2
74.00664	5.1
74.02464	3.6
74.09750	3.6
76.02232	12.3
76.04007	12.4
79.05436	3.6
81.03426	5.0
81.07078	6.4
84.04510	88.7
84.08136	16.9
85.02912	32.1
86.06075	3.5
86.09705	51.2
86.99126	4.0
87.10042	4.9
88.03997	3.5
91.05477	4.9
93.07054	5.0
95.01335	4.7
95.08646	4.8
96.08144	3.4
97.02898	7.1
97.06556	7.2
98.06061	39.7
99.02680	31.0
99.05601	8.1
100.03436	5.3
100.07632	7.5
101.04256	5.1
102.05539	6.6
102.96740	3.3
103.97542	4.7
104.81901	3.4
104.98338	6.1
105.07069	4.1
109.10214	4.6
112.04001	18.4
113.04255	8.3
116.01726	6.9
116.05310	65.7
116.07101	18.4
118.06886	6.7
120.08110	11.0
120.97831	8.1
122.06015	7.7
125.90292	3.9
126.05526	63.4
127.03953	6.4
128.02953	11.7
128.05896	4.0
128.07027	3.1
129.04250	7.6
129.10257	12.8
130.05026	53.0
131.05284	4.4
131.08224	3.4
136.95511	6.7
141.06558	5.2
145.05023	7.7
145.06128	11.7
146.06909	17.7
146.11766	4.6
147.07680	12.9
153.05510	3.7
153.06673	5.0
156.06570	16.1
160.00661	4.0
162.02266	10.2
163.06015	4.0
170.08144	15.5
171.07637	6.3
173.09238	77.4
177.03299	7.2
179.00259	4.3
179.04878	9.8
182.06476	4.1
199.07170	9.7
201.05565	4.8
201.08731	32.8
202.05397	36.4
206.09042	4.4
210.01289	4.4
212.07849	4.6
219.07994	100.0
220.08446	4.8
247.11147	14.5
257.10117	6.7
273.09146	6.4
274.10303	18.8
275.11163	49.4
284.03223	29.3
290.09659	3.5
306.07617	11.2
307.10419	20.9
337.53778	3.8
338.04230	9.7
339.05710	18.7
348.12299	59.4
348.16394	5.6
349.12985	15.9
381.11746	5.1
413.07449	98.8
414.07999	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	504.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01881	1.7
57.03440	4.7
58.06605	6.5
58.35734	1.3
58.99584	4.0
61.01157	20.6
61.02935	7.2
62.45366	1.3
65.56097	1.4
67.77863	1.4
69.03430	18.2
70.06608	6.8
70.10624	7.2
70.99559	2.2
71.04997	2.0
72.08144	5.3
73.02916	6.3
73.82236	1.7
74.00667	12.3
80.50935	1.4
81.03421	7.6
83.06088	1.4
84.04501	3.0
84.08141	6.7
85.02908	100.0
85.89793	1.6
86.09702	8.7
91.03958	5.8
91.05817	2.0
95.01347	3.3
96.97817	3.2
97.02899	26.3
98.06063	1.9
98.20841	2.1
99.04464	3.6
101.40995	1.6
102.05556	2.8
104.05334	1.7
104.98323	92.3
109.02871	6.9
117.09148	3.5
120.01186	19.3
125.05991	2.6
127.03931	27.2
127.04807	2.4
129.10286	4.3
130.99873	3.3
136.06200	3.6
145.04971	58.8
153.05519	3.5
153.06853	1.5
163.03940	1.6
163.06036	21.6
163.82158	1.5
177.00427	7.0
178.04982	1.5
178.70010	1.3
179.84554	1.5
194.03062	54.9
208.06036	2.0
213.04025	3.2
213.12344	2.9
215.05481	7.3
237.08969	2.1
310.17816	2.0
325.11328	5.8
410.98099	1.5
504.26807	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	503.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.01862	1.4
55.05510	15.4
57.03433	2.2
57.07077	1.7
59.05000	1.0
63.18460	1.0
65.03949	3.5
67.05508	58.5
69.03433	1.2
69.07072	10.7
69.66539	2.4
69.66962	4.9
71.04990	6.5
71.08630	1.1
72.74205	1.0
79.05496	34.1
80.06277	1.2
81.03416	2.7
81.07062	100.0
82.17233	1.2
82.21481	1.0
83.04977	2.9
83.08631	7.5
84.38557	1.1
85.06547	11.7
91.05475	20.6
92.05859	1.1
93.07048	29.5
93.07632	1.8
95.04978	3.9
95.08606	18.5
97.06528	2.2
97.10169	2.5
98.21387	2.1
105.07034	14.8
107.08596	15.7
109.06557	2.2
109.10152	11.8
111.08137	1.3
117.07048	3.2
119.08578	11.3
121.10154	14.5
123.11714	13.0
129.07018	1.6
131.08591	8.2
133.10141	15.1
135.11684	8.5
137.09627	1.6
143.08557	1.9
145.10123	5.4
147.11714	4.7
149.13304	1.9
151.11195	4.7
155.45667	1.1
157.10176	1.3
159.11688	5.1
161.13321	1.8
169.12247	2.3
173.13342	2.3
175.14865	2.3
181.12363	1.2
185.13252	1.3
187.13313	9.3
187.14810	1.8
199.14838	1.3
212.23972	1.0
261.22214	4.8
340.95505	1.1
369.07153	1.1
393.31934	2.0
411.32623	3.8
428.25586	1.2
467.68622	1.1
485.36224	1.4
503.37384	71.0
504.38055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12217	0.3
53.03955	0.6
55.01886	0.4
55.05511	1.4
57.03421	0.4
57.07074	0.3
58.99593	5.1
61.01162	1.9
64.48311	0.3
65.03931	0.7
67.05511	3.3
69.03437	0.6
69.07076	9.1
69.59444	2.2
70.06592	0.9
70.99590	0.4
73.01145	2.6
79.05502	8.4
80.06287	0.5
81.03415	0.6
81.07056	1.4
82.07844	0.6
83.04991	1.0
83.08625	0.6
85.01138	1.7
85.06569	0.8
86.09713	0.8
87.02682	0.8
90.01411	0.6
95.04966	1.4
96.05772	0.7
97.01108	1.3
97.06543	6.7
97.10178	0.7
98.01900	1.0
99.02690	6.8
101.04256	8.8
101.04927	0.4
104.98322	3.2
107.08607	0.8
109.10150	0.4
111.02681	4.4
112.03468	6.2
113.04240	100.0
114.05046	6.7
115.02174	1.4
115.05802	0.9
115.07581	0.5
116.98335	1.8
117.82710	0.3
118.70431	0.3
121.10156	0.7
123.08078	0.4
125.06002	0.5
127.02151	0.7
129.03708	8.3
130.04504	3.0
130.99884	0.5
131.05275	6.3
133.01442	0.9
134.93826	0.4
136.95500	0.5
139.03914	37.1
142.99867	3.8
144.00638	1.1
145.01419	8.3
145.03195	0.7
146.02203	1.2
147.02969	0.4
147.04790	0.9
158.99358	1.2
161.00922	2.5
162.01701	0.5
162.09311	0.3
163.02489	8.7
165.09094	0.3
167.07051	1.2
174.97125	0.4
176.98659	0.5
177.99454	1.5
181.95378	0.3
192.98140	0.4
193.98967	0.7
194.99660	2.7
210.97322	0.3
226.96964	0.6
235.02815	3.3
235.48515	0.3
237.14882	16.2
251.02391	0.8
255.15939	11.4
323.02679	2.2
324.03448	2.5
325.04205	0.6
364.93170	0.4
413.04178	2.8
414.04776	0.8
454.12259	0.4
503.05515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01860	1.1
55.05497	2.4
56.05026	2.1
61.02920	1.7
67.05518	1.3
69.03430	4.9
69.07076	4.1
70.06599	14.8
71.54903	1.0
72.08160	10.3
73.02907	1.2
76.02248	0.8
76.86539	0.8
79.05492	2.4
81.03422	2.2
81.07048	3.6
83.06086	0.9
84.04498	7.1
84.08151	7.2
85.02907	13.5
85.06534	1.2
86.09713	39.0
86.10245	1.9
87.04475	0.9
87.05564	1.2
87.10022	1.4
88.03979	1.7
91.05460	4.5
93.07062	2.1
94.04195	3.2
95.04984	1.4
95.08585	1.5
97.02911	4.3
98.06126	0.7
99.04458	1.0
102.05537	4.3
103.05480	2.7
105.07044	6.4
107.08607	2.5
109.02892	1.5
109.06525	3.5
110.07161	2.0
113.04259	0.8
115.05479	3.7
116.05370	1.7
116.07126	1.5
117.06968	1.2
119.04938	1.0
119.08575	2.4
120.08139	4.7
121.06629	0.9
121.10139	1.3
122.03642	6.6
123.11777	1.1
125.09662	1.7
127.03914	3.3
128.06238	2.5
129.07053	1.7
129.10255	3.2
130.06523	1.7
131.04947	3.8
132.05696	2.1
132.08095	1.4
132.10193	0.9
132.95819	2.4
133.06554	4.1
133.07426	0.9
133.10129	2.3
136.07599	1.9
137.05984	100.0
138.09169	0.9
141.06993	1.5
141.10243	0.9
143.04968	1.4
143.11797	2.5
145.04968	2.0
145.06378	0.8
146.03624	1.0
147.04445	1.8
147.08044	1.9
147.11659	1.1
149.05978	2.0
156.10248	1.4
156.77629	0.9
157.06505	1.0
158.09669	0.9
159.07976	1.7
159.09196	2.5
160.05247	1.8
161.05981	13.8
162.07628	2.2
163.07542	4.0
163.11188	1.2
170.06017	2.2
171.08070	0.9
171.11296	0.8
173.13222	1.2
174.96901	3.1
175.07559	33.8
179.04839	1.0
179.07047	1.3
183.11372	2.2
184.05231	1.2
185.16545	0.9
187.07564	7.6
189.07005	1.1
189.09315	0.9
190.07758	2.3
191.08516	5.4
196.04167	4.2
197.12962	1.5
199.07567	11.9
201.05481	2.1
201.12367	5.5
202.07846	3.1
203.08611	6.4
213.15988	1.8
215.13890	2.1
217.08585	1.2
219.08067	11.1
220.08865	2.6
221.09691	1.0
223.07664	0.9
229.11894	3.8
231.08032	8.2
232.08859	1.7
234.98929	1.9
235.07793	0.9
236.08379	1.2
237.09254	1.1
240.13510	0.9
243.13394	3.2
247.07613	3.7
248.08327	3.6
251.10701	11.3
259.05075	0.9
259.07416	5.2
260.08331	2.6
261.14648	1.1
263.10712	4.2
264.07791	1.6
265.08575	1.8
275.16061	3.7
276.07742	2.4
277.08624	3.4
279.10217	9.5
280.10767	1.1
291.10144	10.5
292.10941	2.8
293.07813	1.3
295.13464	1.5
299.06091	1.1
305.08307	1.7
305.24930	1.2
308.10495	0.9
311.12784	23.7
317.08154	1.3
323.09296	1.9
323.12793	17.9
344.23465	1.3
375.37592	0.9
377.01663	3.0
484.81931	1.0
486.23322	1.0
503.05237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05501	0.5
58.99589	3.3
59.32363	0.3
61.01151	1.0
65.03925	0.5
67.05511	1.7
69.07064	3.5
69.15311	0.3
69.68511	1.5
70.06606	0.5
73.01138	1.2
76.99922	0.3
78.98306	0.3
79.05495	5.5
80.06271	0.5
81.07065	0.4
84.08117	0.3
85.01137	1.7
85.87730	0.3
87.02660	0.5
95.04985	0.9
96.05759	0.7
97.01111	1.6
97.06531	2.7
98.01893	1.4
98.20769	0.6
99.02684	5.5
101.04247	4.5
103.02208	0.3
104.98318	1.4
107.49923	0.3
111.02673	5.9
112.03448	7.4
113.04235	100.0
114.05051	6.0
115.02210	1.7
116.98325	0.7
122.99356	0.4
127.02124	0.4
128.02919	0.3
129.03712	7.7
130.04524	1.7
130.99843	1.7
131.05267	1.8
136.95479	0.4
142.99849	6.3
144.00633	2.3
145.01410	7.1
146.02284	0.4
147.04752	0.6
158.99379	4.6
161.00926	3.3
162.01709	0.4
163.02463	13.8
176.98643	0.5
180.30579	0.3
192.98099	0.6
193.98965	0.9
194.99652	1.5
211.50891	0.3
226.96848	1.6
235.02783	5.3
260.68677	0.3
305.01663	0.7
323.02646	16.0
324.03378	6.9
413.04034	7.7
488.86996	0.4
517.53333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18994	0.3
53.03939	0.8
55.01849	0.2
55.05498	0.9
57.03439	0.6
57.07075	0.4
58.99591	6.2
61.01148	1.3
62.99073	0.4
65.03934	0.8
65.91143	0.3
67.05219	0.3
67.05511	3.3
69.03438	2.3
69.07067	7.9
69.59182	1.5
70.03790	0.2
70.06586	0.7
70.99550	0.5
73.01141	2.9
75.02668	0.3
77.03900	0.3
79.05496	7.8
80.06297	0.3
81.07072	1.5
81.07462	0.2
82.07807	0.3
83.04964	0.3
83.08607	0.6
84.08170	0.6
85.01151	1.8
85.02908	2.3
85.06561	0.6
86.09693	0.7
87.02695	0.8
90.01395	0.3
93.07054	0.3
95.01326	4.1
95.04956	2.4
95.08614	0.6
96.05742	1.3
97.01105	1.8
97.06532	7.0
98.01907	1.1
99.02053	0.5
99.02682	7.4
101.04245	9.2
102.96781	0.4
103.03886	0.5
104.98327	2.5
105.04534	0.3
105.07021	0.3
107.08603	0.7
109.10186	0.5
111.02673	6.6
111.04450	0.3
111.08051	0.3
112.03458	8.7
113.04234	100.0
114.03040	0.3
114.05040	7.5
115.02146	1.5
115.03819	0.9
115.05788	0.7
115.07558	0.3
116.98323	1.4
117.03741	0.4
121.10228	0.3
124.30178	0.3
125.04183	0.6
125.05986	3.1
125.28959	0.3
127.02146	0.6
128.02873	0.4
129.03705	7.3
130.04517	1.9
130.99849	0.9
131.05280	3.8
133.01414	1.1
133.04893	0.3
136.95494	0.7
139.03899	1.3
139.05676	0.3
142.99852	5.0
143.07028	0.6
144.00621	1.5
145.01410	11.0
145.03156	0.4
146.02141	0.7
146.89478	0.3
147.01024	0.4
147.04762	0.7
153.05463	3.8
154.08099	0.3
158.99336	2.2
161.00919	2.7
163.02475	7.4
169.12573	0.3
170.40439	0.3
174.97078	1.1
176.98599	0.5
177.99458	1.3
179.00145	0.3
185.09775	0.6
186.10194	0.3
187.06088	0.3
192.98119	0.5
193.98894	0.8
194.99670	2.1
196.99297	0.9
198.98871	0.6
203.05597	0.4
215.05519	2.1
226.96884	0.7
227.14081	0.4
235.02803	3.0
251.02339	0.5
288.94946	0.3
305.01563	0.3
323.02640	3.2
324.03418	2.4
325.04239	0.8
364.36264	0.3
413.03900	3.2
414.04962	0.9
424.07816	0.7
503.05441	0.3
503.24625	0.6
503.35901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.56792	0.6
58.99382	0.6
58.99591	6.5
61.01145	1.2
65.03933	1.2
67.05503	3.7
69.03435	0.9
69.07076	3.7
70.06586	2.9
71.55200	0.9
72.08147	1.3
73.00858	0.5
73.01154	5.5
74.01470	0.7
74.61733	0.6
78.96766	0.8
79.05496	7.6
81.03414	1.3
81.07037	1.0
84.04543	0.8
84.08149	0.9
85.01146	1.6
86.09706	2.1
87.02695	0.6
93.07044	1.1
95.04976	2.2
96.05756	2.2
97.01131	5.0
97.06528	2.8
98.01884	5.3
99.02692	9.5
99.10097	0.6
101.04233	5.8
104.98324	2.1
109.02898	0.9
109.73452	0.7
111.02679	13.9
112.03458	14.9
113.04240	100.0
114.05051	4.1
115.02129	1.0
116.98322	1.4
119.08665	0.6
120.08085	0.8
121.01423	2.4
122.01794	0.9
124.68518	0.6
127.02174	2.5
127.03972	0.6
129.03725	7.6
130.04483	0.7
130.99884	4.8
142.98741	1.4
142.99858	26.4
144.00629	4.9
145.01422	7.3
149.09665	0.7
158.99350	14.9
159.11691	0.7
160.00101	1.3
161.00919	8.5
163.02480	11.3
167.05646	0.7
174.97102	1.3
180.99683	0.6
192.98253	1.4
194.99791	1.6
219.13945	0.8
228.07741	0.7
235.02802	1.0
299.06067	1.2
323.02655	75.9
324.03159	1.9
413.04095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.1
57.07065	10.6
57.47905	5.7
58.71793	5.7
61.66047	5.2
67.05508	74.6
69.07055	16.9
71.55863	6.5
71.56260	7.5
73.02923	39.5
79.05495	41.1
81.07059	89.1
83.08601	9.0
84.49339	6.3
85.02908	6.8
91.05476	20.5
93.07063	54.8
95.08611	69.7
97.06528	7.8
104.10736	19.4
105.07036	19.9
107.08592	40.8
109.10159	35.5
117.07008	8.8
119.08568	20.0
120.96620	7.6
121.10171	35.9
123.11690	25.1
125.91267	6.0
131.08574	24.6
133.10136	23.0
135.11665	20.3
139.11133	6.9
145.10112	12.8
147.11679	11.0
149.13258	22.9
156.01320	5.5
158.72934	6.4
159.11693	12.9
161.13303	13.1
163.14835	15.3
170.72672	5.8
173.13234	18.1
177.16525	6.9
212.92041	7.7
243.21201	35.4
261.22171	100.0
335.25797	20.8
353.26917	44.5
420.06055	7.1
459.24991	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	502.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91248	2.1
55.05511	13.7
57.03447	14.4
57.07083	36.3
59.04993	7.3
67.05511	97.8
69.07066	7.1
71.05003	3.3
71.08648	27.6
71.54851	3.0
78.33965	2.7
81.07053	21.3
83.08640	15.8
85.10197	13.0
89.06041	2.4
91.05478	4.5
93.07035	4.4
95.08630	20.5
97.10140	4.7
107.08566	3.3
109.10162	82.2
111.08104	3.0
119.08575	5.2
123.11732	2.9
137.09625	3.4
155.10704	4.4
167.05588	5.1
173.11745	26.8
214.18866	2.8
229.14368	100.0
299.06207	5.0
313.27386	96.9
467.37332	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
56.05034	0.8
58.06605	2.5
58.99583	2.4
59.96732	0.5
60.43066	0.4
61.01156	0.8
63.94439	1.4
66.39100	0.4
67.05517	0.6
70.06594	2.0
71.55145	0.4
72.08183	0.5
73.01144	100.0
74.00683	0.7
74.02460	0.7
76.02235	4.0
78.96779	17.1
79.05499	0.4
81.07063	0.4
84.04508	13.1
84.08167	0.8
85.02882	0.6
86.09705	0.7
89.04257	1.7
96.08148	2.1
97.01087	0.3
99.02680	9.3
101.04255	1.1
104.98316	0.5
111.02698	0.7
112.04025	3.6
113.04236	4.0
115.05780	2.4
116.01672	2.3
116.05321	10.8
116.07078	3.5
121.01431	70.6
124.07594	2.7
126.09185	0.5
127.02140	0.6
130.05023	2.1
130.99849	0.5
142.03215	1.5
142.08629	2.0
142.99863	0.5
144.01173	0.7
144.04794	0.6
145.01355	0.4
145.03215	0.4
147.02945	0.5
158.99362	0.6
160.00584	0.4
162.02216	2.8
163.02489	0.4
170.08130	10.9
179.04877	4.5
182.06320	0.4
195.03326	18.5
202.05341	8.8
219.07983	14.1
220.52347	0.4
227.14485	0.4
229.06271	0.4
233.06009	0.4
245.05879	0.7
245.09673	0.9
257.84314	0.3
273.08997	2.7
308.08926	1.1
323.02567	2.5
330.11221	0.6
348.12262	6.6
367.53644	0.4
405.96082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
56.05039	0.9
58.06606	2.7
58.99591	2.2
63.94444	1.4
65.03934	0.6
65.90965	0.5
67.05506	0.8
68.05013	0.6
69.07098	0.6
69.91518	2.2
70.06596	1.9
72.08131	0.5
73.01147	100.0
76.02227	5.2
78.96782	17.7
80.95420	0.4
81.07063	0.7
82.06602	1.0
83.31553	0.5
84.04509	16.2
84.08132	0.9
85.02895	0.5
96.08133	3.2
99.02686	10.3
101.04232	1.2
111.02687	1.1
112.04005	4.8
113.04246	6.7
115.05820	3.0
116.01673	2.0
116.04573	0.4
116.05325	12.8
116.07105	4.1
121.01436	76.6
124.07616	2.4
126.09171	0.8
127.02184	0.6
129.06644	0.6
130.05009	2.0
142.03223	1.0
142.08640	2.2
142.99763	0.5
144.01143	0.7
144.04790	0.7
145.01447	0.5
147.02974	0.5
158.99365	1.3
160.00636	0.5
161.00873	0.6
162.02213	2.6
163.02472	0.7
170.06734	0.8
170.08142	13.3
179.04877	5.1
182.06401	0.8
188.62523	0.4
195.03331	20.5
202.05341	12.0
215.58684	0.4
219.08003	17.7
229.06421	0.6
245.09557	1.8
273.09073	2.2
291.06226	0.6
308.08868	1.0
323.02530	1.5
330.11142	1.1
348.12241	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	502.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.6
55.05514	10.9
56.05032	10.6
57.03447	5.1
58.06607	21.1
58.99580	14.9
61.01149	12.8
61.02909	3.3
67.05505	9.8
67.84886	3.4
68.05023	5.2
69.03426	10.3
69.07076	18.8
69.58013	27.6
70.02951	4.8
70.06595	52.6
71.06921	3.7
72.08158	27.4
73.01147	22.8
73.05293	7.5
74.00658	11.3
74.02466	6.7
74.06077	11.7
76.02240	19.2
76.04005	11.6
79.05488	4.5
81.03427	7.6
81.07081	7.6
82.62688	4.3
84.04031	7.1
84.04506	91.7
84.08147	36.4
85.02907	12.1
85.04035	12.8
86.09212	7.1
86.09711	100.0
86.99061	8.0
87.02692	4.2
87.05579	5.7
87.10039	5.2
88.02233	7.0
88.03987	4.1
90.51500	3.6
91.05459	8.8
93.07054	5.0
93.67732	4.1
95.01350	4.4
95.04982	7.6
96.08118	4.5
97.02916	5.6
97.06516	8.1
98.06075	36.9
99.02684	36.6
99.05574	11.1
100.02229	4.3
100.03441	8.6
100.07593	8.2
101.04228	5.6
101.07137	5.7
102.05541	8.3
104.98315	16.4
109.02855	6.0
109.10135	5.0
110.07151	13.4
112.04053	18.2
112.04647	3.7
112.07632	3.9
113.04234	23.2
114.03755	52.7
115.02160	4.4
115.08632	3.6
116.01675	10.4
116.05322	73.1
116.07090	30.3
118.06872	8.8
120.08115	10.4
120.97795	7.1
121.10139	4.5
124.07575	4.7
125.05923	3.8
126.05515	52.7
127.05012	6.0
128.02939	10.0
128.05759	4.3
129.04243	7.9
129.06580	6.0
129.10228	18.8
130.05019	59.0
131.04501	5.5
131.05356	5.6
136.07610	7.3
140.07048	7.3
142.03181	7.1
143.11806	8.1
144.01184	5.0
144.07693	10.3
145.01443	4.8
145.06094	16.7
146.00873	4.3
146.06853	14.4
146.11798	8.5
147.07645	15.9
156.06544	16.7
160.00670	6.8
160.04224	3.7
162.02208	17.0
164.07071	4.6
170.08150	11.6
171.07578	6.8
171.11275	3.6
172.07182	15.4
173.09247	64.8
177.03325	14.9
179.04843	19.2
180.11334	5.6
182.06653	8.4
187.14380	4.2
194.99664	4.6
199.07182	8.5
200.07973	4.5
201.08728	32.4
202.05350	33.0
206.09019	6.7
209.15335	8.9
217.06415	33.6
219.07990	88.4
247.11182	16.2
247.16470	5.2
249.03558	6.5
251.05247	5.2
257.10016	6.6
270.01117	6.3
274.10272	12.1
275.11081	47.8
281.00784	7.9
284.03259	32.6
285.15588	16.2
306.07553	12.3
307.10553	17.4
338.04266	7.9
339.05426	15.5
348.12213	49.7
349.12964	7.9
373.03708	5.5
380.09836	3.9
413.07425	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40814	3.6
55.01868	8.9
55.05509	6.6
56.05035	8.1
57.02161	3.3
58.06591	14.1
58.99588	14.8
61.01156	9.3
63.21947	3.6
67.05508	9.9
69.03432	5.6
69.07053	13.2
69.80845	15.8
70.06263	4.3
70.06604	54.4
72.08176	29.9
73.00807	4.0
73.01153	28.7
73.05299	8.3
74.00666	11.4
74.06088	6.2
76.02235	18.7
76.04003	10.4
79.05499	4.9
81.03428	6.0
81.07049	6.2
82.06576	4.8
83.04959	3.6
83.06097	6.2
84.04516	80.1
84.08150	29.4
85.02913	12.6
85.04018	12.5
85.06531	4.3
86.09212	6.1
86.09718	100.0
86.99068	5.8
87.05571	7.5
87.10037	3.9
88.02229	5.9
88.03997	3.8
91.05527	3.5
95.01344	4.4
95.08591	6.9
96.08155	4.0
97.06541	5.4
98.06065	33.5
99.02689	30.9
99.04501	3.6
99.05585	6.8
100.03444	6.7
100.07628	8.3
101.04201	4.2
101.07144	4.7
102.00099	5.9
102.05579	4.4
104.98332	16.7
107.08557	5.6
108.28003	3.4
109.10139	6.2
110.07176	12.8
112.03983	13.4
112.08722	3.4
113.04216	17.1
114.03777	34.6
114.66992	3.7
115.02164	5.5
116.01682	9.5
116.04558	5.1
116.05339	56.0
116.07120	24.6
118.06867	8.3
120.08119	9.1
120.97786	7.7
121.10111	4.5
126.05524	44.0
127.03921	5.1
127.05083	10.4
128.02917	9.7
129.10240	22.7
130.05022	56.4
135.11629	4.8
141.23270	3.5
142.03235	4.7
143.11803	6.5
144.01173	4.1
144.07663	6.3
145.01488	5.3
145.05048	3.4
145.06085	15.6
146.06905	11.9
146.11784	9.6
147.07703	10.4
153.06712	4.5
155.08115	6.3
156.06580	13.7
161.10767	3.4
162.02252	11.9
170.08180	13.1
172.07111	19.4
173.09222	49.8
173.12796	3.7
177.03326	13.0
179.04863	13.8
182.06458	6.1
199.07161	8.4
201.08751	23.7
202.05411	31.3
212.36284	3.4
216.05655	8.6
217.06503	16.1
219.08029	84.8
247.11134	12.7
251.05231	5.3
257.10172	9.4
257.16125	3.8
273.09283	3.4
274.10382	15.7
275.11145	42.2
281.00906	5.8
284.03226	19.8
285.15561	13.7
286.15839	4.6
306.07498	4.8
307.10513	16.7
338.04153	4.7
339.05405	8.1
348.12344	44.1
349.12875	8.3
413.07452	80.3
423.20969	3.8
424.13632	4.4
461.09082	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	502.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
55.05503	3.4
56.05025	4.2
58.06595	3.7
58.99570	1.4
59.06130	1.1
59.92166	1.0
63.94096	0.9
68.05028	2.3
69.03429	1.5
69.07083	9.2
69.96328	1.1
70.06595	25.1
70.51771	2.0
70.52142	2.1
70.99566	1.6
71.06946	1.0
72.08157	22.5
73.01146	18.5
74.00661	2.2
74.06081	1.6
76.02229	1.7
76.03999	3.1
78.96753	1.2
81.03422	1.3
83.06111	1.6
84.04509	62.0
84.08139	13.6
85.02892	2.8
85.04036	18.3
86.06040	1.6
86.09709	100.0
87.05586	2.8
87.10032	1.3
88.03954	1.5
88.95227	1.9
91.05495	7.2
93.07054	0.9
95.04976	1.2
96.08142	12.8
97.02882	0.9
98.06065	1.2
99.05573	2.7
101.07144	2.1
102.05529	6.0
102.96762	1.9
103.05442	1.0
103.97541	9.1
104.98340	1.3
105.97842	60.0
106.98633	4.5
107.99400	1.6
109.02868	1.0
110.07185	2.7
112.03977	2.2
112.07598	1.1
112.11295	0.8
113.03496	6.1
113.04134	1.1
114.09260	1.0
115.08730	1.1
116.05356	1.1
116.07082	4.1
120.08086	6.4
124.07588	10.7
126.05501	1.2
126.09191	1.6
127.08636	1.7
129.06589	6.7
129.10258	9.2
129.69205	0.9
130.05022	15.9
131.04523	32.1
131.08112	1.1
132.10300	1.2
136.07588	1.5
136.95497	16.3
139.96552	3.8
141.06589	3.3
141.10219	0.9
142.03273	1.3
142.08612	5.8
143.04488	2.6
143.11853	1.3
144.06552	5.0
145.06090	7.1
145.07619	2.8
147.07671	1.3
152.06964	1.2
153.06586	2.4
156.06566	1.7
157.09586	1.2
159.07744	2.2
159.11218	1.0
161.09248	3.7
162.97034	1.3
170.08154	40.8
170.09650	4.1
171.11241	1.6
172.11226	1.6
173.09239	1.3
173.54012	1.1
177.03311	2.5
179.99699	10.5
181.06152	1.4
183.11288	1.2
185.16551	2.9
187.07167	2.3
187.12436	1.2
190.96530	1.1
197.12975	1.2
198.09100	3.5
199.07198	2.7
199.18059	1.2
201.09235	1.4
201.12268	2.3
203.10576	1.3
203.13936	2.8
205.97702	1.3
209.00510	19.4
210.01326	4.9
212.10510	1.0
213.12422	5.2
213.15939	2.4
214.11810	1.2
215.11813	36.5
215.13625	1.3
219.07881	1.3
229.15553	1.4
233.97066	0.9
240.09842	3.8
242.99294	12.2
243.04504	1.6
243.11273	9.7
243.13393	1.5
245.18716	2.2
258.10800	2.8
263.01633	2.3
264.02295	1.9
265.99710	4.9
271.14108	1.4
272.16159	1.6
274.17642	1.4
283.02386	41.2
284.98477	1.0
300.15518	7.1
309.03882	1.5
328.20172	6.2
337.03503	9.8
338.04810	1.7
339.05603	10.3
353.18109	1.3
356.19553	1.9
371.23068	1.5
371.95337	1.1
389.18167	12.7
399.22391	1.2
412.06714	22.3
484.26782	1.4
502.19955	1.2
502.25790	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	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19882	1.5
55.05516	25.8
57.03439	15.8
57.07088	12.3
59.05001	5.9
65.03960	1.8
67.05511	100.0
69.07074	30.0
69.23106	2.7
69.23508	13.9
71.04982	3.2
71.08640	7.8
71.15559	1.6
75.18839	1.6
79.05527	1.9
81.07065	18.5
83.04985	1.9
83.08620	29.4
85.06548	2.8
85.10176	2.4
91.05487	6.0
93.07050	3.4
95.08609	8.3
97.10184	18.2
107.08599	5.8
109.10165	83.4
111.08086	3.8
111.11731	6.4
119.08580	6.3
121.10168	2.8
122.37505	1.6
124.43291	1.7
135.11739	1.8
137.09639	3.0
155.10670	5.3
173.11739	28.8
177.41394	2.1
179.08270	2.3
229.14375	95.0
283.26294	2.5
301.37674	1.9
311.25821	81.6
465.35812	61.2
500.46893	5.3
511.16592	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.2
54.59148	2.7
55.01871	6.5
55.05519	32.5
57.03444	33.2
57.07068	7.0
58.06593	2.9
60.08163	15.1
61.02650	5.5
61.02934	79.9
65.57229	2.8
67.05508	98.1
69.03436	39.1
69.07072	36.1
70.62464	6.9
71.01351	6.7
71.04987	8.5
71.07391	5.6
71.08641	8.8
73.02928	37.9
75.04453	3.1
79.05496	36.0
81.03426	25.1
81.07065	98.3
83.04980	8.6
83.08638	23.2
85.02427	5.8
85.02915	77.9
85.96338	2.5
86.09712	36.7
86.93357	2.7
87.10033	11.9
91.03973	41.4
91.05487	24.1
93.06538	4.6
93.07050	40.8
95.04944	5.6
95.08614	71.2
97.02895	60.0
97.06533	8.8
97.10175	10.9
99.04453	11.1
101.02393	14.8
103.03937	8.2
104.10066	3.4
104.10755	62.0
105.07054	21.5
105.10586	2.5
105.11103	24.7
106.11237	5.5
107.08598	25.2
109.02906	14.0
109.06505	4.6
109.10171	33.5
111.08059	4.9
113.68805	3.5
115.03905	5.1
117.05521	3.8
119.08598	20.6
121.10149	23.3
123.11714	14.3
124.99995	12.0
126.00324	3.2
127.00419	6.9
127.03938	33.0
129.05470	7.7
131.08569	5.6
133.10121	12.9
135.11707	10.9
137.13261	10.2
145.04965	12.3
145.06090	3.0
145.10124	4.7
147.11687	11.8
149.13268	10.1
151.11166	3.7
151.14856	5.9
157.10182	4.0
161.13269	11.4
163.14822	7.3
175.14825	9.6
183.06577	9.2
184.07356	33.7
185.07736	21.7
186.07774	30.3
187.08006	7.2
236.15167	2.9
245.22629	13.7
263.23819	28.2
325.30594	3.2
337.23230	4.8
337.27365	100.0
343.26553	2.7
354.44086	3.0
365.27002	5.5
371.25818	5.7
379.28122	4.1
389.26520	3.4
411.15491	3.0
453.68039	3.2
481.32520	11.8
499.34290	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	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01878	4.8
55.05307	2.4
55.05517	28.8
57.03442	33.3
57.07069	7.3
61.02930	61.1
65.03939	4.1
67.05511	88.6
69.03082	2.5
69.03439	41.2
69.07069	39.2
69.81401	11.4
70.24388	2.1
71.01357	6.7
71.04984	6.9
71.08622	5.4
73.02922	29.4
79.05498	39.5
81.03423	29.4
81.07064	100.0
83.04977	7.6
83.08630	24.0
85.02911	66.8
85.03394	1.8
85.06546	4.9
85.10225	2.1
87.04484	4.7
91.03964	31.1
91.05486	26.7
93.07055	32.6
95.04971	6.4
95.08615	77.4
96.75579	1.9
97.02901	58.1
97.06526	5.7
97.10198	9.7
99.04452	12.2
99.08109	4.7
101.02383	13.9
103.03938	7.6
105.07045	24.3
107.08591	30.8
109.02885	11.8
109.06547	2.7
109.09461	3.1
109.10162	27.7
111.08056	7.5
111.11720	3.8
115.03933	4.5
117.07011	5.2
117.20179	2.3
117.95874	2.1
119.08594	15.6
121.06517	4.0
121.10139	18.0
123.08048	4.5
123.11730	16.1
125.09659	4.3
127.03928	22.9
129.05450	4.6
129.06982	2.7
131.08580	5.9
133.10141	14.5
135.11688	13.4
137.09656	4.4
137.13283	6.3
139.11189	2.2
143.08574	3.8
145.04987	9.7
145.10135	3.6
147.08142	2.2
147.11717	13.0
149.13272	10.0
151.14796	5.7
153.12708	2.5
157.10191	2.1
161.13239	13.1
163.14807	8.4
165.12732	3.6
171.11795	2.4
173.13345	3.5
175.14813	8.4
183.06520	4.6
187.14896	2.9
189.16376	3.8
201.07620	4.3
201.16333	2.8
243.21100	2.4
245.22720	11.0
261.21957	2.3
263.23718	23.9
303.23199	2.4
329.24722	2.5
335.25809	2.2
337.27383	89.2
338.27744	2.9
341.24487	2.4
347.25787	3.0
365.26935	3.9
371.25830	6.9
379.28137	2.1
383.24942	2.1
389.26947	2.7
407.27875	2.7
445.29108	2.8
481.31482	6.1
499.32727	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	499.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.0
69.75301	1.2
70.69154	1.5
70.69498	3.0
81.03399	1.3
82.99866	2.7
92.77262	1.3
94.99883	1.4
97.02856	1.6
98.97585	5.2
101.00890	19.5
103.02450	5.1
109.02890	1.4
110.97595	1.8
113.00872	5.2
116.98645	1.7
119.01926	29.5
121.03535	3.0
127.02404	13.0
128.98642	2.3
131.01918	19.4
133.03430	1.5
137.02962	2.2
137.48880	1.2
139.02429	3.7
140.98737	1.4
143.01910	29.7
145.03473	56.1
147.01401	2.7
149.02974	2.6
155.01907	31.4
156.98143	2.6
157.03491	23.8
158.99695	3.1
159.05051	1.8
161.02966	25.7
163.04556	4.5
167.01889	16.4
169.03455	5.2
170.99687	2.2
171.01395	7.2
171.05042	4.2
173.02982	51.6
174.99187	7.7
175.00476	1.2
175.04561	3.7
179.01962	4.6
181.03459	2.2
183.01363	2.7
185.02972	51.6
187.04590	6.2
189.00871	2.8
189.02477	8.6
191.04036	2.5
191.25513	1.5
193.00208	4.8
194.66985	1.2
197.02968	17.4
199.00874	5.7
199.04524	4.1
201.00728	6.8
201.02441	2.7
203.04027	13.3
209.02982	4.2
215.04037	12.7
217.00249	3.4
217.01970	64.0
219.01778	5.4
221.05101	5.9
227.03975	12.2
229.01964	12.6
229.05573	1.6
235.03055	18.7
237.02762	2.0
238.41141	1.4
239.03934	1.8
243.01762	1.5
245.05096	100.0
246.05292	3.0
247.03018	14.3
247.06805	2.2
253.01976	1.4
257.05115	13.5
258.04721	1.6
259.02707	1.6
261.02859	5.4
263.06192	12.0
265.04041	2.3
275.06119	14.7
277.04135	19.3
277.07251	1.9
279.03717	2.3
293.07181	4.8
301.04086	11.0
304.70908	1.6
305.07251	10.8
319.05203	28.1
321.04752	2.3
335.08203	6.2
337.06296	31.5
365.09302	9.9
428.10382	1.3
481.09180	2.5
499.11200	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	499.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03395	1.3
69.90544	1.4
71.55031	1.8
73.36591	1.3
73.66579	1.1
75.12238	1.0
82.99856	2.8
94.99883	1.2
95.67536	1.2
99.72143	1.2
101.00892	15.7
103.02458	3.2
113.00885	5.0
119.01933	27.8
121.03502	1.3
127.02430	12.7
129.03966	1.9
131.01920	17.3
133.03551	1.8
134.48462	1.2
137.02946	3.5
139.02388	4.9
140.25751	1.2
143.01918	24.8
145.03479	49.7
147.01384	4.0
147.53323	1.3
149.02965	3.6
155.01910	29.9
157.03476	20.6
161.02965	25.0
163.04541	3.4
167.01936	10.3
169.03566	5.7
169.04797	1.2
171.01450	7.9
171.05058	2.6
173.02979	47.9
175.04512	4.4
179.01886	4.0
181.03572	1.3
183.01376	2.1
185.02974	53.9
187.04544	4.7
189.02466	8.7
191.04008	2.0
193.01999	2.5
196.04767	1.4
197.02988	21.9
199.00867	5.4
199.04547	2.3
201.02501	3.4
203.04001	13.7
209.02968	3.0
211.18539	1.3
211.37491	1.2
215.04037	10.2
217.01958	62.2
218.02063	1.5
221.05096	5.2
227.04013	10.7
229.01921	9.6
229.05585	1.7
235.03000	19.2
239.04044	2.7
245.05093	100.0
246.05293	2.6
247.02972	10.4
253.04254	1.7
257.05096	14.2
258.04651	1.6
259.03067	1.5
263.06168	12.9
264.14563	1.4
269.30835	1.3
275.06146	13.6
277.04056	19.4
288.89221	1.3
293.07144	3.6
301.04114	10.1
305.07196	10.0
319.05109	28.8
335.08096	4.7
337.06131	34.2
365.09329	9.6
480.17120	1.4
499.11407	28.7
518.99396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.7
55.05499	2.7
56.05031	1.2
56.11591	0.9
57.02645	0.9
57.03436	3.9
58.06606	14.7
58.99582	9.2
61.01136	1.4
64.77683	1.0
64.87257	1.0
65.03956	2.2
67.05504	4.0
68.05037	1.5
69.03075	2.0
69.03434	28.0
69.07067	1.7
70.06598	18.1
71.13299	1.3
72.08164	3.6
73.01146	58.6
74.00661	2.3
76.02232	17.7
76.04015	2.0
79.05508	5.3
81.03432	1.1
81.07063	2.6
82.06600	1.8
83.04990	1.9
84.04515	7.0
84.08151	6.0
85.02418	1.8
85.02910	25.9
85.06522	1.2
86.00667	1.1
86.09705	7.8
86.99078	1.7
88.02204	1.1
93.07034	1.4
95.01333	48.3
95.04965	10.0
95.08624	1.3
97.02898	1.3
97.06548	6.5
99.02680	24.9
99.04458	1.0
101.04250	2.0
103.03950	1.9
104.98314	1.5
106.99887	16.5
107.04975	2.0
110.07165	1.9
111.02663	7.4
111.04475	1.3
112.03329	2.2
112.04063	7.8
113.02332	3.7
113.04246	1.8
113.05992	2.1
114.03036	2.3
115.03841	1.5
116.01687	12.1
116.05324	47.9
116.07095	24.5
116.07928	1.3
120.08110	4.9
123.04438	4.4
125.02357	1.7
125.05998	44.6
127.02192	1.9
127.03922	4.8
128.02921	4.0
129.10228	2.8
130.02509	2.1
130.05032	5.2
130.99883	1.3
131.04536	1.5
132.99490	1.1
136.07619	1.1
137.05994	1.6
138.11842	0.9
141.05499	3.0
142.99805	2.3
143.07056	3.3
144.01144	4.5
148.02524	1.6
151.03902	7.5
153.05469	44.0
158.99477	1.3
160.00639	1.9
162.02220	18.0
174.97101	2.6
177.03271	2.9
177.97383	1.8
178.98199	1.8
179.03442	1.7
179.04868	20.8
187.06090	1.6
192.98105	5.7
193.98409	0.9
194.97678	10.9
197.04474	26.0
200.03716	1.5
202.05330	28.5
214.07234	1.6
215.05513	76.3
216.05817	1.2
219.07991	100.0
228.03246	1.6
251.05222	9.5
255.08644	6.4
272.05643	1.8
284.98923	1.9
300.05432	2.1
375.08517	5.8
425.06830	1.6
499.08893	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	499.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.05510	3.1
57.03442	6.6
58.99591	13.3
61.01147	3.3
62.78932	1.1
62.99062	1.3
65.03938	3.1
67.05507	13.0
67.50901	1.3
69.03078	2.6
69.03436	41.3
69.03813	2.7
69.07076	17.6
70.06604	6.3
71.35011	1.6
71.35345	1.3
72.08141	3.7
73.01143	7.6
79.05498	12.1
81.07068	6.2
83.01360	2.0
84.08143	2.7
85.02910	41.6
85.06551	2.0
86.09702	4.3
87.02692	3.4
87.04442	1.2
89.00639	1.5
90.01402	3.3
91.02146	1.6
91.05487	2.5
93.07040	2.6
95.01336	66.2
95.04984	11.6
95.08617	2.0
96.05755	18.3
97.01094	3.3
97.02882	1.6
97.06541	31.2
99.02694	11.2
99.04479	1.2
99.08089	1.8
101.03637	1.8
101.04252	25.2
103.02215	1.3
103.03946	3.7
104.98320	3.8
105.07041	1.9
107.04939	2.7
107.08582	3.2
109.02853	1.2
111.02670	16.6
112.03455	38.1
113.04238	100.0
113.05957	2.8
113.47291	1.2
114.05000	3.5
115.02142	3.2
115.05735	1.2
116.98314	4.5
118.99861	4.6
119.88293	1.2
120.08076	1.2
123.04461	3.5
123.07981	1.1
125.05997	57.5
127.02116	6.1
127.03932	4.3
128.55280	1.3
129.03719	21.6
129.10254	2.0
130.04485	16.3
131.05270	10.4
133.01434	4.0
136.95488	2.8
141.05470	3.0
142.99864	7.0
143.07053	5.4
144.00594	3.7
145.01418	34.0
145.03145	1.7
151.03854	1.3
153.05481	46.2
154.96588	1.6
159.11737	1.9
161.00914	33.4
163.02480	7.2
176.98682	4.9
177.12756	2.6
187.06044	3.2
192.98035	1.5
194.99693	92.0
197.04521	3.8
215.05533	47.0
243.15982	2.7
244.16107	1.3
251.02357	1.6
254.50192	1.3
267.07544	1.3
269.17529	7.2
270.17923	3.5
285.01093	5.1
305.18155	1.2
313.88791	1.4
327.28659	1.5
409.04510	27.3
499.21854	1.7
509.80157	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27711	2.6
57.03437	8.1
58.99591	13.2
61.82152	2.1
66.92387	2.5
67.05505	6.5
69.03432	68.7
69.07069	30.2
70.72706	5.1
70.73051	2.9
71.48175	2.9
73.01128	6.8
79.05497	16.1
81.07043	3.3
83.01357	2.7
83.04980	3.4
85.02428	4.3
85.02910	59.5
87.02660	2.6
90.01397	4.7
95.01334	100.0
95.04984	11.9
96.05756	4.4
97.01127	6.8
97.02866	2.8
97.06535	46.2
99.02689	9.5
101.04249	28.6
103.03921	3.2
104.98312	5.5
111.02678	14.0
112.03455	39.7
113.02373	3.9
113.04241	87.7
113.05983	3.8
114.05058	2.9
115.02150	3.3
122.99301	2.8
123.04438	4.3
125.06002	91.1
127.02144	3.9
127.03938	4.4
129.03706	20.0
130.03624	2.2
130.04468	14.8
131.05316	13.8
133.01430	9.6
134.99344	2.3
136.95491	3.6
141.05496	5.0
141.07225	2.5
142.99858	2.9
143.07059	6.7
145.01422	72.9
151.03917	3.6
153.05476	93.6
154.96544	3.8
161.00882	9.2
163.02478	8.7
169.04985	3.4
176.98611	6.4
177.99460	3.4
194.97990	4.5
194.99684	48.5
197.04465	11.7
215.05507	85.9
223.77242	2.2
245.28017	2.6
285.01242	2.7
342.07217	2.6
345.69498	2.4
409.04227	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	499.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
53.54152	0.8
55.01860	1.7
55.05496	1.3
57.03428	5.1
57.07072	1.1
58.99290	0.8
58.99588	14.8
61.01143	2.8
62.99067	1.6
65.03932	1.6
65.62339	0.8
67.05505	9.9
68.06254	0.8
69.03432	34.4
69.06719	1.4
69.07069	17.6
69.90252	4.4
70.06580	1.2
72.08148	0.8
73.01141	8.3
75.02724	1.0
79.05126	0.9
79.05503	11.2
80.06255	0.9
80.41608	0.8
81.07046	1.9
83.01342	1.2
83.04996	1.6
83.60073	0.7
84.08108	1.0
84.92962	0.8
85.01155	1.2
85.02906	42.7
85.06579	1.0
87.02680	3.3
87.04437	1.9
89.00620	1.9
90.01393	4.9
95.01334	59.0
95.04967	8.9
96.05750	4.3
97.01113	4.6
97.02893	1.6
97.06535	29.4
99.02675	9.9
99.04433	1.6
99.08106	0.7
101.04244	29.7
101.06010	0.8
103.03947	2.8
104.98299	2.5
107.04951	1.9
109.02886	0.9
111.02671	16.3
112.03458	42.5
113.02365	2.8
113.04232	100.0
114.05002	3.4
115.02139	3.3
115.05794	0.9
115.07603	1.0
116.98290	1.3
122.99353	1.9
123.04426	2.5
125.05994	51.0
127.02139	3.2
127.03902	3.9
129.02805	1.5
129.03708	18.9
130.04491	17.9
130.99872	1.1
131.05272	11.4
133.01422	6.8
136.95493	2.8
141.05440	2.9
142.99854	6.3
143.07057	5.3
144.00606	2.2
145.00262	1.9
145.01418	39.2
147.04761	1.6
151.03909	1.6
153.05472	52.1
154.96516	2.4
161.00937	5.9
161.41927	0.9
163.02481	9.4
176.98633	3.5
180.99509	1.0
187.06036	3.0
194.99681	99.5
197.04378	4.1
215.05510	43.7
235.02617	1.6
245.65878	0.7
247.71590	0.7
285.01059	5.8
409.04437	17.4
460.76944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
57.03428	5.7
58.99589	13.2
61.01136	3.2
61.87482	1.6
67.05508	9.4
69.03088	2.5
69.03438	45.9
69.07069	19.3
70.45953	5.2
73.01154	8.8
79.05500	11.7
81.07041	2.7
83.01345	3.3
85.01163	1.5
85.02911	44.3
86.55065	1.5
87.02684	3.4
89.00613	1.3
90.01402	2.7
91.07341	1.3
92.57348	1.6
95.01337	75.9
95.04956	7.8
96.05753	3.9
97.01109	4.7
97.02916	1.9
97.06538	38.9
98.20752	1.6
98.34563	1.5
99.02700	11.9
99.04449	1.6
101.03639	2.3
101.04252	32.0
103.03946	2.5
104.98315	2.8
107.08603	1.9
111.02675	17.7
112.03458	47.3
113.02429	3.2
113.04240	97.4
113.05978	4.4
114.05003	5.1
115.02164	1.9
123.04436	2.2
125.06006	59.6
127.02168	2.3
127.03922	4.6
129.02814	1.9
129.03722	18.4
130.04520	16.1
131.05270	13.2
133.01396	7.2
136.95555	2.8
141.05460	5.0
142.99864	5.0
143.07039	4.4
144.00586	2.3
145.00269	2.4
145.01421	43.3
151.03958	2.5
153.05478	63.3
154.96556	4.1
160.54486	1.5
161.00877	4.9
163.02487	8.7
176.98605	5.2
177.99451	1.9
187.05998	4.1
194.99690	100.0
197.04491	4.1
215.05525	51.3
215.07602	2.5
249.58638	1.5
251.10312	1.4
285.01022	6.4
409.04465	19.1
463.60059	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05506	1.9
57.03443	9.0
57.07077	2.9
58.99589	15.3
61.01149	2.9
61.61780	2.1
62.99072	2.3
65.03925	2.7
67.05510	11.1
69.03434	58.7
69.06772	1.8
69.07072	19.5
70.84820	3.6
73.01134	8.5
74.51496	1.4
75.64684	1.4
79.05499	15.0
81.07050	2.2
83.04964	2.6
84.82282	1.6
85.02912	61.4
85.06541	2.7
86.09717	1.7
87.02694	2.7
87.04465	1.8
89.00627	2.1
90.01403	5.3
95.01335	100.0
95.04954	16.9
96.05734	5.1
97.01110	5.1
97.02905	2.8
97.06535	50.3
99.02682	14.2
101.04250	32.2
103.03955	4.5
104.98316	3.8
107.04919	2.7
107.08566	1.6
111.02666	15.0
112.03457	46.6
113.04238	92.8
113.05991	5.5
114.05001	6.5
115.02177	3.9
122.99325	2.2
123.04446	4.4
125.06001	83.6
127.02136	3.5
127.03910	4.8
128.02910	1.9
128.97353	1.6
129.03706	23.9
130.04497	17.9
131.05286	19.5
133.01399	7.4
141.05444	5.0
142.99857	7.0
143.07018	6.2
145.01416	59.4
151.03891	3.8
153.05479	87.3
154.96519	6.1
161.00928	8.3
163.02441	9.4
168.94476	1.7
176.98633	6.9
177.99413	3.7
179.03447	1.9
187.06010	4.8
192.64944	1.8
194.98285	1.7
194.99692	62.1
197.04474	6.8
215.05521	77.4
285.01047	3.8
409.04532	9.5
497.86002	2.0
518.09515	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	499.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.7
54.13643	1.4
55.01873	2.8
55.05503	4.5
55.68335	1.5
57.03441	8.0
57.03683	1.5
57.07076	2.0
57.07353	1.5
58.99589	19.0
59.63504	1.5
61.01151	3.7
64.39531	1.7
65.03927	2.6
67.01833	1.5
67.05511	11.9
69.03434	58.0
69.07075	29.1
69.53561	8.1
69.67487	1.7
70.06306	1.5
70.06599	17.5
72.08144	5.9
73.01151	12.9
79.05492	13.7
81.03391	1.9
81.07049	4.4
83.01303	2.1
83.04108	1.5
83.04996	3.0
84.04478	3.6
84.08158	8.3
85.02908	60.4
85.06522	2.3
86.09725	11.6
87.02695	3.6
87.04487	2.1
90.01399	5.4
93.07034	2.7
95.01335	98.1
95.04962	11.2
96.05743	7.2
97.01099	5.3
97.02913	4.1
97.06538	46.2
99.02682	15.7
99.04433	2.5
101.04252	40.8
102.05585	1.7
103.03968	3.5
103.97514	1.5
104.98311	5.8
107.04945	5.0
107.08588	3.6
109.02871	1.7
109.10166	1.7
110.07210	1.8
111.02676	23.7
112.03462	48.9
113.04239	100.0
113.05963	5.2
114.05064	2.9
115.02095	3.9
115.03889	2.3
115.05798	2.2
115.07577	2.2
119.08611	2.0
120.08108	3.1
122.99369	3.3
123.04420	3.2
123.83761	1.7
124.06815	1.6
125.06001	77.9
127.02100	3.2
127.03912	5.3
128.02960	2.5
129.03709	24.5
129.10245	3.8
130.04482	23.0
131.05292	18.4
133.01405	10.4
136.95506	3.1
137.09671	1.7
139.05719	1.6
141.05458	4.9
142.99823	6.4
143.07072	2.4
144.00613	2.2
145.01416	49.9
151.03893	3.6
153.05473	84.8
154.96561	2.8
161.00902	6.8
163.02454	8.2
169.04915	3.3
173.13168	1.7
174.97090	2.2
176.98608	9.0
187.06075	2.2
194.99690	86.9
197.04440	6.1
215.05516	58.6
215.30798	1.7
243.56523	1.4
280.28372	1.6
285.01227	8.7
409.04431	12.5
483.48737	1.7
492.40994	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12207	0.3
60.04490	0.3
68.05017	0.3
69.03446	0.4
69.07070	0.3
70.06596	100.0
71.06938	0.9
71.54500	0.5
72.08156	2.6
72.51165	0.3
73.08501	0.6
74.06093	0.6
77.84609	0.3
83.06119	1.0
84.04520	0.6
84.08168	0.4
85.02899	0.5
86.09712	5.0
88.03990	0.3
98.00149	0.3
98.06059	0.3
110.07188	0.4
114.09168	0.3
116.07112	1.3
120.06583	0.7
121.06631	0.3
129.10248	1.8
130.05051	0.5
130.10602	0.4
136.07629	0.4
137.06004	1.8
141.10225	3.4
151.07634	0.4
155.08279	0.3
159.67258	0.3
167.11801	0.3
169.09726	2.9
176.34322	0.3
180.11322	0.7
181.08609	0.7
181.09982	0.3
181.11598	0.5
183.14941	22.6
185.09837	1.2
199.10872	1.2
201.08762	0.4
208.10838	0.6
209.09306	0.6
209.11188	0.6
211.14444	13.7
217.11852	30.6
231.43326	0.3
270.14569	1.5
282.18146	17.7
285.05545	0.4
288.15558	10.2
338.19107	0.9
365.20377	0.4
366.18198	0.4
379.23447	0.7
480.26563	1.5
498.29227	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	499.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01863	2.3
57.03437	9.1
58.99592	16.7
60.28319	1.7
61.01136	3.3
64.77555	1.6
67.05510	11.5
69.03435	54.5
69.07070	26.9
69.83218	9.0
69.83574	3.3
73.01134	8.0
79.05500	15.1
83.60567	1.8
85.02911	59.8
85.06536	2.5
87.02695	3.5
87.04444	3.3
90.01430	3.5
95.01335	100.0
95.04974	17.1
96.05755	4.5
97.01109	3.3
97.02917	1.8
97.06535	46.3
99.02692	13.3
101.04248	33.3
103.03945	5.3
104.98309	2.7
107.04940	4.2
111.02671	13.3
112.03461	31.5
113.02414	3.0
113.04237	85.4
113.05986	5.9
114.05010	5.3
115.02174	4.2
123.04411	4.5
125.06001	75.4
127.02184	2.2
127.03919	8.4
129.03709	18.9
130.04489	17.3
131.05316	17.4
133.01437	8.2
136.95461	2.0
141.05476	6.2
142.99889	4.8
143.07037	8.8
145.01421	46.4
151.03854	3.4
153.05476	90.5
161.00917	6.4
163.02478	7.7
176.98619	5.7
177.99487	2.1
187.06061	4.3
194.99693	49.9
197.04518	5.0
215.05513	75.2
255.63029	2.0
284.58630	2.0
285.01038	9.2
371.94537	1.7
393.66858	1.9
409.04391	7.2
499.05646	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	497.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01880	0.7
55.05508	1.8
55.48284	0.7
56.05018	1.0
57.03440	1.1
57.82911	0.7
58.99586	4.4
60.86308	0.6
65.03935	6.1
65.53707	0.7
66.04712	0.8
67.05505	2.3
68.03153	0.7
69.03129	0.7
69.03432	7.4
69.07055	2.9
70.06593	7.1
71.51660	0.7
72.08159	3.3
72.26633	0.6
79.05487	1.6
81.07044	2.3
84.08150	4.5
85.01139	5.6
85.02908	6.7
85.06499	0.8
86.09704	4.5
87.02686	1.2
91.05492	0.9
93.07018	1.3
95.01338	11.3
95.04976	3.7
95.08605	1.6
95.35149	0.6
96.05742	1.5
97.01138	7.3
97.06541	1.8
98.01907	3.8
99.02681	12.3
100.03440	1.8
101.04234	0.8
104.05342	1.0
105.07079	0.8
107.08629	1.0
107.68410	0.7
109.02931	1.1
110.07117	0.7
111.02674	40.5
112.03456	40.6
113.00605	4.0
113.04266	4.9
113.05986	0.8
115.02168	1.5
118.06879	0.9
120.08116	2.3
125.00586	2.9
125.06009	8.2
126.01360	4.9
127.02169	8.6
127.03863	1.6
128.02930	40.0
129.03711	2.6
129.10258	2.6
130.99849	12.8
133.01459	1.2
141.99074	2.9
142.99854	10.2
144.00615	1.7
145.01401	1.0
153.05518	5.4
158.99333	11.5
159.13118	0.7
160.00154	1.3
161.00873	2.4
162.97070	0.9
163.11223	0.8
167.10570	0.8
174.97066	11.3
175.97839	12.0
176.98630	17.2
177.00154	1.2
182.15331	0.8
192.98123	100.0
193.98769	1.9
198.71808	0.6
210.14864	0.8
215.05501	3.9
221.73686	0.6
240.49039	0.9
282.99521	21.9
284.00089	0.7
285.25720	0.7
317.20773	0.9
382.23203	0.9
391.03064	1.2
407.02863	2.7
446.17853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.8
56.05048	3.4
57.05814	0.8
59.14203	0.7
60.04530	0.9
62.56334	0.6
69.37725	0.6
70.06601	100.0
71.13247	0.8
71.13595	1.1
71.27172	0.7
72.08165	61.3
74.06075	3.3
80.74145	0.6
83.06116	38.1
84.04510	13.4
84.08155	3.6
85.02947	0.7
86.09713	10.0
98.06081	1.1
101.07156	1.9
102.05589	1.0
110.07174	5.7
116.07108	26.7
119.04960	0.7
120.08118	1.3
121.33715	0.6
127.08703	4.4
129.10257	69.3
136.07617	3.3
137.05988	1.3
141.10352	1.1
155.08173	13.1
156.07793	1.6
157.09827	1.2
163.08713	1.3
164.11856	0.8
180.11348	24.8
180.76292	0.7
181.09741	21.4
183.14975	7.2
185.16542	2.0
191.08141	3.3
198.12477	0.8
207.10126	1.6
208.10840	37.7
209.09247	27.2
211.14430	4.2
213.15944	0.8
217.11877	8.6
220.10863	1.6
221.06018	2.4
226.12012	2.2
237.13533	2.0
247.11993	1.5
254.15111	2.0
265.13010	10.0
266.11493	2.0
282.18048	4.4
283.14087	2.4
285.05896	1.3
285.12207	1.0
288.15710	2.6
319.17758	2.2
336.20294	8.7
337.18726	37.8
338.19128	1.3
354.21359	1.0
364.19824	15.0
364.24188	0.9
365.18210	16.4
382.20920	10.4
460.95721	0.7
479.26233	35.0
480.26651	1.0
493.51782	1.0
497.27292	4.9
498.29565	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3398
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05503	0.3
56.05039	1.3
57.03433	0.6
57.07079	3.2
58.06586	1.6
59.07391	0.3
60.08168	17.3
67.05499	0.8
69.07086	0.5
70.06609	0.3
70.26447	0.4
70.26811	0.4
71.06976	0.4
71.07378	7.1
71.08633	1.9
81.07044	1.0
83.08630	0.5
85.10204	1.0
86.09711	50.1
86.19650	0.2
87.10018	0.4
95.08617	1.0
97.10192	0.3
98.98472	3.9
104.10751	100.0
105.11085	0.4
109.10199	0.3
123.11730	0.3
125.00012	29.8
143.01016	0.4
163.01585	0.8
181.02597	0.4
184.07352	93.1
185.07669	0.3
258.11115	1.1
270.41702	0.2
283.26392	0.3
313.27383	1.6
314.32578	0.2
419.25458	0.3
476.84891	0.2
478.32965	8.5
479.33411	0.3
496.34009	25.5
497.34430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25455	0.8
55.05508	1.5
57.03437	6.7
58.06604	29.3
59.07383	7.9
60.08168	10.7
61.74548	0.8
65.47626	0.8
67.05511	6.2
69.07061	1.3
70.74268	2.0
75.04473	4.3
79.05488	3.2
81.07060	5.0
84.08144	1.2
85.02912	0.9
87.04489	5.3
87.51826	0.9
91.05502	1.9
93.07025	4.1
95.08611	2.8
99.04285	0.7
103.03929	1.0
105.06995	0.8
107.08606	1.2
109.10187	0.9
131.07069	2.5
133.55458	0.9
144.10199	6.2
153.64804	0.8
154.94176	2.1
156.57097	0.8
162.11288	4.0
172.95271	2.0
228.97908	1.7
236.14951	100.0
354.80325	0.9
473.19916	6.5
478.35324	22.6
496.36392	66.9
497.36484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76019	1.5
52.14512	1.8
54.05449	1.7
55.05516	3.8
57.03434	7.2
58.06312	2.2
58.06606	40.0
59.07388	14.6
60.08177	13.6
67.05518	10.4
69.07062	4.2
69.32023	17.4
75.04495	3.7
79.05499	7.8
81.07060	8.1
82.84349	1.8
85.02941	2.5
86.09713	4.5
86.19403	1.9
87.04473	5.0
91.05466	3.0
93.07054	7.6
95.08627	5.9
104.09656	2.0
104.10718	2.2
105.07028	2.8
107.08600	3.7
113.04218	2.7
121.10150	2.4
131.07004	2.8
144.10220	7.7
150.61467	2.1
172.95157	2.1
184.07379	7.0
210.96973	2.4
236.14952	100.0
335.25922	1.9
473.19791	4.1
478.35321	27.2
496.36389	96.6
497.36874	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	496.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05035	0.6
57.03429	0.2
57.07084	1.0
58.06358	0.3
58.06623	0.4
59.07399	0.1
60.08168	5.6
67.05510	0.3
68.79560	0.1
69.63214	0.9
71.07378	2.5
71.07747	0.2
71.08629	0.5
79.20298	0.1
81.07053	0.3
83.11055	0.1
83.48854	0.1
85.10184	0.2
86.09711	29.0
95.08625	0.4
98.98468	2.6
101.87061	0.1
104.10757	2.7
125.00014	20.1
143.01065	0.3
184.07350	100.0
185.07709	0.5
191.33180	0.1
208.52103	0.1
224.22173	0.1
313.27182	0.2
429.63004	0.1
433.19168	0.2
433.26343	0.1
478.32840	0.9
496.34027	1.9
499.67206	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	496.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84307	0.4
54.14594	0.5
55.05514	2.8
56.74140	0.5
58.06335	0.8
58.06600	6.3
59.07383	1.1
60.08171	14.9
67.04257	5.3
67.05488	1.8
68.05031	1.0
69.03423	0.7
69.07061	0.7
70.06598	2.7
70.95966	1.1
71.04970	0.4
71.17532	0.4
72.08150	1.4
73.01134	1.1
79.05495	1.1
81.07054	2.0
82.05329	1.2
83.04969	0.5
83.08610	1.7
84.04543	0.9
84.08138	1.6
86.09718	2.2
91.05477	0.9
93.07029	0.9
95.04998	0.6
95.06093	0.8
97.06541	0.9
98.06067	1.1
98.09669	0.7
99.01411	3.9
100.11258	5.8
104.98365	0.7
109.08907	0.6
111.02679	5.6
111.04428	0.6
113.01696	1.0
113.04234	2.0
115.02146	0.5
115.05801	0.5
120.08104	0.7
121.10142	0.6
125.01709	14.5
126.02491	29.3
126.09131	0.8
127.03272	4.5
129.10202	0.7
133.07617	1.5
135.09157	0.5
142.99879	0.8
152.00418	0.7
157.06735	2.4
157.99692	2.2
167.06392	29.3
167.14191	1.2
168.13850	1.6
169.12236	0.6
170.01482	0.5
170.07509	2.8
173.10771	0.7
182.12834	0.7
182.15421	1.3
183.05956	0.9
184.09103	0.7
184.16989	1.3
185.09830	100.0
186.10612	3.9
194.16493	0.7
200.84720	0.5
204.07153	1.2
207.09499	4.6
210.14903	2.1
211.11458	0.6
217.07050	9.1
225.13007	2.7
226.13741	45.8
228.16017	0.6
229.08838	4.2
237.05157	6.6
253.04698	1.6
255.06200	1.5
257.02798	0.5
259.08258	0.8
260.13132	0.6
261.05994	1.1
266.16895	11.7
269.08035	0.5
273.09738	1.2
280.09473	0.5
281.04105	0.6
282.10892	1.4
295.20117	1.1
296.12488	2.2
299.14835	4.7
301.10739	3.5
311.23340	1.6
314.13556	28.1
315.14331	7.6
326.09982	1.5
329.10095	0.6
341.11676	0.6
346.10849	2.5
358.12527	1.8
359.13312	0.8
379.08783	34.7
380.08859	0.6
409.01987	0.5
423.07767	10.5
452.09933	5.7
472.39142	0.5
495.39349	3.5
496.08890	6.8
496.28824	0.5
496.39160	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10232	0.9
53.03951	3.0
55.01873	3.1
55.05301	1.2
55.05517	13.4
57.03429	4.5
59.04999	1.4
61.02923	2.5
61.47259	1.0
65.03944	2.4
65.34579	0.9
67.05505	36.3
69.03436	2.8
69.07069	19.7
70.06602	1.6
71.04980	4.3
71.12500	1.5
71.12837	2.2
73.01138	2.1
73.02910	2.5
73.06558	1.4
79.05499	21.9
81.03400	2.2
81.07061	100.0
83.04988	7.0
83.08623	8.1
85.02914	2.7
85.06541	6.4
86.09707	2.8
91.05482	29.7
93.07053	17.5
95.04949	3.8
95.08609	24.5
97.02899	3.1
97.06540	9.2
99.04443	1.4
99.08079	2.9
101.06020	1.3
104.98324	1.4
105.07031	43.5
107.04992	1.3
107.08591	13.6
109.06527	4.9
109.10161	3.0
111.02650	2.4
111.04456	1.2
111.08072	1.7
112.03403	1.8
113.04239	14.8
113.05991	1.0
115.03867	1.4
117.06980	3.0
119.08585	33.7
121.10138	24.9
123.08057	5.0
123.11712	28.7
127.03922	1.3
127.07542	3.6
128.06412	1.2
129.03717	1.4
129.07021	2.3
129.09111	1.3
130.04454	1.1
131.08591	3.0
133.10117	3.4
135.11679	2.2
137.09535	1.3
137.13274	2.2
143.08578	2.3
145.01419	2.7
145.10118	3.8
147.11696	73.8
157.10144	2.2
159.07970	1.4
159.11665	1.5
161.13168	1.5
165.12756	36.5
171.08340	1.5
173.13228	1.4
183.13853	4.4
185.13301	1.9
193.12161	1.7
196.19176	1.1
196.59760	1.0
229.14352	8.6
235.86620	1.5
267.15921	51.0
285.16949	3.9
309.72055	1.4
333.20428	17.6
333.24173	2.5
367.22717	1.6
403.24744	1.3
449.29111	2.0
459.27219	3.1
477.28455	11.7
495.24588	6.1
495.29297	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	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.4
54.11834	1.4
55.05513	16.5
56.44953	1.9
57.03428	6.0
59.40498	1.8
61.02919	5.4
67.05509	34.2
69.03416	6.6
69.07076	18.1
69.89087	8.0
71.04991	3.1
73.01149	2.2
73.02917	4.6
79.05501	36.1
81.03411	3.7
81.07063	100.0
83.04958	5.8
83.08628	11.0
85.02898	5.1
85.06532	6.0
86.09705	2.7
91.03928	2.2
91.04958	3.2
91.05484	37.0
93.07055	24.5
95.04963	6.1
95.08611	27.2
97.02886	4.4
97.06532	7.3
97.10182	2.2
99.08080	4.1
101.04235	2.2
104.98296	4.2
105.07033	44.3
107.08595	20.6
109.06506	6.0
109.10150	5.7
111.02704	2.4
112.03459	2.1
113.04247	13.9
113.06046	2.5
114.56255	1.6
115.05496	2.0
117.07016	10.3
119.08590	37.0
121.06475	2.1
121.10151	22.9
123.08087	5.9
123.11721	30.1
127.07557	2.9
129.06998	5.8
131.08560	9.7
133.10109	8.0
135.11720	2.9
141.06981	2.7
142.80579	1.8
143.08543	6.2
145.01410	2.6
145.10130	8.6
147.11693	76.3
149.13214	2.4
155.08592	4.8
157.10132	4.4
159.08057	2.1
159.11710	5.1
161.09613	2.1
161.13237	2.3
165.12761	39.8
169.10138	2.9
171.11736	2.5
173.13197	3.2
175.11195	2.9
183.11572	2.3
183.13820	4.7
185.13293	3.2
187.58057	1.7
195.11710	2.2
197.13171	2.1
207.11848	1.8
229.14369	8.1
259.20660	2.9
267.15933	44.9
285.17099	3.1
333.24249	4.7
339.23154	1.9
367.22662	2.4
375.25085	3.8
382.40344	1.8
385.23935	2.4
429.26334	3.4
441.26294	6.3
456.81564	1.9
459.27353	6.2
477.28470	12.1
495.29620	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	494.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74332	1.0
53.02968	1.2
53.03945	2.4
53.16652	1.1
55.01861	1.8
55.05513	4.7
56.05039	5.6
57.03435	2.1
60.04531	83.6
61.02927	2.3
67.05510	8.6
69.03431	11.8
69.07074	5.4
70.06598	10.5
71.05009	1.8
71.54798	2.0
72.04522	2.4
72.08150	5.2
73.02921	1.4
74.06083	4.0
79.05495	6.5
80.05011	2.8
81.03424	5.2
81.07059	9.2
82.06578	2.6
83.04988	1.6
83.08646	1.2
84.04517	3.5
84.08148	4.7
85.02422	1.9
85.02912	25.0
86.06059	2.9
86.09712	6.7
87.04485	2.5
90.05563	2.0
91.05487	4.4
93.07061	5.9
94.06575	3.5
95.04951	2.1
95.08602	9.3
97.02885	6.5
97.10211	1.4
98.06113	1.2
99.04474	2.7
102.05569	2.6
104.07114	4.1
104.98251	1.6
105.07037	2.8
107.08591	3.5
109.02889	2.4
109.10171	3.6
110.07259	1.2
113.04249	2.7
115.03921	1.1
116.07121	1.7
119.08542	1.5
120.08146	3.9
121.10170	2.6
123.11726	2.4
127.03913	3.5
129.10262	3.4
135.11731	3.2
145.02809	1.4
145.05000	2.5
149.35684	1.1
163.07552	1.6
168.25555	1.2
175.14853	1.7
177.05447	1.8
193.15985	1.6
211.02838	1.1
211.16968	5.6
224.11206	3.2
240.23308	2.8
260.23813	1.7
261.54865	1.1
278.24814	7.8
296.25769	9.9
306.62598	1.2
314.26862	21.9
323.18753	1.3
332.27960	100.0
333.28244	2.0
338.10034	1.2
354.96249	1.4
374.29150	4.4
458.31357	1.9
476.32162	3.8
494.33307	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12855	0.4
53.03941	1.0
55.01865	0.7
55.05511	3.7
56.05035	2.8
57.03439	3.4
57.07055	1.2
60.04530	18.0
61.01119	0.6
61.02931	3.4
65.03880	0.8
67.05503	5.4
68.04987	1.6
69.03430	12.5
69.07076	5.2
70.06599	5.4
71.04966	1.8
71.54839	0.7
72.04476	2.1
72.08128	1.3
73.01118	0.5
73.02918	2.5
74.06042	1.4
79.05453	2.3
80.05025	6.0
80.64716	0.5
81.03414	4.2
81.07062	5.3
82.06593	3.5
83.04939	0.6
84.04459	1.4
84.08142	5.0
85.02908	20.9
86.06065	0.8
86.09705	7.1
87.04483	3.2
88.03939	0.7
90.05506	1.6
91.03938	1.2
91.05449	1.3
93.07056	2.8
94.06567	6.2
95.04972	0.8
95.08614	5.2
96.04445	0.7
96.08071	1.2
97.02893	7.6
97.06506	0.7
97.10125	0.9
98.06010	1.5
98.97526	0.5
99.04404	1.9
101.02347	0.5
104.98280	0.8
105.07004	0.5
107.08556	1.5
108.08076	0.9
109.02882	3.6
109.10114	2.0
110.05993	0.6
110.09597	0.7
113.04168	0.5
114.05520	0.5
114.51602	0.5
115.08625	0.5
116.07070	1.1
120.08065	1.6
121.10117	1.2
123.11683	0.9
124.03892	0.5
124.07553	1.3
127.03937	4.3
129.10254	3.4
132.06516	0.7
136.07524	1.2
141.06528	0.7
142.08630	1.0
145.04947	1.2
147.11592	0.5
148.07541	0.5
152.01036	0.5
159.07683	2.7
164.07118	0.8
170.08070	1.0
187.07098	1.5
189.00974	0.5
201.12401	0.9
218.57013	0.5
222.22142	1.6
228.23227	1.6
240.23232	10.0
242.24731	0.5
248.23825	1.2
251.11372	0.6
252.11806	0.7
258.24292	7.8
260.19733	1.1
260.23645	0.8
266.13867	0.5
266.24786	1.6
267.14191	0.6
278.24805	11.8
294.13113	0.5
296.25848	8.6
313.14386	1.2
314.26910	16.0
317.06555	0.6
318.06802	1.1
328.13995	0.6
329.14258	0.6
332.27954	100.0
333.28360	2.2
341.14194	0.6
356.28162	0.9
370.14935	0.6
371.15414	1.2
373.16885	1.1
374.29041	1.5
458.31381	1.0
476.32217	1.7
494.33255	94.8
495.33682	2.2
502.32352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53951	4.4
77.63677	2.0
88.03999	100.0
98.97593	3.0
106.03274	2.6
122.51181	2.0
152.03781	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
56.05040	0.5
58.06604	0.9
60.08173	5.3
67.05505	1.0
68.47040	0.4
69.03461	0.4
69.07065	0.9
70.06583	1.5
71.07376	2.8
77.93494	0.4
81.07048	0.5
83.08617	0.4
86.09711	29.3
88.07633	0.7
93.07023	0.5
98.98470	2.4
102.09167	0.6
104.10741	2.8
113.04235	1.2
125.00014	18.8
149.02335	2.1
184.07356	100.0
193.04979	1.9
229.52605	0.4
237.07542	2.5
284.29587	2.1
300.55817	0.5
311.25784	0.5
332.32101	0.4
382.83759	0.4
476.31473	1.0
482.60443	0.5
494.34824	5.6
510.63113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
51.22979	0.7
55.05513	1.9
56.05028	1.8
57.07080	1.2
58.06609	0.9
60.07872	1.2
60.08165	16.7
65.41397	0.6
67.05514	1.4
69.07066	2.4
69.50718	3.6
69.51125	1.3
70.06595	0.7
70.73492	0.6
71.07021	0.8
71.07385	6.9
71.08627	0.6
79.05518	1.0
81.07052	2.3
83.08633	1.1
86.09711	48.1
87.10055	0.6
88.07637	0.9
93.07040	0.9
95.08612	1.0
97.10163	0.7
98.98463	3.4
104.10750	100.0
109.10126	0.7
109.17136	0.6
113.04236	2.1
121.10187	0.6
125.00014	26.0
149.02319	1.8
163.01488	0.8
182.13583	0.6
184.07353	96.7
193.05011	1.4
200.20013	1.0
237.07491	1.1
258.10986	1.5
272.59619	0.6
284.29471	1.1
311.25748	1.7
463.32477	0.7
476.31534	9.0
494.32455	28.7
495.32736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25059	2.3
55.05502	7.7
57.03425	2.4
57.07079	44.7
58.06611	15.1
67.05520	14.2
69.07062	10.0
69.54977	7.2
69.55377	10.8
71.08635	37.5
79.05502	3.9
81.07069	19.9
83.08607	11.5
85.10186	16.1
86.09716	2.8
91.05492	3.0
93.07044	3.1
95.08609	31.8
97.10171	7.0
98.20779	4.9
107.08624	3.3
109.10144	13.5
113.04244	5.5
123.11710	10.1
131.60130	3.0
137.13287	3.3
137.94609	2.7
184.07338	4.0
224.52441	2.7
239.23654	38.3
257.24643	4.9
269.28564	2.6
313.27374	100.0
331.28378	3.0
352.31641	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	493.0979
Annotation	Isorhamnetin 3-glucuronide
Peak:m/z	Relative Intensity
54.17838	0.2
60.04497	0.2
67.05515	0.2
69.03387	0.3
70.06601	1.9
71.07742	0.4
72.08150	0.6
81.03419	0.3
81.07067	0.3
84.04494	0.3
84.08148	0.5
85.02895	0.9
86.09703	1.9
91.05502	0.2
92.02628	1.1
93.03412	1.0
93.07024	0.3
97.77631	0.2
98.21472	0.2
102.05518	0.2
109.02902	0.3
109.10191	0.3
111.00824	0.2
111.38522	0.2
114.07457	0.2
117.03449	0.2
120.08134	1.6
121.02888	1.0
122.06022	0.4
126.03117	0.6
129.10271	0.3
130.04985	0.2
133.10207	0.3
136.07526	0.3
137.02362	0.3
137.06030	0.4
138.09113	0.3
139.03862	1.0
145.02870	0.4
150.03171	0.3
151.03931	0.8
153.01837	8.8
163.03967	0.3
165.01868	0.6
165.12650	0.2
166.08609	0.3
177.05501	0.6
200.04758	0.3
201.05469	0.9
203.03485	0.3
217.05037	1.1
218.05772	0.5
219.02827	0.4
228.04202	1.6
229.04982	4.1
231.02914	0.6
245.04556	1.6
246.05197	2.1
257.04416	2.7
260.03345	0.2
261.07626	0.4
273.03946	2.0
274.04727	3.7
284.03220	0.5
285.03970	4.8
302.04227	13.6
303.04706	0.3
317.06570	100.0
318.07104	1.7
493.09857	3.4
493.21548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2812
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.60577	0.3
53.03933	0.4
55.05515	3.4
56.05027	0.3
56.48066	0.2
57.05811	0.7
58.67982	0.2
70.06621	0.3
71.11845	0.6
72.08160	46.7
75.67731	0.2
91.05481	0.5
93.07050	0.8
95.04993	0.3
97.06508	0.3
99.64246	0.3
103.05482	2.6
104.10744	0.4
105.07043	0.6
113.04224	0.9
120.08112	100.0
121.08461	0.5
126.12841	0.3
135.94659	0.3
171.14944	7.4
174.12784	3.1
184.07324	0.3
199.14436	6.8
219.14937	16.6
222.12834	0.8
247.14442	20.7
253.90451	0.3
267.14932	8.3
269.39072	0.3
273.19656	0.8
295.14447	13.0
296.14700	0.3
301.19144	3.9
317.06781	0.4
321.19592	1.0
331.15936	0.3
346.17328	0.5
346.21259	6.5
349.19016	2.3
394.21255	4.8
445.58493	0.3
448.26004	0.5
465.28592	0.7
475.36664	0.3
506.53827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.098
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
63.65782	0.1
65.03952	0.3
68.99785	0.2
70.06595	0.3
70.68736	0.3
86.09687	0.1
88.61752	0.1
92.02627	1.1
93.03410	1.2
93.03929	0.2
95.04942	0.1
111.00775	0.2
121.02888	1.1
126.03126	0.3
139.03893	1.0
151.03889	1.0
153.01839	8.5
163.03886	0.2
165.01808	0.9
166.02657	0.2
173.05975	0.3
177.05411	0.3
183.04462	0.2
200.04758	0.3
201.05450	0.8
203.03404	0.5
217.05000	1.1
218.05716	0.6
219.02852	0.3
228.04176	1.6
229.04973	4.2
230.05519	0.2
231.02864	0.3
243.06610	0.2
245.04463	1.5
246.05251	2.0
256.03824	0.3
257.04459	2.7
258.04971	0.2
260.03143	0.4
261.07599	0.3
264.14420	0.1
271.06143	0.3
273.03934	2.3
274.04752	4.6
284.03159	0.5
285.03949	5.3
287.01935	0.3
301.03473	0.2
302.04233	14.9
303.04581	0.4
317.06570	100.0
318.06885	2.2
493.09814	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0979
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
51.09583	0.1
55.05518	0.2
56.05043	0.2
65.03942	0.2
68.99801	0.2
69.03414	0.3
69.44360	1.1
70.06598	1.8
72.08173	0.8
81.07071	0.2
84.04506	0.3
84.08144	0.9
85.02886	0.7
86.09720	1.6
92.02623	1.3
93.03411	1.3
97.02888	0.2
103.05455	0.2
109.02883	0.2
110.07183	0.3
111.00726	0.2
120.08131	1.4
121.02864	1.3
122.03621	0.2
122.06007	0.3
124.03938	0.2
126.03104	0.4
127.03925	0.2
129.10217	0.5
131.04842	0.1
133.10136	0.2
136.07564	0.2
137.02339	0.3
137.05978	0.5
139.03932	1.1
145.02867	0.3
145.06320	0.2
151.03905	0.6
153.01831	9.0
163.03874	0.2
165.01826	0.6
166.02615	0.2
177.05484	0.6
189.05478	0.2
200.04829	0.2
201.05487	1.1
203.03470	0.5
209.15344	0.2
210.15707	0.3
217.04935	1.2
218.05760	0.7
219.02948	0.2
228.04161	1.7
229.04985	4.3
229.11685	0.2
231.02887	0.6
239.03374	0.2
243.06577	0.2
245.04501	1.7
246.05254	1.9
256.03735	0.3
257.04471	3.2
260.03091	0.3
261.07584	0.3
271.06085	0.3
273.03970	2.3
274.04730	4.8
284.03171	0.6
285.03946	5.2
286.04623	0.2
301.03497	0.4
302.04221	14.4
303.04602	0.3
317.06564	100.0
318.06885	2.3
329.60461	0.1
331.16208	0.3
493.09750	3.7
493.21417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29088	0.8
55.05499	1.3
58.99591	5.3
61.01148	1.5
63.08980	0.8
67.05499	4.5
69.07078	7.2
70.06599	1.7
71.55827	1.6
73.01141	3.7
76.22937	0.8
79.05486	7.2
81.07051	1.9
83.42047	0.8
84.04499	1.0
85.01130	2.4
85.06541	1.0
86.09703	1.5
91.03398	0.8
91.05499	1.3
93.07060	1.2
95.04980	2.4
95.08598	1.3
97.01117	1.6
97.06524	6.4
98.01905	1.5
99.02687	9.6
101.04259	8.6
102.17535	0.8
102.96835	1.0
104.98340	2.2
110.93968	1.8
111.02695	10.2
112.03458	10.8
113.04238	100.0
114.05065	7.5
115.02222	1.2
116.98298	4.5
121.06528	1.5
129.03741	7.0
130.04472	2.1
130.99847	1.8
131.05299	3.4
132.35411	0.8
133.01437	2.1
135.94711	2.5
142.99860	5.0
144.00642	2.4
145.01433	21.9
153.05516	0.9
158.99384	1.1
161.00925	2.9
163.02460	5.4
176.98666	3.1
193.01802	1.8
194.99748	5.7
240.98441	0.9
243.00070	1.3
246.28853	0.9
248.68658	0.9
251.02409	1.0
315.00534	1.7
317.06607	1.9
403.00150	1.9
404.00879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0978
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
65.03931	0.2
66.36800	0.1
68.99809	0.2
70.06578	0.2
70.12386	0.3
70.12797	0.2
72.08138	0.2
73.02911	0.1
78.61312	0.1
85.02902	0.2
86.09702	0.2
92.02628	1.1
93.03415	1.1
98.06023	0.1
109.02885	0.2
110.61181	0.1
111.00836	0.2
121.02876	0.9
122.74567	0.1
126.03158	0.5
135.04419	0.2
137.02359	0.3
139.03899	0.9
140.55563	0.1
150.03133	0.1
151.03941	1.0
153.01831	9.1
163.03961	0.2
165.01794	0.8
166.02644	0.3
173.05952	0.2
177.05495	0.2
183.02939	0.2
183.04402	0.2
187.03897	0.1
198.32967	0.2
200.04733	0.4
201.05548	0.8
203.03369	0.5
217.05014	0.9
217.08246	0.1
218.05812	0.6
219.02980	0.3
228.04158	1.6
229.04968	3.7
231.02910	0.5
239.03378	0.2
243.06403	0.2
245.04448	1.6
245.07228	0.2
246.05234	2.1
256.03738	0.3
257.04474	2.6
260.03177	0.4
261.07501	0.4
271.05905	0.2
273.03906	2.0
273.06644	0.2
274.04721	4.6
284.03134	0.5
285.03934	4.7
287.01807	0.2
288.06259	0.2
302.04214	13.9
303.04556	0.3
317.06555	100.0
318.06934	2.2
419.93915	0.1
454.77798	0.1
493.09784	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.05262	0.9
55.05514	11.9
56.05025	0.9
57.03221	0.7
57.03443	7.0
57.07068	2.7
58.06603	23.8
63.76656	0.8
67.05508	25.3
69.03402	0.8
69.06719	1.3
69.07072	16.9
71.04969	1.1
71.55540	1.3
73.75454	0.8
79.05495	7.8
81.07059	28.0
83.08627	6.5
85.06535	1.4
88.07644	1.0
91.05472	4.7
93.07054	6.7
95.04952	0.9
95.08612	20.1
95.09226	1.0
97.06513	2.1
97.10169	2.9
99.08097	0.9
105.07021	3.3
107.08623	3.9
109.10170	7.8
111.08076	0.8
111.11684	0.8
113.04253	1.1
119.08556	3.5
121.01115	0.9
121.10137	2.1
123.11714	2.8
133.10120	3.2
135.11687	2.3
137.13222	1.1
147.11697	1.7
149.02351	1.1
152.58134	0.9
156.04231	3.7
161.13324	1.1
164.62164	0.7
169.62981	0.8
176.82222	0.8
219.06464	1.1
245.22432	0.7
256.26416	1.2
263.23776	1.0
306.95071	0.8
337.27380	100.0
338.27722	2.4
492.33365	2.2
516.19910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
58.99584	4.8
61.01134	1.8
65.03912	1.3
67.05500	5.0
69.07084	8.6
69.82133	7.0
70.06580	2.4
71.77921	1.3
73.01157	1.4
79.05506	9.0
81.07047	4.8
85.01125	1.6
85.02908	1.4
91.05463	2.1
93.07048	2.0
95.04955	2.7
95.08620	2.3
97.01126	3.1
97.06521	4.7
98.01884	1.3
99.02692	8.6
101.04237	7.3
104.98277	1.7
105.07045	2.2
107.08612	1.7
109.10188	1.4
111.02673	9.4
112.03456	11.5
113.04240	100.0
114.05044	6.6
115.02155	1.9
116.98323	3.1
119.08595	1.7
119.22195	1.2
121.06513	1.6
121.10184	1.3
129.03712	5.7
130.04515	2.8
130.99832	2.3
131.05254	2.2
133.10109	1.4
135.94766	1.8
142.99890	7.8
144.00598	4.4
145.01436	22.0
158.99307	3.6
161.00882	2.7
163.02480	4.3
174.97076	1.4
176.98595	1.3
177.05478	1.8
193.01767	1.5
194.99632	2.2
195.64453	1.2
242.99959	2.4
305.01563	2.6
317.06702	2.4
384.51141	1.3
403.00061	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	492.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.3
55.07840	2.6
57.03434	10.6
57.07086	2.6
57.09684	2.2
57.97234	2.3
63.50771	2.2
65.03926	2.6
66.49335	2.1
67.05508	43.3
69.03406	2.7
69.07076	18.7
71.55129	3.7
79.05498	27.8
80.05042	3.8
81.07066	57.7
82.06573	3.9
83.04993	7.0
83.08617	9.9
84.08142	3.2
85.06535	3.0
91.05492	19.5
93.07056	34.8
95.04973	4.5
95.08594	18.3
97.06528	8.6
99.08140	2.8
105.07040	7.3
107.08607	22.9
109.06602	3.2
111.08113	3.9
113.04194	2.9
117.07021	5.5
119.08510	2.8
121.10154	9.9
123.11710	3.3
126.12821	9.2
129.03572	2.8
131.08563	4.6
133.10150	6.3
135.11688	6.9
135.94832	2.4
139.11180	6.3
145.02832	4.5
147.11667	3.2
149.13261	12.3
159.11699	8.8
175.39316	2.9
177.05553	6.0
177.12799	7.1
195.13860	11.7
213.14832	2.8
220.16975	7.3
224.10475	13.6
238.18040	6.0
269.17499	100.0
270.17740	2.9
304.09085	3.2
315.40219	3.0
327.92245	2.8
336.15671	3.5
351.25378	16.7
373.54190	2.5
374.17383	13.1
374.86115	2.5
392.18347	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	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
55.01872	3.8
55.05508	12.9
56.05035	3.5
57.03442	4.0
60.04522	3.1
61.02935	2.8
65.51556	2.4
67.05499	8.1
68.51093	2.5
69.03429	18.2
69.07059	7.6
70.06596	21.0
70.62004	2.7
70.62351	5.6
71.04989	4.4
72.08154	11.0
73.02913	2.8
79.05496	10.5
81.03423	11.3
81.07062	25.5
83.04972	12.7
83.08620	8.5
84.04517	4.4
84.08166	7.1
85.02907	26.3
85.06551	3.0
86.09708	31.6
87.00833	9.6
91.05489	10.1
93.07068	14.0
95.04989	17.9
95.08613	11.7
97.02892	15.4
97.06550	11.8
97.10056	2.6
99.04461	7.4
105.01867	12.0
105.07022	19.1
107.08603	19.0
109.02862	8.2
109.06534	35.3
109.10171	25.3
110.07175	3.9
111.08087	4.0
117.07037	3.2
119.08586	16.9
120.08102	16.5
121.06517	5.8
121.10149	23.0
123.08078	6.2
123.11732	6.8
125.09622	6.8
127.03928	19.1
129.10310	3.7
131.08578	10.6
133.10144	50.3
135.08061	7.0
137.05978	3.3
139.11197	4.1
145.04965	7.5
145.10124	6.6
147.11726	14.2
149.13264	14.0
151.11238	14.1
151.92331	2.4
153.09111	14.5
155.08197	3.5
157.13435	2.7
158.10971	4.5
159.02902	5.9
163.14864	6.9
165.12752	6.3
167.14319	13.0
173.13319	22.4
175.14847	34.9
177.05540	2.6
185.16513	3.3
191.14343	33.7
193.15874	7.2
201.05460	10.1
209.15381	100.0
219.15012	2.8
227.16437	26.3
250.13351	3.4
302.04214	3.4
317.06638	23.8
327.36475	2.7
355.11731	5.3
439.18973	3.1
492.19928	6.1
492.23032	3.1
492.30499	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95501	1.2
56.05018	1.4
60.04525	2.6
67.05511	13.5
70.06580	5.6
70.99599	3.1
72.08157	2.6
74.16908	1.3
79.05507	2.8
80.05002	1.6
84.08153	2.1
85.02911	2.1
86.09724	5.2
91.05495	5.5
93.07030	6.0
94.06574	20.9
95.07346	5.6
95.08611	2.2
96.08138	13.7
97.06503	1.7
106.06594	1.9
106.19895	1.3
108.08121	13.7
110.07173	1.9
110.09677	24.4
111.60132	1.2
120.04508	2.2
120.08105	19.3
122.06025	33.0
124.07611	3.3
134.06023	6.2
136.07574	13.6
138.09140	26.8
144.04422	1.6
144.08116	1.8
146.05969	3.0
148.07574	5.8
150.09131	2.0
152.07088	5.5
160.03947	2.6
164.07047	8.7
166.08652	36.9
168.10223	2.9
172.03935	3.4
177.05440	1.6
178.04996	1.6
182.09619	1.4
190.05023	4.8
197.10771	2.2
206.08226	1.4
208.09889	1.9
209.10670	2.5
210.09132	1.6
210.11386	2.2
211.08684	3.9
211.12341	1.5
212.12782	1.6
213.10263	2.4
219.09293	1.4
220.09973	1.8
221.10777	3.1
222.09433	2.4
222.11560	5.4
223.08672	16.2
223.12115	6.2
224.13025	2.6
225.10252	35.0
225.13814	2.5
226.11047	5.5
227.11806	3.2
234.11316	1.8
235.08655	7.8
235.12361	3.6
236.09377	6.4
236.12952	1.6
237.10263	18.4
237.13866	7.3
238.10982	15.0
239.08121	8.2
239.11832	18.2
239.15526	1.8
240.12560	3.7
241.09731	1.8
247.08849	1.9
247.12431	2.6
248.09105	6.8
249.10181	17.4
250.11015	20.9
251.08121	11.5
251.11812	54.2
251.14433	2.7
252.08847	3.6
252.12610	7.1
253.09691	13.7
253.13383	8.6
254.10521	12.7
255.11359	2.2
255.14688	1.9
262.11151	2.6
263.11829	32.5
264.09113	2.6
264.12601	11.9
265.09848	8.7
265.13367	60.6
266.10516	9.9
266.14044	7.8
267.11380	7.7
267.14618	6.7
268.12042	1.9
269.13022	1.6
275.11731	3.3
276.12610	2.2
277.09741	2.8
277.13248	2.5
278.10532	6.1
279.11264	25.7
280.11688	2.8
281.12863	11.8
283.10822	16.8
283.14420	5.6
284.11252	1.9
285.12378	7.9
291.11389	6.1
293.09604	2.3
293.12811	19.2
294.13605	3.4
295.10913	3.9
295.14407	6.5
296.11526	10.1
297.12350	11.3
298.13098	3.7
299.13977	5.6
309.12354	47.1
310.12997	6.3
311.13901	68.5
312.25198	2.3
319.10785	2.8
321.12411	7.0
325.11856	8.0
327.13403	83.0
330.26364	4.1
337.11856	16.9
338.12601	8.8
339.13370	26.9
351.13394	1.8
356.13785	2.5
357.14505	3.2
369.14462	94.4
370.15158	15.3
371.16019	100.0
372.17023	2.4
386.18689	5.8
414.18076	4.0
416.14151	2.7
416.19687	41.4
419.18347	2.4
432.19186	28.2
433.36737	1.6
442.17618	8.1
446.20609	3.3
460.18719	61.4
461.19101	1.5
464.21747	2.7
474.20444	9.3
492.21268	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	4.4
59.07361	0.9
60.08170	32.1
69.03428	3.6
69.52200	0.9
70.06558	0.9
71.54047	1.2
72.08150	0.9
72.81891	0.7
73.08939	1.3
82.06582	0.7
84.08133	1.3
85.02921	3.5
85.49299	0.7
86.00669	1.3
86.09731	0.7
87.06854	1.0
88.03979	1.2
94.03394	0.7
95.01334	6.0
100.07636	6.7
100.88557	0.9
102.09200	6.8
103.06333	1.6
109.07649	2.3
113.01727	20.5
113.02419	0.7
114.02524	1.7
118.08665	27.8
118.09515	1.4
120.08104	6.8
125.06001	3.8
126.03767	0.7
129.10249	0.9
132.98915	0.7
137.01747	1.3
137.14577	0.6
141.01170	10.6
142.01985	12.1
144.98869	4.0
151.03307	1.1
153.05472	2.3
155.98170	1.3
158.00945	3.6
160.98434	1.4
166.08681	3.3
166.09976	0.7
167.05139	3.2
168.05931	18.7
173.99188	8.8
174.99973	44.4
183.08301	1.6
200.03163	3.9
200.08517	0.9
201.03928	7.5
201.09315	5.4
215.05466	12.3
216.06299	1.3
220.00885	0.7
233.06526	41.6
234.07315	7.0
234.29938	0.8
244.18771	0.8
317.06488	1.2
389.04791	2.6
415.08691	7.1
430.11069	38.4
431.11426	1.1
448.12115	100.0
449.12485	2.7
464.55063	0.8
492.11169	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	492.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.1
55.05511	2.1
56.05038	3.2
57.02173	2.6
58.06602	16.6
58.99584	6.9
61.01162	2.9
65.03939	2.2
67.05499	8.2
70.06597	7.9
72.04490	1.5
72.08158	1.6
73.01157	9.7
73.02007	1.5
73.05298	5.8
74.00667	5.6
74.02456	3.6
75.01468	2.9
76.02245	12.9
76.04021	10.0
82.06570	2.7
83.06130	2.0
84.04511	85.8
85.02917	3.1
86.09713	3.1
89.04269	23.6
89.04784	2.2
95.08601	2.3
96.08125	3.4
98.06063	41.6
99.02691	34.9
99.05579	7.2
100.02203	2.1
100.03461	5.0
100.04026	2.8
100.07617	9.6
101.04258	4.5
101.04833	2.4
102.05559	2.4
103.06375	2.6
104.98331	3.6
106.98634	5.3
110.93961	3.2
111.03209	2.0
112.03990	18.7
113.04240	3.1
116.01679	11.0
116.05329	71.0
116.07084	20.5
118.06855	9.1
120.08115	1.7
122.06036	2.0
124.07641	4.3
126.05531	54.1
127.05079	2.7
127.08681	2.4
128.02928	11.0
128.05840	3.9
129.04228	6.7
130.03320	3.8
130.05016	51.4
138.09174	2.0
141.06599	2.9
142.03220	3.0
142.08644	3.0
145.06114	10.6
146.06898	15.5
147.07675	9.8
153.06552	2.3
155.08209	3.3
156.06543	16.6
158.02760	2.8
160.00713	2.1
162.02202	6.9
170.08122	11.2
171.07625	2.7
173.09235	63.8
174.09933	1.6
177.03313	5.6
179.04881	5.0
182.06737	7.0
197.63493	1.7
199.07169	6.7
200.07890	3.1
201.08736	36.7
202.05359	42.0
206.09010	5.8
210.01282	5.1
212.07959	2.7
219.07997	100.0
220.08536	1.9
225.10194	2.5
232.05168	2.3
239.65907	1.9
243.04324	1.9
247.11110	13.3
251.11926	3.9
257.10135	5.3
258.08450	1.8
264.02322	2.3
265.13412	3.8
273.09076	4.4
274.10391	15.7
275.11133	54.0
284.03180	28.5
290.09824	2.8
306.07492	7.3
307.10477	14.6
311.13962	2.7
327.13516	2.3
330.11044	1.9
338.04214	6.0
339.05576	15.4
339.13391	2.2
348.12262	52.8
349.12924	16.2
369.14462	6.1
371.16116	4.4
381.12048	2.4
413.07474	68.6
416.19803	2.5
460.18396	2.5
476.15619	1.9
492.20993	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	491.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.2
53.03942	2.8
55.01856	2.4
55.05502	6.8
56.05032	5.6
56.32250	2.3
57.03428	3.0
57.36574	2.1
60.04514	2.1
61.01157	4.5
61.02906	2.2
67.05489	6.2
68.99753	2.1
69.03425	9.4
69.07082	11.1
70.06598	53.4
71.01336	3.4
71.01692	5.0
71.04979	4.2
72.08163	28.6
78.34859	2.2
79.05477	7.5
81.03397	7.1
81.07049	10.2
83.04997	10.5
83.05408	2.2
84.04504	10.3
84.08167	12.4
85.02905	19.7
86.09718	45.2
87.00832	7.9
87.10044	3.4
91.05490	6.1
93.07030	9.9
95.04972	3.3
95.08587	11.4
97.02885	7.1
97.06547	12.8
99.04433	6.4
99.08124	3.2
101.04130	2.4
102.05550	4.9
104.05328	7.6
105.01879	4.1
105.07053	12.3
107.08614	12.4
109.02866	7.1
109.06513	5.7
109.10176	16.3
110.07170	6.7
110.09745	2.4
111.04423	5.2
111.08099	7.5
116.07108	5.3
119.08611	18.4
120.08133	14.6
121.06475	2.4
121.10157	53.5
122.06094	2.6
123.08070	39.3
125.05997	3.5
125.09616	2.7
127.03925	13.1
129.09239	5.2
129.10252	8.9
133.10106	9.5
135.11696	8.6
136.07588	6.6
137.05960	3.8
137.09613	9.8
139.11073	2.9
139.88434	2.4
143.11856	2.5
145.10141	7.3
147.11652	10.2
149.09624	11.3
151.07510	6.0
151.11180	2.6
155.11806	4.1
156.07707	2.9
161.13275	38.9
163.11200	20.8
165.12790	5.3
169.12227	14.3
171.11662	4.0
179.14333	9.8
181.12245	18.7
183.14963	2.4
189.12766	23.8
203.12184	6.9
207.13802	21.6
208.14154	3.2
225.14854	33.0
231.04955	3.1
231.11673	2.9
243.13539	6.5
243.15913	100.0
259.76636	2.2
263.13907	3.5
491.19345	3.4
491.31589	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	491.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01875	2.6
55.05521	5.1
56.05019	2.4
57.03455	4.5
57.07072	2.1
60.04519	2.2
67.05501	5.5
69.03427	7.2
69.07061	7.5
70.06593	22.7
70.80927	6.0
71.04992	4.6
72.08165	12.1
79.05511	5.6
81.03424	8.0
81.07053	13.0
83.04987	10.9
84.04507	9.8
84.08138	9.3
85.02910	17.4
86.09714	19.9
87.00833	5.7
88.04054	2.5
91.05489	4.6
93.07043	9.4
95.08604	11.0
97.02895	6.6
97.06522	15.0
99.02685	3.8
99.04442	2.3
102.05489	2.2
104.05292	2.3
105.01888	3.8
105.07028	9.1
107.08601	10.5
109.02905	5.2
109.06512	4.1
109.10175	13.5
111.04478	3.7
111.08081	5.0
115.07626	3.0
119.08585	15.4
120.08104	7.8
121.10151	54.3
123.08066	38.0
123.11679	3.4
125.06026	2.8
125.09634	3.1
127.03927	9.3
129.09126	3.0
129.10213	3.5
133.10120	7.8
135.11676	4.8
137.09624	8.5
137.13240	2.3
145.10156	5.5
147.11661	9.0
149.09622	11.5
151.07553	3.9
151.11177	4.4
155.11763	1.9
161.13260	37.7
163.11205	28.6
165.12830	6.0
169.12250	12.1
170.08098	3.3
171.11624	2.9
179.04669	2.4
179.14322	8.6
181.12253	19.7
188.80971	1.9
189.12755	19.3
191.14328	2.4
207.13791	19.1
219.08165	2.7
225.14867	27.9
231.09689	2.5
243.13579	3.4
243.15912	100.0
244.16263	3.6
252.50148	1.9
265.16763	2.1
280.16296	2.2
491.31992	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	490.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31886	0.7
53.81946	0.9
55.01870	2.9
55.05517	6.3
56.05038	5.1
58.06588	2.4
58.99571	0.8
60.04530	15.3
61.01155	3.8
68.05022	2.7
69.07074	3.7
69.78337	2.3
69.78750	1.3
70.02967	3.3
70.06598	17.7
72.04549	0.6
72.08163	65.8
72.37297	0.6
72.95837	0.7
73.01141	1.6
73.08456	1.0
74.00283	0.9
74.00673	13.6
74.06075	2.9
76.02240	1.0
76.03994	2.4
81.07079	1.3
81.28680	0.6
82.06570	1.0
83.06097	1.9
84.04513	41.5
84.08154	9.2
85.02913	2.7
85.04033	6.7
85.04839	0.8
86.06075	1.2
86.09715	63.0
87.05598	14.4
87.10043	3.4
88.02222	3.1
88.03999	6.7
89.04271	1.0
91.05434	0.7
92.01701	2.2
92.98340	1.0
93.07876	0.7
94.06585	0.9
96.07549	1.3
96.08138	14.5
96.88505	0.6
97.06506	0.7
98.21474	1.1
98.26880	0.6
100.04025	0.8
100.07628	0.9
101.07155	4.8
102.05545	1.8
104.05292	0.6
104.98330	9.4
105.97789	0.7
107.99400	6.6
110.02392	0.8
110.06039	1.2
110.07160	1.0
112.03983	4.1
112.07581	0.9
112.35542	0.6
113.03506	1.9
114.05563	1.1
114.09178	21.5
116.07098	3.3
120.08114	5.1
124.07618	8.2
126.09125	1.3
127.04058	1.1
127.05049	18.0
127.08687	1.0
129.06613	1.1
129.10255	3.0
130.05016	22.6
131.04526	4.5
132.10220	37.6
133.06078	1.5
136.07628	1.6
141.06635	0.7
141.10216	3.3
142.08621	5.4
145.06097	4.8
148.02516	6.1
153.06580	0.7
156.06570	1.8
156.10231	0.7
157.09776	1.7
159.11307	100.0
160.00668	1.1
160.11694	0.8
162.02277	0.6
166.08701	1.7
167.08182	0.9
170.08142	32.1
173.05595	12.3
173.09341	0.9
173.12932	1.2
174.00455	1.2
175.96831	0.6
177.03308	15.4
179.04889	0.8
181.06094	2.0
183.11317	2.4
185.03828	1.2
187.10791	38.2
188.02029	2.5
191.04944	1.5
201.12358	6.5
201.99907	1.1
202.12628	1.4
211.02074	10.2
212.09268	1.0
213.12367	3.2
215.13943	1.4
229.11906	2.4
229.15593	1.0
230.11429	4.8
231.04396	1.2
231.11766	0.8
234.02557	1.7
240.13503	2.6
243.04308	0.8
244.12941	6.3
247.12878	7.1
251.05208	16.8
255.17172	0.8
258.14505	1.2
261.14539	1.2
262.14816	1.7
272.12497	2.2
272.15863	0.7
286.14108	3.9
286.16925	0.6
288.06522	1.0
304.15097	12.3
305.06384	4.6
306.07474	0.8
314.13464	0.8
315.16797	0.7
318.07776	1.1
323.03525	0.8
341.14743	1.1
348.32599	0.6
359.15698	9.6
380.09473	13.9
403.22058	1.2
413.20181	1.5
444.24811	1.3
454.23071	0.7
472.24014	2.7
490.24973	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	490.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.8
55.05498	3.4
56.05033	7.7
57.03434	1.9
58.06606	11.7
58.99584	9.9
60.04512	5.9
61.01142	6.2
62.17137	1.4
64.65949	1.5
65.03897	1.9
67.05496	4.2
68.05019	7.1
69.03407	4.1
69.07063	4.2
69.65915	8.2
70.02974	1.8
70.06597	39.6
71.04962	1.7
71.06892	2.3
72.08160	17.2
73.01148	13.4
74.00671	12.4
74.02441	3.5
74.06069	3.4
76.02237	18.2
76.03990	5.3
81.07052	1.5
82.06571	4.6
83.06108	3.9
84.04510	100.0
84.08154	23.7
85.02899	7.0
85.04031	2.9
86.00638	1.6
86.09710	60.3
86.10233	3.4
86.80682	1.5
86.99030	1.8
87.05560	1.9
87.10022	4.3
88.02217	6.7
88.03960	3.9
91.05496	2.7
92.01687	1.5
95.01316	2.9
96.04490	2.1
96.08125	18.7
97.02870	1.8
97.57250	1.5
98.06055	3.3
99.02680	42.6
101.04255	2.2
102.05549	3.6
104.05317	1.6
104.98324	7.7
107.99406	3.5
110.06078	1.9
110.07174	5.2
112.03965	22.8
112.08743	2.0
113.03503	2.0
114.03763	6.9
114.05496	7.8
116.01690	14.2
116.05322	58.0
116.07090	23.2
119.99392	2.2
120.08129	12.8
120.19128	1.7
124.07592	21.9
125.05997	3.1
126.03735	3.3
126.09176	3.3
129.06612	4.3
129.10249	16.9
130.05022	23.9
130.06503	2.3
130.99895	2.0
131.04543	5.7
132.08086	2.1
132.10199	2.6
136.07574	4.4
142.03221	5.7
142.04979	3.1
142.08632	15.5
143.11784	2.5
144.01100	4.0
144.04803	2.5
145.03201	1.5
145.06073	2.3
148.02525	8.9
153.05460	3.6
156.04803	1.7
159.09180	5.8
159.11264	1.8
160.00635	5.5
161.09256	1.8
162.02194	8.6
167.11803	1.6
170.02771	2.4
170.08141	81.2
171.07658	2.7
176.01979	6.4
177.03339	15.9
179.04858	15.9
181.06036	1.6
182.06351	3.0
184.04312	2.3
189.12434	2.7
191.04861	4.3
197.12695	1.4
201.12425	1.9
202.05350	44.9
207.13922	1.9
211.02040	5.2
213.12360	3.5
217.06500	12.0
217.08340	2.7
218.45393	1.5
219.08000	77.0
221.00542	4.9
228.13422	1.7
231.04195	1.8
231.08035	3.6
234.02550	1.5
245.05765	3.0
245.09692	3.2
251.05171	14.2
273.09131	10.2
284.16064	4.0
295.61710	1.9
302.20654	2.3
305.06213	4.6
310.14471	1.8
328.15747	7.3
328.24823	2.1
330.11221	2.2
348.12241	40.4
360.12573	1.8
360.52939	1.6
380.09503	10.4
385.11652	1.7
490.29941	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
55.05511	21.4
57.03431	5.4
59.05026	1.9
65.03943	1.8
67.05509	100.0
69.07093	11.3
69.70602	2.1
71.04994	3.8
71.55722	3.4
75.72742	2.0
77.03956	2.0
79.05502	35.2
81.07064	46.3
83.04991	3.6
83.08646	9.3
85.06570	2.6
91.05490	29.5
93.07049	39.6
95.04958	4.8
95.08616	30.5
97.06540	4.6
97.10184	4.9
99.08127	2.0
102.83004	1.9
105.07044	22.7
107.08595	24.5
109.10164	54.0
111.08083	5.0
117.07043	9.2
119.08590	31.2
121.10153	20.8
123.08111	2.9
123.11748	3.5
124.10444	1.7
125.09641	1.9
129.07089	2.7
131.08578	17.0
133.10135	16.6
135.11656	10.7
137.09595	3.9
137.13181	2.2
143.08601	7.3
145.10164	17.5
147.11697	13.6
149.09630	2.5
149.13257	5.0
157.10162	5.0
159.11687	12.8
161.13277	10.2
169.10176	3.0
171.11751	5.3
173.11777	15.6
173.13312	7.9
175.14867	3.7
183.11725	2.6
185.13281	4.7
187.14928	2.9
189.12767	2.2
197.13275	2.9
199.14787	2.6
218.09398	1.9
259.20773	2.1
261.22205	5.6
299.23651	3.4
379.29898	6.2
397.30991	14.1
415.32098	3.8
433.33148	2.6
471.34708	8.6
489.35791	95.2
490.35913	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03946	3.8
55.01882	2.1
55.05521	17.4
56.31729	2.0
57.03425	4.2
57.07088	3.3
64.95186	1.9
65.03926	2.5
65.84652	2.2
67.05511	74.8
69.07069	15.3
69.99751	7.6
71.05003	2.1
79.05493	33.0
81.07064	39.7
83.08624	9.1
85.06585	2.2
91.05482	26.2
91.06007	2.8
93.07049	30.5
95.04994	2.8
95.08611	25.9
97.06541	1.9
97.10159	4.8
100.09734	1.8
103.28886	2.1
105.07032	23.8
107.08601	27.8
109.10159	43.6
111.08089	4.0
117.07058	8.5
119.08584	28.2
121.10141	18.4
123.08105	2.1
123.11674	3.9
125.09647	3.5
129.07016	5.3
131.08572	17.6
133.10158	17.5
135.11684	10.8
137.09610	2.4
139.11183	2.5
143.08560	5.5
145.10147	21.2
147.11694	15.5
149.13275	4.0
155.08595	2.4
155.10672	2.6
157.10158	6.8
159.11705	13.9
161.09668	2.5
161.13359	9.5
163.14903	3.4
169.10150	4.4
171.11734	7.1
173.11760	9.6
173.13287	11.0
176.94894	1.9
177.16478	2.0
185.13303	6.9
187.14851	3.3
193.12387	1.9
197.13246	5.1
199.14951	2.3
211.14944	2.2
213.16547	3.7
241.19702	2.1
243.21307	1.9
261.22205	4.7
273.22226	2.1
299.23993	3.1
379.29990	11.8
397.31012	16.8
415.32260	3.9
471.34872	12.9
484.72028	2.1
489.35825	100.0
490.36118	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	489.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01849	1.5
55.05301	1.3
55.05521	13.0
57.03441	16.4
57.07067	2.7
65.03935	1.8
67.05508	53.0
67.34321	1.2
69.07077	12.8
69.44123	5.5
69.44547	4.9
71.04985	2.0
79.05499	40.2
81.06577	3.0
81.07062	59.6
83.08618	6.8
85.06570	1.9
91.05486	22.3
93.07053	52.2
95.04974	4.4
95.08611	48.1
96.05598	1.3
97.06525	2.5
97.10157	3.0
98.20782	2.6
98.98474	84.4
99.08104	1.5
105.07046	17.9
107.08604	34.0
109.06487	1.7
109.10163	21.4
111.08046	1.5
117.07013	7.1
119.08595	15.4
121.10152	22.8
123.11741	8.2
131.08569	18.3
133.10136	15.8
135.11705	18.6
136.99992	7.3
137.13235	3.0
145.10150	13.3
147.11708	11.1
149.13258	13.6
151.14810	1.7
155.01051	72.1
159.11699	9.3
161.13257	8.5
163.14850	6.4
173.13272	9.3
175.14845	4.1
177.16431	1.9
187.14825	4.6
189.16451	1.7
201.16341	1.7
205.15891	1.6
211.03720	4.9
229.04726	7.1
243.21088	17.6
261.22156	36.7
276.79260	1.4
291.23260	2.1
299.23666	3.1
317.24796	19.4
335.25827	100.0
336.26337	3.6
415.22327	5.0
471.25000	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	489.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
53.24861	3.3
53.29500	3.9
55.01872	7.0
55.05516	24.7
57.03440	6.8
58.99577	9.0
63.54135	3.2
67.05504	43.8
69.03429	24.6
69.07063	26.2
69.77647	23.0
71.04985	11.0
71.08628	5.3
79.05494	38.3
81.03422	14.0
81.07051	39.2
83.04968	9.9
83.08657	7.3
85.02914	35.3
85.06539	4.3
87.00830	12.5
87.04471	9.9
91.05481	15.5
93.07054	62.2
95.01351	20.2
95.04943	6.8
95.08616	43.6
97.02924	18.8
97.06541	17.8
97.10175	5.5
97.42016	3.7
99.04446	10.8
99.38847	3.7
101.04246	14.0
101.06026	4.8
105.01881	7.9
105.07019	7.7
107.08609	35.6
109.02882	16.5
109.06493	5.0
109.10149	22.0
111.02637	8.4
111.04447	12.4
111.08056	6.2
112.03458	16.4
113.04240	43.9
113.05989	9.4
115.03927	10.0
117.07031	5.8
119.08578	10.9
121.06533	4.5
121.10148	70.6
123.11726	4.7
125.06017	16.3
127.03922	27.8
129.05524	4.9
130.04448	5.1
131.05202	5.2
131.08574	15.1
133.06509	4.4
133.10124	6.2
135.08072	10.0
135.11720	18.2
137.09535	5.1
145.01411	53.2
145.10182	10.7
147.11678	3.9
149.09590	8.7
153.05490	12.8
153.09137	7.3
161.13261	5.8
163.11171	4.7
163.14813	22.1
167.10632	6.1
177.16408	68.8
181.12311	4.4
187.14832	35.5
194.99690	9.9
195.17467	7.2
205.15836	46.4
211.69067	4.6
215.05537	6.5
215.74561	3.7
223.16934	100.0
241.18073	12.5
249.08932	3.9
274.97220	17.6
354.36969	3.9
431.10184	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	489.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	1.4
57.03437	3.8
58.99591	8.8
61.01152	2.5
67.05511	6.4
69.03436	23.8
69.07076	17.9
70.06609	2.3
70.66965	1.8
70.67307	2.7
73.01136	7.1
74.09715	1.9
79.05503	10.4
81.07040	2.3
84.08165	2.7
85.02912	26.1
86.09718	1.8
87.02702	1.7
89.00662	1.2
95.01340	39.6
95.01952	2.1
95.04975	8.1
96.05716	2.2
96.97799	1.9
97.01143	4.2
97.06543	15.4
98.21372	1.6
99.02681	8.8
101.04247	19.5
103.03947	2.5
104.98328	3.7
105.07054	1.2
106.37569	1.1
107.04931	1.6
109.10191	1.1
110.93961	5.8
111.02656	11.0
111.42596	1.1
112.03457	33.2
113.04242	100.0
113.05978	3.4
114.05043	6.1
115.02123	1.8
115.05838	1.4
116.98291	2.4
123.04411	2.3
125.06010	26.6
127.03941	3.4
129.03722	14.2
130.04532	8.9
130.99915	2.2
131.05275	9.6
133.01451	3.1
136.95505	3.4
137.00902	2.3
141.05478	1.3
142.99876	4.8
143.07072	2.5
144.00652	5.3
145.01424	83.2
147.03009	4.5
153.05484	26.5
159.49301	1.3
161.00984	4.0
163.02533	2.0
165.09181	1.5
168.98137	4.0
176.98642	9.0
187.05988	1.8
194.99690	28.2
209.01161	2.6
215.05525	25.6
224.99014	6.9
226.96936	1.5
240.98460	2.0
274.97226	31.7
489.01981	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	488.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05508	0.6
56.05045	0.7
56.72384	0.6
58.06606	3.8
58.99326	0.7
58.99593	8.1
60.03275	0.4
60.35061	0.5
61.01153	20.5
65.78661	0.6
67.05491	0.9
68.86300	0.5
70.06580	2.6
70.84106	1.1
70.85522	0.5
70.99576	1.9
71.72053	0.5
72.08149	0.5
73.01144	27.4
74.00665	1.2
74.01904	0.9
74.09722	3.5
75.02711	5.0
76.02229	16.9
76.03981	1.2
78.96792	0.5
81.07072	0.7
82.94218	0.5
84.04505	18.5
84.08139	1.3
85.04043	1.0
86.09698	0.6
86.99055	1.1
88.02199	0.6
91.35764	0.6
96.08143	2.5
96.92400	1.6
99.02683	11.3
101.04241	1.1
104.98320	100.0
105.97828	1.3
106.99853	1.4
112.03964	3.8
113.04250	0.8
116.01692	6.5
116.05320	23.2
116.07112	4.5
124.07600	2.3
126.09202	0.8
129.06653	0.6
130.04987	3.8
131.04520	0.9
138.97055	7.0
142.03246	2.2
142.08621	1.3
144.01161	2.1
144.04756	0.7
147.02975	14.5
162.02199	7.8
170.02721	0.7
170.08128	16.7
179.04863	19.7
181.01759	14.0
202.05348	12.4
219.07999	36.8
231.50307	0.6
233.05913	3.1
245.05966	1.1
245.09593	1.0
256.03268	0.9
273.08997	3.3
285.03891	0.7
308.09082	4.3
348.12247	7.3
359.05795	0.7
413.07132	1.2
484.86136	0.6
488.10217	0.9
513.75250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05508	5.2
56.05046	4.1
57.03425	1.8
58.06610	2.2
64.01027	1.6
69.03438	9.3
69.07053	7.2
70.02960	3.1
70.06596	65.2
70.15095	4.1
70.15488	4.3
71.04984	3.8
71.06921	2.8
72.08160	22.3
74.06059	4.2
81.03410	9.2
83.06100	3.1
84.04501	23.0
84.07703	2.1
84.08155	27.5
85.02924	11.4
85.08472	2.9
86.09711	100.0
87.05581	7.8
88.03993	3.9
91.05466	4.4
96.08133	3.4
97.02892	4.9
98.02407	3.1
98.51861	2.0
99.04434	5.0
101.07141	4.3
102.05531	6.4
103.05454	1.9
104.98354	2.7
109.02882	2.3
109.10128	1.8
110.07169	5.9
116.07115	3.4
119.04937	3.0
119.08628	1.9
120.08090	7.5
122.05995	2.1
127.03909	2.1
127.08660	1.9
129.06645	2.0
129.10239	13.8
130.05019	19.4
133.06032	4.4
136.07556	7.6
138.09155	4.2
141.10239	10.3
143.11850	4.6
145.04988	4.4
145.07530	1.9
147.07634	22.1
147.09039	3.6
155.11777	13.7
157.13351	4.4
161.09265	1.8
163.03963	3.5
171.11310	3.9
173.07109	8.0
175.08768	3.1
183.11299	8.4
191.08174	53.5
197.13014	2.0
200.13977	28.7
215.14084	2.7
228.13509	17.8
229.11929	2.3
242.15018	4.1
243.13329	3.2
245.11401	10.5
260.16040	21.1
261.15125	2.1
307.12930	13.1
325.10181	2.5
325.13937	41.0
341.22025	9.9
383.22897	1.9
487.17450	4.1
487.27646	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	487.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.2
56.96563	1.3
57.03433	0.3
61.02914	0.6
62.30838	0.2
68.10673	0.2
69.03432	2.1
69.31551	2.0
70.06606	1.1
72.08155	0.6
73.02904	0.4
74.61488	0.2
81.03400	0.6
84.04517	0.3
84.08147	1.1
85.02908	3.5
86.09714	0.3
87.04492	0.3
91.05473	1.4
95.80643	0.2
97.02898	1.4
98.97562	1.5
99.04441	0.2
101.02355	0.2
109.02867	0.5
110.97598	0.5
116.98635	0.7
117.05756	0.7
118.06541	5.8
119.01933	0.3
119.06007	0.2
121.53728	0.2
123.05529	0.2
127.03928	0.9
128.98593	0.4
129.10262	0.5
130.05006	0.2
133.07581	1.1
136.06236	0.5
136.07549	0.3
139.13278	0.2
145.07613	100.0
146.07886	1.1
146.99675	0.5
152.05696	0.4
158.99646	0.3
161.01443	0.3
161.07095	0.5
163.08672	15.4
177.00703	0.4
185.46704	0.2
191.02304	0.2
201.00690	0.3
219.01782	0.7
237.02855	0.8
287.05621	0.3
306.91840	0.2
325.13947	11.2
329.05038	0.3
369.04892	0.4
381.70837	0.2
387.06033	0.7
395.21008	0.3
487.19247	35.3
488.19345	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.6
55.01861	7.8
55.05515	51.0
57.03451	5.8
58.99573	10.1
59.04973	6.9
61.01136	9.0
67.05177	6.2
67.05511	94.7
69.03426	32.6
69.07069	26.1
70.06583	20.3
71.04987	19.9
71.07719	10.1
71.43347	4.2
72.08163	6.5
73.01141	46.1
74.09720	12.3
79.05502	52.2
80.14214	4.1
81.03424	14.4
81.07063	55.0
83.04977	21.3
83.08607	8.8
84.04516	14.3
84.08135	14.5
85.02903	46.9
85.06528	7.2
86.09704	14.7
87.00829	20.2
87.04471	10.9
91.05482	74.9
93.07047	57.6
95.01331	11.1
95.04961	13.5
95.08615	100.0
97.02908	28.7
97.06528	19.3
99.02686	14.2
99.04462	12.4
101.06017	33.4
104.98330	28.2
105.01873	15.4
105.07024	54.1
107.08587	32.3
109.02886	23.8
109.10158	36.1
111.02683	9.6
111.04440	17.7
112.03421	25.9
113.04248	36.2
115.05794	7.4
116.05315	8.4
117.07051	15.9
118.06846	7.9
119.08591	97.6
121.10152	22.8
123.08096	7.6
125.05995	7.4
127.03908	33.4
128.06250	8.4
129.03671	6.8
129.05489	25.1
129.06979	13.2
129.10222	9.9
130.05147	5.0
130.99869	6.2
131.08578	14.6
133.10129	56.0
135.08032	8.7
135.11694	7.4
137.09630	13.8
139.07614	5.5
142.99869	12.6
143.08589	18.0
144.00723	6.0
145.01425	8.8
145.05009	6.1
147.06560	11.6
147.08049	20.0
147.11716	26.0
149.04572	16.0
151.07600	10.9
151.11238	11.3
153.09126	6.7
155.64221	5.6
157.10094	8.7
159.02858	5.5
159.11700	22.2
160.00093	9.1
161.00952	8.7
161.09636	7.2
161.13260	53.1
165.09114	14.0
170.08086	7.6
175.11215	7.9
175.14838	86.1
175.97884	5.6
176.98662	4.8
177.03250	10.8
182.37721	5.1
185.13281	32.4
192.98245	5.9
193.16029	5.9
194.22702	5.2
202.05243	7.1
203.14322	78.1
215.05597	5.2
221.15387	62.0
248.71428	4.5
251.05255	17.4
272.95599	36.5
302.18555	4.8
305.06253	5.6
356.97296	4.7
402.92020	5.4
423.89926	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	487.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
57.03419	3.9
58.50986	2.1
61.02922	6.5
63.05045	2.0
63.66157	1.9
69.03435	21.2
70.06612	14.3
70.24327	4.3
70.24718	4.7
71.05000	2.8
72.08166	29.1
73.02940	3.0
81.03429	6.4
83.29633	2.3
84.04514	8.1
84.08149	11.2
85.02919	100.0
85.03442	4.9
86.09717	14.2
87.05598	2.3
88.03989	3.1
90.66279	2.4
91.03978	8.3
97.02891	22.4
99.04485	4.0
109.02880	7.6
117.22442	2.6
127.03938	28.0
129.10265	8.1
130.05061	4.3
145.04976	50.7
152.92967	2.5
157.09680	2.3
163.06006	16.8
171.14955	3.8
199.14444	3.4
291.36703	2.6
297.55679	2.5
396.84576	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	487.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.8
61.02929	9.1
69.03437	17.9
70.06595	6.6
70.99718	4.7
71.00038	2.5
71.04986	2.6
72.08147	5.0
73.02923	5.0
74.65153	2.1
81.03432	6.0
84.04514	3.1
84.08138	2.4
85.02910	100.0
86.09709	7.1
87.04478	3.1
91.03946	4.6
97.02905	26.5
99.04462	3.6
100.29949	2.0
101.35991	2.4
109.02892	7.4
120.08123	4.3
127.03932	24.5
145.04967	50.1
163.06030	22.3
236.46936	2.5
258.65497	2.3
327.85461	2.8
402.94904	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	487.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43824	3.5
55.05495	6.3
56.05030	4.1
57.53424	3.6
58.06599	3.6
61.01154	4.9
61.02916	11.3
67.05505	4.1
69.03427	27.2
69.07057	6.8
69.94171	18.0
70.06593	57.7
72.08154	18.2
73.01124	11.8
73.02933	4.2
81.03410	8.2
81.07064	6.8
84.04494	24.4
84.08168	22.8
85.02906	100.0
86.09708	35.1
86.72272	4.4
87.10053	4.0
91.03941	4.9
95.08622	3.8
95.13224	3.9
97.02899	20.7
99.02669	4.2
102.05520	4.1
104.98318	6.3
109.02909	7.7
109.10181	4.5
110.07162	5.3
113.04221	7.8
116.05390	4.1
116.07037	3.1
118.06862	6.5
120.08089	6.2
127.03929	28.9
129.10249	11.0
130.04941	4.4
145.01442	3.7
145.03157	5.3
145.04955	39.5
147.02985	3.3
162.05785	6.3
163.06020	12.4
163.11057	4.5
170.08124	6.9
179.04881	5.9
187.07185	5.0
201.09279	8.2
202.09785	5.3
264.30554	4.4
291.10043	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	486.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22601	0.6
52.65118	0.6
55.05500	3.1
57.07079	16.5
57.80735	0.6
67.05510	4.0
69.07066	5.9
70.85507	1.3
71.08285	1.0
71.08640	11.1
76.88096	0.7
77.98429	0.7
79.05503	1.6
81.07063	6.6
83.04984	0.6
83.08617	4.5
85.10180	5.9
86.47109	0.7
87.04472	3.5
91.05486	2.0
93.07041	2.8
95.08621	4.7
97.10172	3.0
99.11707	0.7
101.79938	0.7
105.07038	1.5
107.08584	4.8
109.06567	0.7
109.09499	0.8
109.10152	4.6
111.04454	1.0
111.11750	2.0
117.07022	0.9
119.07787	0.6
119.08604	3.0
121.06540	1.4
121.10152	2.8
122.07285	1.1
123.08079	1.2
123.11662	0.9
125.13244	0.9
131.08636	1.5
133.10173	1.3
135.08064	4.7
135.11707	1.7
136.08853	1.4
137.05980	0.9
137.09636	9.0
139.07536	2.1
144.00230	0.8
145.10112	2.0
149.09628	11.8
151.07529	1.5
159.11674	2.1
161.09633	0.9
162.06816	0.8
163.07542	1.7
163.11209	19.5
164.08356	3.0
165.09128	100.0
173.09627	2.1
173.13272	2.7
175.07558	0.7
175.11197	5.1
176.08395	1.1
176.89915	0.8
177.09122	10.9
177.12711	1.8
179.10732	1.5
186.10397	0.7
187.11192	2.8
187.14838	0.8
189.09138	1.3
189.12718	2.1
190.09920	1.5
191.10713	10.4
191.14372	1.1
192.27118	0.7
201.12740	3.0
203.10681	1.2
203.14276	1.5
204.11575	1.0
205.12241	10.5
214.12128	0.8
215.14346	2.3
217.15968	0.8
219.13724	3.4
233.15471	3.3
247.16945	0.7
261.18661	0.8
273.55280	0.7
289.21555	2.2
303.23203	1.6
317.24863	1.1
331.26517	1.1
399.08423	0.7
401.34070	2.1
411.36172	2.0
414.35300	0.8
429.37317	81.5
430.38074	5.0
441.52145	0.7
469.88086	0.7
486.39325	1.9
486.48297	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.9
55.05520	20.9
58.06592	6.9
58.99596	19.8
61.01160	23.2
69.82369	12.8
70.06600	4.9
73.01147	26.6
74.00661	2.8
74.02425	2.4
75.02680	2.3
76.02241	35.6
78.85551	2.2
79.05512	5.4
81.07057	9.1
83.08628	24.5
84.04511	45.9
85.01126	11.8
86.99030	2.7
96.08125	7.9
97.01151	2.5
98.06052	2.9
99.02690	37.8
101.04245	3.4
104.98322	46.5
105.97866	3.5
111.02714	3.4
112.04049	11.0
113.03509	3.7
113.04241	42.9
114.05003	8.2
115.05801	21.7
116.01686	10.7
116.05327	52.3
116.07078	11.6
116.98301	21.7
118.99872	61.2
124.07572	3.5
126.09065	2.5
130.05019	10.8
131.04387	2.1
142.03230	4.0
144.01144	6.8
145.01448	17.2
145.30843	2.6
146.02209	9.3
152.91019	2.2
162.02228	16.3
170.08144	33.8
173.09196	2.9
177.03308	2.5
179.00166	17.3
179.04866	37.4
179.99675	3.1
202.05357	31.9
219.08003	100.0
233.05977	8.6
245.09595	2.6
254.01521	2.3
273.09039	8.7
275.11179	2.8
283.02390	2.7
308.09143	8.1
320.22098	2.6
348.12317	18.4
349.13031	2.7
357.04376	2.5
413.07416	4.5
486.08444	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	486.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.6
55.05500	1.6
56.05023	4.6
57.98831	1.2
58.06603	10.1
58.98418	1.2
58.99591	11.0
61.01146	4.9
65.03924	2.5
67.05496	1.8
68.05038	3.2
69.03420	2.1
69.07069	2.7
70.06593	8.6
70.60716	1.1
71.56006	2.1
72.08153	1.5
73.01147	22.9
73.06559	43.2
74.00666	12.1
74.09709	4.6
76.01824	2.1
76.02233	27.8
76.03983	3.6
79.05501	2.2
80.67239	1.1
81.07057	4.3
82.06580	1.6
83.06100	1.3
83.07365	1.6
83.08614	2.2
84.04511	99.3
84.08141	7.4
85.04020	3.8
86.06023	1.1
86.09699	3.2
86.99057	2.9
92.01704	1.7
95.09109	1.2
96.08138	26.5
97.26038	1.1
99.02686	18.8
101.04255	3.3
101.45840	1.2
104.98328	19.1
105.03733	3.0
106.99864	2.2
107.99377	4.3
112.03967	13.7
113.03487	1.5
113.04227	4.9
115.05787	3.2
115.83672	1.3
116.01676	13.9
116.05324	32.2
116.07092	12.1
118.99866	1.4
124.07592	22.2
126.09155	4.8
130.04042	1.6
130.05013	29.7
130.99858	1.9
131.04550	4.7
136.07706	1.2
142.03261	7.5
142.08653	15.0
144.01180	7.0
144.04802	3.0
145.06071	2.3
147.02960	11.4
148.02504	5.1
156.06493	2.4
160.00702	2.2
162.02235	16.0
164.98666	2.8
170.02676	1.6
170.08139	100.0
172.04311	1.5
177.03294	16.1
179.00195	1.4
179.04875	38.6
180.11974	1.1
182.06357	1.4
188.01971	1.5
189.79518	1.2
202.05351	20.6
211.02065	11.4
213.12299	3.8
219.08017	57.2
229.06361	1.4
233.05830	3.4
234.02568	1.5
245.05888	2.9
245.09543	3.1
251.05220	22.4
273.08957	7.2
283.02390	1.5
285.04019	9.0
291.06390	5.2
305.06308	6.7
306.07516	2.2
308.09152	6.7
325.06857	1.8
348.12271	40.7
351.08517	2.7
379.07898	2.0
380.09476	23.4
388.15466	1.9
414.08127	4.7
448.15161	1.3
454.11288	11.1
466.90152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04281	1.1
55.05514	2.2
57.03428	3.9
57.06830	1.7
57.07084	23.1
59.58695	1.0
67.05510	5.1
69.07076	5.2
70.69703	3.1
71.08638	17.5
81.07054	8.3
83.08623	5.9
85.10191	9.9
94.78213	0.9
95.08604	8.8
97.10180	1.9
98.98477	21.2
109.10162	4.0
115.03123	0.9
140.68195	1.0
152.37598	1.3
155.01044	14.0
173.02086	1.6
176.65633	1.1
215.46962	1.0
239.23672	1.7
247.05952	1.4
251.30307	1.1
255.69058	1.0
313.27380	100.0
314.27698	2.0
393.24100	2.4
449.26682	6.4
487.95425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.05507	0.9
58.06600	14.0
59.07368	1.9
60.08170	8.0
61.01154	0.6
67.05520	0.7
69.03419	1.1
69.07056	1.3
70.02917	0.6
70.06596	9.4
71.06893	0.6
71.55338	0.8
72.08153	1.9
73.01133	0.8
73.08944	5.7
74.00668	0.6
76.66006	0.5
81.03421	0.6
81.07051	1.3
82.02919	0.6
82.06577	0.9
84.04511	3.2
84.08138	3.3
85.02906	2.8
86.00690	0.8
86.09222	0.5
86.09715	8.9
88.03979	1.2
93.07039	0.6
93.49413	0.4
94.06567	0.6
95.05016	0.5
95.08598	0.8
96.08147	0.7
97.02892	1.1
97.06551	0.7
100.07623	2.6
102.05551	0.9
102.09188	39.0
103.06342	1.1
104.98320	1.2
105.07052	0.8
107.08583	0.5
109.02859	0.4
109.07670	2.9
110.07211	1.0
110.08416	1.7
110.09667	0.5
111.02676	4.7
112.07560	0.8
113.01726	3.7
113.04221	0.9
114.02473	0.6
115.03270	0.4
115.05802	0.6
116.05345	0.8
116.07078	1.0
117.63351	0.4
118.08659	13.5
120.08090	1.3
122.06012	1.4
124.00897	0.5
124.07552	0.8
125.01689	0.7
126.03732	0.8
127.03912	0.6
129.10229	2.1
136.07545	0.8
140.07085	1.1
141.01183	2.7
142.01997	2.7
142.08601	0.6
143.02742	2.5
144.81186	0.6
145.04984	0.6
155.06436	0.7
168.05913	9.2
169.06654	0.6
170.08139	1.2
177.03229	0.6
183.05899	3.3
183.08269	20.9
183.14949	0.5
184.08981	1.1
199.18047	0.5
200.08479	1.0
201.09322	100.0
202.10114	4.2
209.09859	1.6
219.08090	0.5
224.12184	2.0
229.15425	0.6
233.06461	1.7
239.03049	1.4
242.13228	7.2
253.04520	2.4
268.59528	0.5
280.09396	1.4
282.16364	1.4
284.08789	0.5
294.11053	0.6
298.10437	1.6
312.12027	2.8
315.13977	0.6
330.13040	1.2
362.10110	1.1
395.08344	2.2
424.06763	18.2
442.07837	34.0
443.07944	1.0
486.06766	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	484.2695
Annotation	Sczukitine
Peak:m/z	Relative Intensity
53.03951	6.7
55.05506	11.6
57.07067	6.1
60.08076	4.1
63.46431	5.0
67.05505	16.7
69.07069	13.0
70.06596	10.6
71.56006	5.1
73.01112	7.2
79.05498	37.6
80.05004	8.3
81.07072	21.3
82.02940	6.6
83.08625	10.2
84.04524	9.2
84.08134	7.1
85.02910	12.2
86.09682	4.5
91.05477	47.2
91.70823	6.0
93.07057	38.5
94.02940	17.2
95.04976	5.8
95.08622	24.9
96.00900	4.3
96.04500	11.4
97.06553	7.9
98.00030	4.1
103.05482	6.4
105.07038	98.9
106.06567	9.9
107.08611	27.2
108.08160	5.3
109.06535	4.6
109.10172	20.9
110.02433	13.2
110.06052	6.5
112.04032	6.5
113.04261	11.7
114.01928	20.4
115.05504	14.8
117.05796	8.2
117.07030	47.6
118.06510	5.3
119.08583	71.1
120.08102	13.3
121.10161	23.0
123.11771	5.0
124.03981	11.3
126.05592	4.3
128.03439	7.5
128.06238	15.1
129.07025	18.6
130.06554	8.6
131.07513	5.9
131.08575	61.4
132.08112	11.8
133.10153	60.8
134.06029	8.5
134.09668	5.0
135.11729	13.4
138.01834	44.4
140.03452	23.6
141.06998	7.0
142.07796	11.8
143.08563	38.6
144.08200	5.8
144.09319	9.9
145.08992	9.7
145.10138	38.7
147.11714	13.0
148.07565	5.4
150.05629	5.6
152.03439	5.5
155.08592	15.8
156.02876	5.9
156.09358	13.6
157.10115	34.6
158.04333	5.1
158.10916	9.6
159.11688	31.2
160.07605	16.4
161.09686	8.7
162.05533	8.0
164.07085	7.8
167.08569	8.2
168.06607	4.3
169.10149	28.8
170.10933	5.4
171.11728	19.8
173.13286	49.4
175.14853	7.0
176.07095	18.7
177.55476	4.1
178.05008	27.7
179.08571	14.1
180.06619	6.9
181.10187	8.9
183.11742	14.8
185.13327	10.2
186.03966	6.0
186.14012	4.2
187.14886	9.1
188.05557	27.4
189.16426	9.8
191.14355	8.1
193.10226	7.6
194.10934	6.6
195.11790	9.7
197.13336	12.4
199.14842	37.4
204.06615	29.3
206.08130	7.8
206.11844	29.0
207.11691	6.3
209.13235	20.1
211.14833	8.8
214.07031	7.8
217.15979	22.5
220.12589	7.9
221.13330	9.0
223.14751	6.1
225.16344	7.1
235.14946	10.2
242.08040	4.7
252.08636	24.8
254.10115	7.2
260.09302	4.7
265.19485	9.0
278.10156	24.1
283.20624	5.6
291.21176	13.2
300.15973	6.3
307.02963	5.2
309.22165	11.2
318.13641	7.2
350.16129	6.4
374.19598	27.1
392.15604	5.2
392.20712	100.0
484.26767	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	484.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
53.03941	0.7
55.01868	0.6
56.05039	1.0
60.04524	0.4
60.68015	0.3
62.88173	0.3
67.20650	0.3
69.03432	1.5
69.07079	0.5
69.95278	1.7
70.06593	3.8
71.04986	0.5
72.08157	1.8
81.03424	1.7
83.06087	0.5
84.04504	1.5
84.08139	3.9
85.02915	7.0
86.09717	5.0
91.05494	1.4
94.30817	0.4
95.04939	0.5
97.02903	2.8
98.09148	0.4
99.04456	2.3
103.03946	3.2
104.05006	1.1
109.02875	1.8
110.07170	0.9
115.05467	5.3
116.05004	0.8
116.07069	0.4
117.05746	3.5
118.06549	7.0
119.08590	0.6
119.25358	0.4
119.94638	0.4
120.08101	1.3
122.06054	0.4
125.87652	0.4
127.03936	5.2
127.08651	0.5
129.10265	2.3
130.06577	0.5
132.04471	18.9
132.08104	27.3
136.07594	0.7
137.06027	0.5
140.04947	1.1
140.68855	0.4
141.06636	0.7
142.06535	9.6
144.08109	0.6
145.05003	2.7
160.07596	100.0
161.07956	1.4
163.06032	1.1
164.07103	0.5
172.04007	0.4
178.07053	1.0
178.08643	18.1
184.09561	0.4
185.09807	1.1
201.12323	0.5
203.85199	0.5
215.51254	0.5
236.20045	0.6
280.19083	0.7
440.26450	1.4
484.25479	2.4
484.31552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	23.3
57.03445	8.3
57.07075	10.8
62.85321	2.2
67.05498	4.7
69.07084	24.6
71.08625	5.8
81.07081	4.0
83.08633	23.0
93.07030	4.0
95.08599	4.5
97.10182	14.2
98.21452	5.7
98.98483	12.8
107.08575	3.7
110.78117	2.5
111.11747	5.7
121.10149	3.5
121.13576	2.1
135.11714	2.7
151.37083	2.1
155.01079	6.8
229.48183	2.3
275.63074	2.8
311.25824	100.0
447.25031	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	483.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54839	0.7
55.05509	1.2
56.05041	1.6
56.14697	0.6
59.09380	0.6
60.04527	1.4
60.50481	0.7
61.02900	0.7
68.45574	0.7
69.03416	1.9
69.07063	2.0
69.79601	2.4
69.80018	1.3
70.02940	0.7
70.06597	9.5
71.04971	1.2
72.06791	0.7
72.08154	7.0
74.06056	0.8
79.14519	0.6
81.03405	1.6
83.06120	0.8
83.72895	0.7
84.04514	2.7
84.08147	7.3
85.02899	3.0
86.09721	9.8
87.05583	1.1
87.10023	0.8
90.27126	0.7
91.05489	1.4
97.02874	0.9
98.09735	1.0
98.21467	1.4
99.04439	0.9
102.05580	0.8
109.02867	1.6
110.07168	3.3
114.09178	0.9
116.07126	0.7
120.08119	6.6
122.06052	0.7
129.10268	4.1
130.06590	0.8
132.04453	1.9
132.08069	2.3
136.07573	5.6
137.05966	1.3
145.04918	0.9
160.07584	8.0
164.07082	6.0
178.08572	1.8
182.08264	2.0
183.09323	1.1
184.11198	0.9
185.04018	0.8
185.09857	4.4
186.10144	1.8
195.09171	2.7
195.10869	0.6
196.09973	11.9
209.07033	1.2
210.07956	1.2
211.08713	2.1
211.12321	4.4
212.10811	14.3
213.10378	1.0
217.72319	0.9
219.15034	0.9
223.08727	2.4
224.09436	9.5
226.11147	0.8
231.04340	1.7
232.23979	0.7
232.36943	0.9
239.08243	1.0
239.11821	24.2
241.13283	3.9
250.09593	0.8
257.13089	0.9
267.11313	77.4
268.11606	1.3
270.09976	1.2
272.11670	1.2
285.12357	100.0
286.12799	1.7
303.13403	25.5
303.18964	1.0
321.14505	1.2
321.24692	1.0
326.12616	1.0
369.87363	0.7
400.24411	0.7
410.56955	0.7
429.17230	0.8
447.17502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
56.05040	1.3
57.16111	0.5
67.05505	1.1
69.03416	2.0
69.07056	1.9
69.43606	4.5
70.02963	0.5
70.06255	0.6
70.06602	9.2
72.08166	6.7
74.06054	0.7
79.05492	1.0
81.03413	2.0
81.07046	0.8
83.06095	0.8
84.04496	2.7
84.08146	6.5
85.02902	3.3
86.09715	10.3
87.05557	0.7
91.05507	0.7
93.07019	1.0
94.06520	0.8
95.08579	0.7
97.02879	1.7
98.09681	1.0
98.20704	1.0
101.07092	0.6
102.05541	1.1
105.07049	0.6
109.02882	1.2
110.07174	3.4
114.09159	1.0
118.06554	0.6
120.08120	7.4
124.07586	0.5
126.02480	0.6
127.03928	1.5
129.10248	4.2
132.04456	0.9
132.08090	1.2
136.07579	5.1
137.05858	1.0
141.06555	0.6
145.04997	1.0
154.08670	0.9
160.07587	5.8
162.13106	0.6
164.07071	5.2
177.10406	0.6
178.08710	1.0
181.07626	1.0
182.08296	2.2
183.09180	1.1
184.11322	0.7
185.03818	0.7
185.09857	3.2
186.10193	0.9
186.12375	0.6
187.61433	0.6
195.09181	2.1
196.09955	11.3
201.12396	0.7
209.10809	0.7
210.07854	1.0
211.08662	2.3
211.12383	3.8
212.10823	12.6
213.10439	0.6
219.14993	1.6
223.08786	1.2
224.09451	7.7
225.10127	1.1
226.10986	1.4
231.04382	1.9
235.11847	0.6
239.08167	1.2
239.11815	25.3
241.13322	2.5
243.11246	0.5
254.10429	1.5
257.13065	0.9
267.11304	69.1
268.11719	1.2
270.09976	1.0
272.11609	1.4
285.12354	100.0
286.13089	1.0
303.13400	25.0
303.23276	0.8
308.11240	1.0
321.14279	1.0
326.12363	1.2
339.85056	0.7
393.05807	1.1
403.18558	1.0
411.27069	0.7
461.62973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61441	0.4
55.05513	0.5
56.05029	1.4
57.03431	0.7
57.07081	2.5
58.06604	1.4
60.08171	16.0
67.05503	1.3
69.07065	0.7
69.29855	0.4
69.90984	1.3
69.91398	0.9
71.07379	5.9
71.08648	1.8
81.07064	1.0
83.08660	0.5
85.10183	1.0
86.09711	45.7
87.10060	0.3
94.18575	0.4
95.08604	1.0
98.98468	4.1
104.10751	100.0
109.10147	0.5
113.04179	0.3
125.00014	28.6
131.04932	0.6
163.01553	0.8
184.07355	93.3
185.07664	0.6
201.17577	0.4
232.45532	0.4
258.11166	1.1
289.95313	0.4
299.25870	2.1
405.24310	0.6
418.29642	0.5
464.31393	8.1
482.32465	29.3
483.32904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3244
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
52.35682	1.0
55.05502	3.1
57.03436	3.2
57.06826	1.8
57.07083	24.1
62.06092	25.5
64.47158	1.0
67.05501	5.2
69.07069	4.7
69.38120	8.7
71.08283	1.8
71.08643	20.9
71.09010	2.4
77.57603	1.3
81.07059	6.1
83.08633	3.6
85.10185	10.0
89.06049	13.2
95.08624	9.5
95.37376	1.1
95.42181	1.1
97.10171	2.6
98.21564	2.2
98.98463	7.9
109.10159	4.3
111.11758	1.6
123.11739	2.1
133.08594	5.6
142.02660	1.7
155.01041	7.8
177.11189	3.2
216.06367	2.8
268.76001	1.2
281.24365	1.1
283.17438	6.3
310.31018	12.6
341.30515	100.0
342.30838	2.6
421.27042	5.5
464.31287	1.9
465.37991	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	483.198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.4
59.79489	0.6
60.04533	0.7
61.41375	0.5
69.03423	1.7
70.06251	0.6
70.06604	7.2
70.89432	1.6
72.08162	5.1
80.81779	0.5
81.03402	0.6
84.04523	2.8
84.08153	9.0
84.29284	0.5
85.02918	2.8
86.09717	6.1
87.10042	1.0
91.05482	0.9
97.02895	0.6
102.05545	0.7
110.07182	5.5
112.08741	0.9
116.07095	1.1
120.08086	3.4
127.08729	0.8
129.09380	0.6
129.10233	3.6
130.06497	1.1
136.07567	1.8
151.07510	0.6
157.07692	0.8
169.08820	0.9
181.07690	0.6
182.08360	1.6
183.09096	0.7
184.11295	1.2
185.44359	0.6
195.09225	3.4
196.09999	10.9
197.08395	0.8
206.08136	0.7
209.07185	1.0
210.07927	1.1
210.11552	0.8
211.08740	2.3
211.12292	4.3
212.10806	11.9
213.10191	1.0
223.08818	1.9
224.09453	7.7
225.10149	0.9
226.11035	1.1
230.11490	0.7
239.11819	21.5
241.13373	3.3
254.10526	1.1
267.11322	65.4
268.11615	1.5
270.09995	0.8
272.11639	0.7
285.12363	100.0
286.12631	2.2
303.13449	23.7
305.05420	0.8
408.36838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99864	1.3
61.01156	1.4
69.07045	3.1
70.06597	8.3
70.19038	1.2
71.54610	1.2
72.08159	2.4
73.01151	2.0
73.30035	1.2
76.89439	1.2
79.05501	1.7
81.07079	1.9
83.04957	1.6
84.04493	1.7
84.08139	5.6
84.63515	1.2
86.09713	6.5
91.05473	4.6
93.07026	6.7
95.04988	2.9
101.04240	1.6
103.05465	3.8
104.98334	2.9
113.04243	6.4
121.06512	100.0
125.06023	1.7
129.10231	1.7
137.11684	1.3
145.01460	1.9
165.05461	19.1
173.13428	1.4
183.06549	4.7
449.20557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37040	0.9
55.05509	3.1
57.03423	4.0
59.80096	0.9
60.08154	2.9
61.02932	2.1
67.05504	9.6
69.07073	8.4
69.33714	7.5
70.06585	4.5
71.04974	1.0
72.08131	1.0
79.05508	4.5
81.07060	33.9
83.04973	2.0
83.08618	3.8
84.08126	2.3
85.02914	2.3
85.06551	1.3
86.09696	2.4
91.03953	1.0
91.05489	9.6
93.07042	5.2
95.04973	1.0
95.08609	6.3
97.02865	1.5
97.06519	3.0
99.08125	2.4
105.07033	15.8
107.08584	4.8
109.06517	3.7
111.02632	2.1
113.01752	1.3
113.04235	2.2
114.82196	0.9
118.08665	1.9
119.08598	12.0
120.08073	1.0
121.10143	10.3
123.08046	1.3
123.11721	13.2
127.03905	1.1
128.08376	0.9
133.10121	1.5
137.13228	1.0
141.09085	1.3
147.11703	38.3
148.12076	1.1
157.10193	1.3
165.12753	16.9
168.05888	1.1
175.11201	1.4
183.05811	1.1
183.13748	2.8
183.67679	1.3
193.12126	1.2
201.09306	1.6
205.08192	1.1
211.44225	1.0
229.14426	6.0
239.03079	1.5
242.13228	3.1
267.15924	39.2
268.16159	1.2
285.16977	100.0
286.17386	1.5
298.10699	1.6
420.12634	3.4
438.13599	7.9
482.12106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99596	1.4
59.96741	1.3
60.04528	2.4
66.46043	0.9
67.05501	1.4
69.07068	2.2
69.79458	6.0
72.27982	1.0
73.01147	100.0
79.05485	1.5
81.07053	1.3
81.12794	0.9
93.07000	1.4
97.06548	1.5
98.54393	1.3
99.07612	1.1
104.98299	1.7
106.47282	1.0
106.99877	4.5
110.31027	1.0
113.04250	6.7
115.03761	1.4
129.03687	1.3
136.95538	0.9
141.00609	1.1
145.01372	1.5
149.04556	46.0
167.05595	10.3
167.49619	1.2
170.21147	1.1
172.30295	1.2
318.29950	1.3
319.30527	1.3
479.95807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04529	6.3
61.73167	0.2
69.03429	0.4
69.07053	0.3
70.02955	0.5
70.06593	1.8
70.71923	0.2
70.80975	0.5
71.35733	0.2
72.04519	0.4
72.08152	0.9
76.75100	0.2
81.03416	0.3
83.89577	0.2
84.04504	0.5
84.08154	0.8
85.02917	0.5
86.09712	23.9
86.49702	0.2
87.05604	4.9
87.10043	0.3
88.03999	0.5
91.05473	0.7
93.07056	1.4
95.04934	0.4
98.21428	0.4
103.05479	3.7
105.07011	0.4
110.07163	0.7
110.09740	0.3
112.11285	0.4
112.64968	0.3
120.08113	100.0
121.08448	0.8
127.03912	0.3
128.10733	3.4
129.10272	0.4
134.04506	0.6
136.07544	0.3
137.05946	0.3
140.80194	0.3
163.30327	0.3
170.72736	0.3
173.12869	28.2
174.13240	0.5
201.12355	12.8
233.16504	0.3
240.36993	0.3
261.15961	0.5
263.10266	0.6
264.08804	0.3
281.11337	28.6
282.11658	0.5
303.16995	2.0
305.05423	0.3
348.19135	1.6
394.20837	0.2
463.21396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.6
55.05511	1.3
56.05022	4.2
58.06606	14.8
58.99591	8.3
59.46737	1.1
61.01153	5.8
65.03948	1.1
67.05492	2.2
68.05018	1.3
69.03409	1.4
69.07059	1.4
70.06603	10.0
71.10071	2.3
72.08173	1.4
73.01145	26.3
74.00671	14.8
74.02435	3.4
76.02229	18.9
76.03991	2.2
82.06575	2.3
83.06091	3.1
83.07326	2.1
84.04510	53.9
84.08134	7.8
85.02908	1.6
85.04038	6.5
86.09705	2.9
86.99061	1.8
89.04238	1.9
92.01704	4.4
93.21281	1.1
96.08131	9.2
99.02070	1.8
99.02684	30.6
101.00611	100.0
101.04224	3.8
102.05562	1.5
104.98319	15.0
107.23458	1.3
107.91084	1.2
107.99370	2.5
109.07633	1.8
112.03983	16.9
113.03499	1.3
113.04185	1.3
114.03757	1.6
116.01666	8.7
116.05325	51.3
116.07086	19.8
116.98312	12.5
120.08118	1.5
124.07593	7.0
126.09171	1.4
127.02103	1.3
129.06616	6.2
129.10196	1.2
130.05008	29.8
131.04527	6.9
131.08896	3.1
132.97780	11.8
142.03215	7.1
142.08661	5.9
144.01155	4.2
144.04723	1.6
145.06081	3.0
148.02505	5.5
155.08180	3.6
160.00659	3.7
162.02193	8.4
170.02734	2.0
170.08133	39.2
175.02518	3.5
177.03322	22.9
179.04848	16.5
181.06099	2.4
188.02049	2.3
202.05350	32.7
211.02074	3.5
213.12308	2.4
219.08005	85.1
229.06451	1.5
231.04341	5.0
233.05827	4.0
234.02452	1.5
245.05984	3.5
251.05196	16.9
261.03638	3.3
273.08942	7.6
279.04871	1.1
279.86722	1.0
291.06421	4.1
298.78986	1.5
305.06369	6.7
306.07678	1.5
308.09024	4.1
330.11322	1.5
331.09692	2.8
348.12283	13.9
353.06564	1.2
380.09579	6.2
407.07678	8.0
438.21350	1.7
464.09589	1.6
482.21088	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	480.3087
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.11626	1.3
51.27721	1.4
55.05301	1.4
55.05516	14.5
57.03434	4.4
57.07069	4.8
62.06091	27.7
67.05508	10.5
69.07077	23.3
71.08632	2.3
71.55896	1.6
79.05480	4.1
81.07068	13.8
83.08631	17.9
93.07030	3.7
95.08611	13.8
97.06534	1.8
97.10164	5.5
98.98444	7.2
105.03471	1.7
107.08570	2.9
109.10141	5.8
111.11729	1.5
121.10134	3.4
123.11770	2.4
124.01617	1.9
135.11668	2.7
142.02625	1.5
149.05937	2.2
155.01056	5.7
196.90594	1.3
216.06371	3.6
265.25241	3.3
308.29486	15.0
339.28967	100.0
419.25668	2.0
456.23038	1.4
462.29568	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	480.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50491	0.4
52.37268	0.4
53.82919	0.4
55.05518	2.1
56.05025	1.0
57.03424	0.7
58.06613	1.4
60.08166	16.8
60.08470	0.8
67.05502	1.7
69.07068	1.5
70.06593	0.8
71.07028	0.6
71.07382	6.4
71.55544	0.7
72.25001	0.4
74.09712	0.7
79.05488	1.3
81.02837	0.4
81.07051	1.7
83.08626	1.3
86.09708	48.8
93.07047	1.2
95.08611	1.0
97.06523	1.3
97.10147	0.4
98.98470	4.1
101.22713	0.4
104.10748	100.0
105.11080	0.5
107.08630	0.7
112.03400	0.4
113.04242	1.0
121.10120	1.0
123.11693	0.5
125.00012	26.2
126.72276	0.4
129.05446	1.1
145.01431	0.6
146.88103	0.4
163.03976	1.0
181.02621	0.7
184.07349	97.4
207.06589	0.9
258.11032	0.9
289.14709	0.6
297.24271	1.0
462.29788	8.9
480.30850	27.7
481.30423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3089
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03946	0.9
55.05273	0.9
55.05516	13.1
56.73037	0.4
57.03442	7.4
57.07081	6.9
62.06071	0.6
65.27007	0.5
66.26096	0.4
67.05509	11.6
69.07072	19.7
69.81051	2.6
70.71752	0.4
71.08641	3.3
79.05494	5.8
81.07060	10.9
83.08624	13.5
85.06557	0.5
85.10189	1.4
86.09706	1.9
87.10080	0.7
87.83140	0.4
91.05489	1.3
93.07051	7.6
95.08048	0.8
95.08614	11.4
97.06544	2.4
97.10172	7.5
98.06058	0.5
99.08101	0.7
101.98611	0.6
104.10736	1.0
107.08608	3.0
108.49802	0.5
109.10164	4.9
111.08072	1.1
111.11747	2.5
113.04247	0.5
121.10147	6.3
123.11724	1.2
124.01613	0.6
124.99992	1.1
125.09631	0.7
127.11117	0.5
135.11697	4.5
149.13251	2.0
247.24286	1.0
265.25253	1.5
305.95169	0.4
308.29398	2.7
339.28958	100.0
340.29333	2.2
366.77570	0.5
480.33704	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	480.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.05516	7.5
56.05040	1.4
56.97261	0.3
57.05799	0.8
58.06603	0.6
60.04524	5.1
67.05512	0.4
68.32954	0.3
68.99813	0.3
69.07062	2.0
70.02967	0.4
70.06595	4.1
72.08160	100.0
73.08493	0.4
74.06084	0.8
81.03425	0.7
83.06104	2.2
83.08613	0.3
83.62844	0.3
84.04521	1.2
84.08152	2.8
85.02905	0.9
85.04852	0.3
86.06075	0.8
86.09711	10.6
87.05601	2.3
87.10070	0.3
88.04001	0.5
91.05473	0.8
91.36217	0.4
97.02901	0.4
98.02431	0.9
101.07146	0.7
102.05551	0.6
103.05475	0.7
104.05291	0.5
109.02893	0.9
110.07191	1.0
113.07140	1.8
114.09167	1.3
115.07570	0.5
120.08111	23.6
121.08453	0.5
124.07610	0.6
126.02509	0.6
127.03226	0.4
129.10245	3.2
130.10538	0.4
131.05006	0.6
131.08160	4.0
133.06161	1.3
136.07610	0.8
137.05975	0.5
141.06584	3.8
141.10271	0.8
142.99898	0.4
144.08128	0.5
149.06023	0.5
153.06619	0.4
153.10242	0.7
157.09731	4.0
157.10759	0.4
159.07658	5.2
159.11298	6.5
162.09154	0.8
166.08652	13.6
169.09807	0.9
177.10246	3.6
185.09869	1.4
185.13060	0.4
186.10565	0.7
187.10800	2.4
193.61006	0.4
195.11449	0.4
207.11314	4.0
212.14026	1.6
213.12387	0.6
214.91194	0.4
216.09798	0.8
223.10785	9.9
223.12872	0.6
235.10780	3.6
240.13443	15.1
242.11409	0.8
244.13017	1.1
246.14694	1.4
252.13506	0.5
258.14484	1.8
272.12552	1.2
277.15662	0.4
287.17218	0.9
297.15707	1.5
303.05112	1.2
304.05249	2.5
315.16644	4.2
322.17618	6.9
322.21103	0.5
327.09470	0.4
332.16083	0.4
348.19199	0.5
409.20895	0.5
436.12430	1.0
444.22583	0.6
480.24423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77930	0.6
53.03938	1.2
55.01864	2.6
57.03433	4.5
60.04509	0.8
61.02929	7.7
69.03432	16.9
70.06596	2.8
71.04990	1.5
71.54998	0.6
72.08160	5.9
73.02924	3.7
81.03428	6.5
83.63472	0.5
84.04508	2.2
84.08142	3.7
85.02908	100.0
86.09713	2.2
87.04467	2.3
91.03967	4.4
91.05498	1.8
93.07040	2.1
95.04984	0.8
97.02898	26.0
98.03293	0.6
98.74471	0.6
99.04462	4.6
101.02354	0.7
101.07142	0.8
103.03938	0.8
103.05469	1.7
105.04634	0.5
109.02888	8.0
110.07191	1.3
111.00932	0.6
115.03970	0.6
120.08112	5.3
121.02870	1.1
121.06511	32.9
124.03941	0.5
127.03926	23.8
128.04266	0.8
129.10252	2.4
131.08591	1.2
136.07565	0.8
137.02377	1.7
138.02682	0.8
139.03955	0.8
145.04970	45.8
145.06383	1.7
146.16556	1.6
153.01825	3.0
154.02184	0.9
157.06544	1.3
159.08113	2.4
163.06036	16.5
163.07375	0.9
165.01920	1.2
166.08649	1.0
169.06418	0.9
175.07570	0.8
179.07114	1.8
183.08044	0.6
187.07542	11.9
187.09146	0.9
201.05486	0.7
201.09006	1.0
205.08615	9.1
211.07547	1.3
217.08620	0.8
229.04991	1.4
229.08653	4.0
230.05374	2.0
234.10837	0.9
235.09741	1.1
247.09625	4.5
257.04645	0.7
258.04874	1.4
265.10678	5.1
274.04715	0.7
285.03992	0.7
289.09335	1.1
303.05029	16.8
304.05341	40.1
305.05673	0.9
317.06693	1.8
318.06909	4.5
325.11572	1.7
480.08731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
53.03949	2.3
55.01869	2.5
57.03444	5.4
60.04530	0.7
60.27250	0.6
61.02935	8.7
62.25655	0.6
62.81501	0.6
69.03435	17.1
69.87547	0.6
69.97310	1.3
69.97712	2.1
70.06599	1.5
71.05011	2.1
73.02917	3.7
74.35168	0.6
79.94288	0.8
81.03429	7.4
84.04494	1.5
84.08156	1.5
85.02914	100.0
86.09750	0.9
87.04475	2.7
91.03968	4.1
95.04984	15.0
96.19892	0.6
97.02903	26.9
99.04445	3.1
109.02896	9.5
110.07233	0.7
115.03926	1.1
120.08124	2.4
121.02872	10.9
121.06524	5.2
124.80931	0.6
127.02985	1.2
127.03928	25.3
129.10263	1.5
139.03917	52.8
140.04184	0.7
144.06589	1.4
145.04974	46.9
146.92514	0.6
162.07600	0.8
163.06049	14.3
172.14847	0.7
180.08717	1.1
187.07574	1.5
205.08658	1.4
271.08017	0.8
283.08054	1.8
301.09338	0.9
303.04938	3.5
304.05396	8.3
304.20313	0.9
336.67944	0.6
362.73282	0.7
420.87976	0.7
480.08249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58022	4.6
53.02955	5.1
57.07084	81.2
61.47044	4.7
65.13381	5.5
69.07071	22.2
69.61562	38.3
71.04989	25.4
71.08634	79.3
81.07074	12.8
83.08619	9.9
85.10198	47.9
89.06042	52.7
92.09840	5.0
93.07042	11.6
95.08634	7.2
107.08590	8.4
109.06532	6.1
115.03944	6.9
119.08557	6.3
125.06009	70.9
130.86209	5.2
131.08594	9.5
135.08028	6.8
141.05511	5.5
145.10144	7.2
149.09680	6.2
151.07562	31.2
153.05475	100.0
153.09085	6.6
163.07567	10.5
163.11215	6.0
165.09096	32.2
166.99055	4.9
177.09140	24.1
179.10669	9.8
183.06596	16.3
191.10703	14.8
195.10378	6.2
200.70860	5.3
205.12434	6.1
279.19595	8.2
293.21173	8.2
307.22531	8.0
393.00446	6.6
419.35370	60.1
443.58600	6.0
461.36209	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	20.4
57.07083	100.0
67.05500	10.4
69.07072	42.8
69.35928	3.0
71.08640	87.3
74.81212	3.3
79.05499	14.6
81.07063	42.6
83.04983	13.3
83.08187	4.8
83.08634	32.9
85.06549	4.4
85.10192	51.0
93.07042	32.3
95.08624	37.8
97.06530	7.8
97.10165	18.5
99.08118	10.4
99.11714	6.7
99.86369	3.3
101.06033	37.4
107.08611	27.0
109.06516	14.3
109.10173	16.3
111.04424	3.4
111.08073	8.1
111.11726	10.9
113.13294	4.4
115.07586	10.5
121.10139	19.5
123.11711	6.6
123.60011	3.3
125.06006	8.8
125.09625	3.6
125.13289	7.1
127.07565	93.0
127.11208	4.1
129.05493	90.0
131.85625	3.1
133.10115	3.4
135.11673	15.9
137.13216	4.5
139.07593	7.1
143.07025	10.8
149.09610	3.6
149.13287	19.7
151.14771	3.8
153.09117	3.5
153.12759	5.0
157.08740	4.7
163.11253	3.5
163.14845	15.7
167.10686	4.0
167.14325	4.8
172.47662	3.1
177.16405	10.6
181.15880	7.1
183.98424	3.0
185.11566	3.0
191.17987	5.8
195.17468	5.1
199.13356	4.6
205.19545	5.2
209.19073	7.4
213.14882	5.6
225.22223	4.1
233.22821	5.1
237.22264	4.6
241.18109	4.9
247.94255	3.5
251.23535	3.1
289.28949	14.2
307.29968	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	479.1189
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.05509	0.4
56.05027	0.7
60.04530	0.6
65.03953	0.4
68.99811	0.5
69.03434	1.7
69.07056	0.9
69.91534	0.8
69.91936	1.0
70.06599	4.9
72.08158	3.6
73.02882	0.4
74.06068	0.8
81.03410	1.1
83.06100	0.5
84.04504	1.6
84.08149	3.1
85.02910	3.8
86.09715	8.7
87.05602	0.8
91.05484	0.5
92.02638	1.1
93.03404	1.2
95.04968	0.3
97.02895	1.2
99.04436	0.5
100.33807	0.3
102.05543	0.5
109.02898	0.7
110.07183	2.8
111.00787	0.5
116.07091	1.9
120.08112	5.5
121.02870	1.3
126.03150	0.5
127.03883	1.0
129.10262	2.0
129.11099	0.3
135.06873	0.3
136.07591	2.4
137.02344	2.0
139.03899	1.2
143.11833	0.3
151.03923	1.1
153.01837	10.4
157.13364	0.4
160.07588	0.3
165.01776	1.8
172.05104	0.5
173.05986	0.4
173.09277	0.5
178.08600	0.6
183.02899	0.5
183.04364	0.3
185.09270	0.4
185.13028	0.3
187.07378	2.0
193.11920	0.3
197.51599	0.3
199.07404	1.1
201.05521	1.6
203.03413	0.5
215.07159	0.3
216.07817	0.7
216.09991	0.6
217.05029	1.1
218.05812	0.8
219.11362	0.4
223.10793	1.7
223.17709	0.3
228.04227	1.5
229.04968	6.3
229.07036	0.7
229.15471	0.4
231.02783	0.8
243.08815	5.0
243.11203	0.6
244.09587	17.7
245.04510	1.8
245.10155	0.5
246.05266	2.4
247.06073	0.4
251.10223	1.7
256.03659	0.6
257.04474	3.9
260.03003	0.3
266.16373	0.4
273.03857	2.5
274.04739	4.6
277.11896	0.4
284.03177	0.5
285.03903	5.6
302.04230	15.1
303.05002	34.2
304.05243	0.8
317.06580	100.0
318.06909	1.1
359.07700	0.5
362.13553	0.6
378.15399	1.7
379.16183	6.8
479.07892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	15.2
55.01866	14.4
55.05514	43.8
57.03444	43.9
57.07075	5.8
61.02951	4.3
65.03925	4.8
67.05175	5.5
67.05508	97.2
69.03081	4.8
69.03436	65.6
69.07066	36.1
70.65748	11.0
71.01355	10.3
71.04991	9.0
73.02911	14.3
78.87016	3.0
79.05058	5.6
79.05494	73.1
81.03422	62.6
81.07060	100.0
83.04992	16.2
83.08613	14.2
85.02912	35.2
85.06551	7.0
87.04455	5.4
91.05486	81.3
93.07045	78.3
95.01282	3.9
95.04958	17.9
95.08605	69.0
97.02887	28.2
97.06525	13.5
97.10141	7.5
97.88833	3.0
99.04468	18.8
99.08106	3.8
103.03936	10.6
103.10277	3.5
104.23153	3.3
104.98336	5.7
105.06384	6.1
105.07042	78.6
105.07768	4.7
107.04961	9.4
107.08601	42.6
109.02884	26.5
109.06528	11.0
109.10155	35.0
111.04451	13.6
111.08102	7.9
113.04185	8.6
115.03906	7.0
115.05473	5.2
117.07011	34.4
119.08587	52.5
121.06509	10.8
121.10156	33.3
123.04408	8.9
123.08082	11.0
123.11723	9.6
125.02390	4.1
125.05968	5.1
127.03925	30.5
128.06177	5.8
129.05469	12.9
129.06990	23.9
130.07782	5.5
131.04951	3.3
131.08586	44.0
133.06476	9.9
133.10121	35.8
135.08087	8.4
135.11725	23.7
137.06006	3.6
137.13278	4.6
141.07007	7.6
142.07835	6.0
143.08585	24.8
145.04959	11.3
145.06516	8.4
145.10130	34.4
147.08058	10.0
147.11684	27.9
149.09531	5.9
149.13283	17.0
151.07565	4.0
155.08578	12.3
157.06459	7.2
157.10129	25.7
159.08023	9.1
159.11696	32.8
161.09644	10.4
161.13248	21.4
163.11201	5.7
169.10115	10.1
171.08049	5.2
171.11726	16.5
173.09586	9.3
173.13274	18.4
175.07487	4.2
175.11172	4.3
175.14822	7.3
177.12741	6.5
181.10139	7.6
183.06644	6.9
183.08107	7.7
183.11713	12.2
185.09659	5.3
185.13263	12.2
187.11163	7.4
187.14873	11.9
189.12674	3.7
195.11783	6.6
197.09673	3.9
197.13281	12.2
199.11185	4.5
199.14845	10.6
201.07599	4.0
201.12740	5.8
203.10680	3.4
203.14516	4.4
211.14832	9.5
213.12772	5.0
215.14220	4.2
229.16014	5.1
239.11513	3.7
259.20627	5.5
261.22113	14.6
267.21365	4.4
273.22159	7.5
277.21622	4.3
285.22006	6.0
289.21567	4.3
297.22040	4.5
301.21646	6.3
303.05026	5.3
303.23120	7.6
315.23016	9.0
317.24738	4.2
327.23251	8.4
335.25858	9.5
339.23312	4.7
341.24811	10.8
345.24310	9.5
351.23145	15.0
359.25821	5.6
361.09338	4.1
363.25113	4.7
369.24252	37.3
387.25204	23.6
389.26904	5.9
405.25958	4.4
419.27606	6.7
425.26456	6.1
431.28098	6.2
443.27905	31.7
449.28656	4.8
461.29016	62.0
479.30072	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.70269	0.1
65.03944	0.3
68.99818	0.2
69.03430	0.1
69.07078	0.2
70.06598	0.9
72.08154	0.3
74.06065	0.1
81.03419	0.2
84.04498	0.2
84.08156	0.4
85.02907	0.2
86.09719	0.6
92.02631	1.2
93.03416	1.1
94.31989	0.1
109.02913	0.2
110.07197	0.2
111.00803	0.3
114.00295	0.1
120.08096	0.1
121.02864	1.2
122.03651	0.1
126.03128	0.4
129.10242	0.2
133.02907	0.2
136.07628	0.2
137.02359	0.4
137.06023	0.2
139.03903	1.3
148.85764	0.1
149.02377	0.2
150.03113	0.1
151.03918	0.9
151.05014	0.2
153.01837	9.2
155.04924	0.1
155.08141	0.1
163.03954	0.4
165.01851	0.8
166.02660	0.2
169.74803	0.1
173.06004	0.2
177.05460	0.3
183.02911	0.3
183.04431	0.1
192.02657	0.1
192.04292	0.1
201.05505	0.9
201.12553	0.1
203.03351	0.6
211.03912	0.1
215.44394	0.1
217.05020	0.9
218.05757	0.7
219.02899	0.3
228.04196	1.5
229.04964	4.4
229.14047	0.1
231.03026	0.4
232.03566	0.1
245.04501	1.3
246.05235	2.0
247.02409	0.1
256.03696	0.4
257.04471	3.0
260.03159	0.4
261.07642	0.3
271.06119	0.3
273.03934	2.0
274.04739	4.5
284.03201	0.6
285.03955	5.0
286.04358	0.2
287.02118	0.2
288.06308	0.2
301.03552	0.2
302.04227	14.7
303.04974	5.7
317.06564	100.0
318.06894	1.5
404.61301	0.1
409.77878	0.1
463.81381	0.1
479.12140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03939	0.5
53.60295	0.2
54.21899	0.2
55.01864	0.5
57.03426	1.1
61.02932	1.8
69.03088	0.3
69.03434	4.0
69.95332	1.0
71.04986	0.4
73.02919	0.4
81.03426	1.9
85.02908	10.5
86.09698	0.4
87.04444	0.5
91.03961	0.7
92.02625	1.0
93.03400	0.8
95.60123	0.3
97.02893	3.6
98.97630	0.2
99.04441	0.5
109.02866	1.1
121.02106	0.2
121.02872	1.0
126.03124	0.4
127.03909	1.8
137.02364	0.3
137.06047	0.3
139.03896	0.7
145.04965	1.9
147.04434	0.4
151.03918	0.7
153.01839	7.9
165.01819	0.6
190.11493	0.2
201.05424	1.0
203.03351	0.6
217.04982	0.9
218.05795	0.7
228.04175	1.5
229.04984	3.5
231.02873	0.4
245.04446	1.2
246.05237	1.7
256.03714	0.4
257.04474	2.9
260.03262	0.4
261.07529	0.4
273.03912	1.5
274.04697	4.2
284.03101	0.5
285.03961	4.7
287.05807	0.2
297.92654	0.3
301.03494	0.3
302.04227	12.8
302.85721	0.3
303.04849	0.6
317.06564	100.0
318.06973	1.6
411.17191	0.3
482.15848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
50.02602	0.2
53.03938	0.3
55.01858	0.3
55.05504	0.3
56.05031	0.5
67.05491	0.3
68.99802	0.4
69.03423	0.6
69.44735	0.2
69.90765	0.9
70.06594	2.1
72.08163	2.0
79.05486	0.2
81.03400	0.5
81.07016	0.3
84.04482	0.9
84.08141	0.7
84.36909	0.2
85.02876	0.8
86.09712	3.1
87.10036	0.2
91.05477	0.3
95.04976	0.2
95.08588	0.4
99.00768	0.3
99.02621	0.2
102.05560	0.2
105.07024	0.3
109.02874	0.4
110.07152	0.5
112.01568	0.3
116.05296	0.5
119.08472	0.2
120.08118	1.6
121.02877	0.3
121.06474	0.3
127.00303	0.3
127.03933	0.3
129.10222	0.6
132.60127	0.2
134.03629	0.2
135.04413	0.6
136.07593	1.2
137.02344	2.1
140.01013	0.3
141.05418	0.3
147.04445	0.6
153.01810	0.7
164.07172	0.4
168.00549	6.7
169.01332	1.0
174.02098	0.2
176.04718	0.2
185.12936	0.3
186.01602	5.4
201.05493	0.3
229.04999	0.6
256.03510	0.2
257.04440	0.5
270.52243	0.2
271.05920	0.4
274.04706	0.9
281.16422	0.4
285.03995	0.4
299.17514	0.6
301.03293	0.3
302.04221	66.1
303.04959	10.6
317.06567	100.0
318.06909	1.6
335.20050	0.2
381.67487	0.2
479.08353	0.3
479.24066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	Quercetin 3-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
53.03935	0.3
53.95911	0.2
55.01852	0.5
55.46780	0.2
57.03405	0.5
61.02925	0.9
62.13951	0.2
65.03918	0.5
67.05502	0.2
68.99786	0.9
69.03439	2.4
70.06596	1.8
70.54240	0.2
70.81386	0.4
70.81720	0.4
72.08159	1.5
73.01138	0.3
73.02914	0.4
81.03432	1.3
81.07085	0.2
84.04528	0.9
84.08154	1.2
85.02913	5.8
86.09226	0.2
86.09715	2.7
92.02608	0.7
93.03452	1.0
95.04965	0.4
97.02899	1.8
98.06068	0.2
99.04448	0.4
102.05525	0.3
109.02887	1.2
110.07158	0.6
111.00829	1.0
111.04408	0.3
116.05361	0.4
120.08129	1.9
121.02875	2.1
121.06484	0.2
123.04427	0.3
127.03932	1.0
129.10225	0.6
130.05011	0.3
131.04884	0.3
135.04404	0.3
136.07524	0.2
137.02356	4.2
139.03896	0.5
143.11742	0.2
145.04953	0.9
145.06421	0.2
149.02280	0.4
151.03896	0.8
153.01839	10.2
155.04910	0.5
155.06055	0.2
161.06012	0.5
163.03920	1.0
165.01845	2.8
166.02687	0.5
169.94766	0.2
171.02983	0.2
173.05997	0.7
177.01808	0.2
177.05534	0.5
177.16356	0.2
183.02872	1.2
183.04416	0.5
187.03883	0.5
195.02908	0.3
201.05513	3.2
203.03380	0.4
205.04956	0.2
217.04987	0.7
218.05632	0.2
219.02951	0.3
219.06436	0.4
228.04129	1.4
229.04970	8.1
230.05386	0.3
231.02837	0.4
237.45755	0.2
239.03375	0.3
241.17615	0.2
245.04462	0.9
246.05254	1.1
247.06058	0.7
256.03583	0.3
257.04468	5.7
258.04901	0.2
260.03232	0.3
273.04010	1.1
274.04770	3.6
275.05212	0.3
284.03137	0.5
285.03967	4.6
286.04590	0.4
302.04242	7.8
303.05014	100.0
304.05374	2.1
317.06580	56.3
318.06970	1.5
329.06625	0.3
337.44620	0.2
359.07416	0.3
479.08167	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	479.0824
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
52.46191	0.2
65.03933	0.2
67.61095	0.2
68.99791	0.9
70.06573	0.2
70.14423	0.5
91.25911	0.2
92.84748	0.2
93.03387	0.3
95.04968	0.3
109.02915	0.5
111.00813	1.1
111.01474	0.2
121.02874	1.3
123.04414	0.5
135.04427	0.4
137.02345	4.3
145.06532	0.2
149.02312	0.2
153.01836	5.7
155.04939	0.5
158.80003	0.2
161.05992	0.5
163.03946	0.9
165.01863	3.1
166.02516	0.4
173.06012	0.7
177.05508	0.2
183.02910	0.9
183.04379	0.4
187.03893	0.4
191.03377	0.2
191.45647	0.2
195.03047	0.3
201.05502	2.2
208.71057	0.2
219.06599	0.4
229.04990	6.0
239.03476	0.4
247.06030	0.7
257.04486	3.6
274.04782	0.9
275.05341	0.3
276.58899	0.2
285.03940	1.6
303.05014	100.0
304.05313	2.6
428.93842	0.2
474.92172	0.2
479.08304	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	479.0825
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
53.03938	0.2
55.01863	0.4
57.03433	0.3
58.24746	0.2
61.02914	0.4
65.03922	0.3
67.05494	0.3
68.99786	0.9
69.03437	1.4
69.07056	0.4
69.85909	1.1
70.06609	1.6
71.04967	0.2
72.08157	1.0
73.02911	0.3
74.06061	0.2
74.18157	0.2
81.03397	0.8
83.63868	0.2
84.04491	0.5
84.08137	0.7
85.02427	0.3
85.02905	3.1
86.09709	2.5
87.20463	0.2
91.03907	0.2
92.02607	0.2
93.03403	0.7
95.04965	0.3
97.02903	1.2
99.04462	0.3
102.05518	0.2
109.02893	1.0
110.07161	0.4
110.85509	0.2
111.00821	1.3
120.08114	1.4
120.94370	0.2
121.02890	1.6
123.04392	0.5
127.02991	0.2
127.03906	0.8
129.10263	0.4
135.04427	0.3
136.07559	0.2
137.02353	4.2
145.04941	0.5
149.02359	0.6
151.03894	0.3
153.01836	8.4
155.04929	0.5
158.06578	0.2
161.06000	0.4
162.42230	0.2
163.03923	1.1
165.01851	2.9
166.02618	0.3
173.05972	0.7
173.09282	0.2
177.16360	0.2
183.02879	1.5
183.04381	0.4
187.03938	0.4
191.03288	0.3
191.11850	0.3
195.02887	0.4
201.05441	2.7
205.04924	0.2
217.04962	0.4
219.06406	0.3
228.04172	0.7
229.04984	6.8
239.03484	0.4
245.04530	0.5
246.05287	0.8
247.06039	1.1
257.04459	4.0
260.03146	0.2
273.04004	0.6
274.04773	2.3
285.03946	3.4
302.04279	4.3
303.05008	100.0
304.05304	2.2
317.06580	32.1
318.06943	0.6
374.09665	0.2
401.23129	0.2
479.08136	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	479.0825
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
51.77002	0.1
56.05019	0.2
65.03941	0.3
68.99793	0.7
69.07044	0.1
70.06595	0.6
70.68341	0.2
70.68684	0.2
72.08144	0.3
76.21019	0.1
81.03405	0.3
84.04506	0.3
84.08136	0.3
85.02890	0.2
86.09709	0.7
93.03384	0.4
95.04939	0.4
100.09053	0.1
104.05329	0.2
105.14201	0.1
109.02861	0.5
110.03587	0.1
111.00809	1.1
120.08128	0.1
121.02890	1.2
123.04418	0.4
127.03902	0.4
129.10164	0.2
130.17236	0.1
131.04919	0.2
135.04384	0.2
136.07553	0.1
137.02347	4.4
143.04906	0.1
145.02795	0.2
145.06439	0.3
149.02359	0.6
153.01833	4.7
155.04932	0.4
157.06519	0.1
159.04401	0.2
161.06003	0.4
163.03934	0.6
165.01854	2.8
166.02585	0.2
173.05977	0.5
177.05533	0.1
179.03467	0.2
183.02859	1.0
183.04410	0.4
187.03893	0.4
191.03442	0.3
191.06960	0.1
195.02917	0.2
201.05489	2.4
205.04849	0.2
211.03935	0.1
213.05397	0.2
217.05096	0.2
219.02902	0.2
219.06482	0.4
228.04184	0.3
229.04979	5.9
232.03780	0.1
233.04532	0.1
239.03522	0.2
247.05981	0.8
257.04471	3.5
274.04749	1.0
275.05450	0.2
285.03973	1.8
286.04660	0.1
302.04272	0.4
303.05002	100.0
304.05383	2.1
314.40369	0.1
317.06577	2.5
473.98331	0.1
479.08215	3.5
479.19345	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	479.0823
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
53.90600	0.1
59.66658	0.1
65.03926	0.2
68.99789	0.8
70.11993	0.4
81.03403	0.2
85.02912	0.2
93.03403	0.3
95.04953	0.4
109.02901	0.7
109.51343	0.1
111.00811	0.9
117.06992	0.2
121.02872	1.2
123.04434	0.4
127.03948	0.3
128.59128	0.1
129.71878	0.1
135.04367	0.2
137.02345	3.8
137.03410	0.3
149.02338	0.6
153.01834	4.8
155.04924	0.4
161.05994	0.4
163.03935	0.6
165.01863	2.7
166.02594	0.4
168.57314	0.1
173.05962	0.5
177.01917	0.1
179.03371	0.2
183.02896	0.8
183.04301	0.3
187.03908	0.4
191.03331	0.1
195.02888	0.3
201.05479	2.1
205.04951	0.2
207.02901	0.3
211.04024	0.2
212.96230	0.1
213.05513	0.2
215.03401	0.2
219.06538	0.3
228.04163	0.2
229.04982	5.3
233.04556	0.2
245.04390	0.1
247.06064	1.0
257.04471	3.2
274.04745	1.0
275.05624	0.2
285.03967	1.5
302.04102	0.1
303.05005	100.0
304.05392	2.1
310.95090	0.1
317.06778	0.2
479.08200	3.1
480.08597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01850	1.1
55.05513	2.8
56.05014	1.7
57.03447	2.7
57.07092	2.6
60.04531	17.8
61.02932	3.4
67.05510	2.9
68.05011	2.0
69.03438	11.4
69.07079	3.3
70.06567	1.4
71.05006	2.9
71.08604	1.8
71.16105	1.0
71.16460	0.6
72.04506	1.4
73.02894	2.0
74.06055	0.8
79.05473	1.2
80.04993	0.6
81.03426	3.9
81.07073	3.4
83.01318	0.5
83.08633	2.4
84.04482	0.5
84.08122	0.6
85.02914	17.2
85.10139	0.5
86.09680	0.7
87.04445	1.8
90.05539	1.0
91.03943	0.5
92.86572	0.5
93.07020	0.6
94.06595	2.9
95.08634	3.8
97.02400	0.5
97.02901	7.4
97.10129	1.2
98.06017	1.6
99.04454	0.9
101.02399	0.6
109.02836	1.7
109.10133	1.6
112.07587	0.5
113.04214	1.2
124.16793	0.5
127.03933	3.3
145.04942	1.9
177.42906	0.4
212.23737	1.7
224.23683	1.2
226.25266	0.6
238.25349	1.0
242.24805	21.4
250.25385	5.8
252.26874	1.0
254.24892	0.5
262.25320	2.4
268.26230	0.5
280.26364	9.9
298.27426	13.5
303.05139	0.6
316.28488	100.0
317.28720	1.1
358.29489	1.3
442.31854	0.8
460.32581	1.8
478.33795	42.9
479.34351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.18887	2.0
55.05507	9.6
57.03440	3.9
62.06095	30.0
67.05512	29.1
69.07076	14.9
69.73224	12.0
71.07980	1.9
79.05499	6.4
81.07059	25.8
83.08620	6.4
91.05473	3.3
93.07042	8.3
95.08629	16.1
97.06506	2.2
97.10166	2.1
98.21448	3.6
98.98474	7.6
99.29117	1.8
107.08585	3.7
109.10155	5.3
113.36965	2.2
121.10136	2.7
123.11706	4.4
133.10110	4.1
155.01054	4.8
163.14828	2.4
216.06303	3.6
263.23718	6.1
288.73706	2.4
306.27994	15.2
308.43726	2.1
337.27368	100.0
338.27692	4.6
417.23837	2.2
460.28183	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	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.01852	0.2
53.03944	0.6
55.01863	0.6
55.05515	12.1
57.03443	7.6
57.07078	2.0
65.03936	1.0
66.04709	0.2
67.05508	26.5
69.03454	0.2
69.07072	15.9
69.24854	1.4
69.25264	0.3
71.04993	0.9
71.08635	0.7
73.06575	0.2
79.05499	7.1
79.05970	0.4
80.05872	0.2
81.07060	27.3
82.07365	0.2
83.04994	1.1
83.08624	7.7
84.21886	0.2
85.06546	0.7
85.10198	0.3
87.54118	0.2
91.05484	3.9
93.07047	7.1
95.04967	0.7
95.08611	20.1
97.06509	1.7
97.10175	3.7
98.06079	0.4
98.98486	0.7
99.08096	0.6
105.07037	3.3
107.08604	4.3
108.53133	0.2
109.06544	0.2
109.10158	6.6
111.08078	0.8
111.11708	0.7
118.56286	0.2
119.08587	2.7
121.10155	2.7
123.08104	0.4
123.11708	2.7
124.01625	0.7
125.09653	0.5
125.67165	0.2
131.08571	0.3
133.10149	2.7
135.11700	2.0
137.09653	0.2
137.13225	1.0
139.11194	0.3
147.11671	1.3
149.13235	0.9
151.11185	0.4
151.14894	0.3
154.94026	0.2
161.13252	1.0
163.14824	0.7
165.12750	0.2
175.14824	0.8
177.16382	0.2
198.05298	0.3
216.06398	0.5
222.80174	0.2
230.68633	0.2
245.22708	0.6
263.23721	1.2
272.72183	0.2
306.24597	0.4
306.27939	3.2
337.27371	100.0
338.27731	2.8
374.24203	0.2
450.63477	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.3
58.99578	6.8
61.01161	36.1
62.06080	7.6
67.05492	21.5
69.03436	4.7
69.07062	14.7
69.58999	22.7
70.06607	6.7
73.01154	30.5
74.01939	7.3
79.05506	26.3
79.27782	4.8
80.34864	4.2
81.07081	23.5
83.08655	6.6
87.02718	5.4
91.05459	10.8
93.07040	11.4
95.08619	11.0
97.06503	5.4
101.04250	9.3
104.98328	100.0
105.07034	10.5
107.08612	7.5
107.60351	4.7
112.03446	6.9
113.04251	77.6
117.06986	6.9
119.08588	9.5
121.10137	6.4
124.25544	5.0
131.08598	6.8
145.01418	28.5
147.02983	68.3
147.11641	7.3
151.86880	5.4
155.02249	5.0
165.04063	42.9
169.04263	6.2
179.00270	5.1
194.99609	5.2
197.21872	4.7
235.80350	4.9
249.49536	6.5
252.04185	4.6
266.73868	4.7
300.98486	4.7
326.56769	4.7
335.25812	7.8
336.26120	18.7
459.27136	7.0
477.28488	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	477.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	4.6
61.01159	30.6
69.90821	10.0
70.99584	2.3
73.01146	30.0
74.01920	7.5
79.05492	3.3
81.07088	3.2
83.08623	4.6
87.02698	3.9
101.04258	7.2
104.98324	100.0
108.56382	2.4
113.04238	12.1
129.03864	2.2
141.38274	1.9
145.01447	4.1
147.02983	52.9
165.04054	45.8
261.21783	2.2
345.43054	2.1
380.88510	2.1
494.34344	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	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38861	1.0
53.03941	1.9
55.05517	11.6
57.03447	4.5
57.07079	1.5
57.51073	0.9
62.06095	33.3
65.03941	1.3
67.05511	30.1
69.07082	9.6
70.68594	2.8
71.04993	1.5
76.43225	0.9
79.05502	21.3
79.05959	1.1
81.07067	29.4
83.04998	1.2
83.08638	2.9
91.05489	12.3
93.07056	22.4
95.04975	2.0
95.08620	20.3
97.06519	1.9
97.10185	1.7
98.06046	2.0
98.98465	9.6
105.07031	6.8
105.99178	1.0
107.08608	10.0
109.06442	0.9
109.10145	6.3
117.07007	2.2
119.08593	6.1
121.10152	8.1
123.08019	1.3
123.11732	2.1
124.01659	2.1
131.08585	2.6
133.10152	4.5
135.11749	4.9
142.02669	1.8
145.10146	3.8
147.11731	2.7
149.13255	2.7
155.01044	3.0
159.11700	1.3
161.13307	1.9
163.14893	1.3
173.02106	2.0
173.13309	2.4
175.14859	1.6
198.05197	1.6
216.06348	4.6
243.21021	1.8
261.22125	6.4
304.26401	19.4
317.24710	1.5
335.25824	100.0
336.26065	1.7
458.26712	4.8
476.27621	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	476.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.05515	3.7
56.03822	0.6
56.05019	2.3
56.05264	0.6
57.03413	2.4
57.07062	1.1
60.04530	17.2
61.02932	3.1
65.21593	0.6
65.47989	0.6
67.05511	4.1
68.05009	1.8
69.03437	11.8
69.07065	4.4
69.96918	2.6
70.06569	2.2
71.04961	2.3
72.04517	1.1
72.08116	0.8
73.01097	0.6
73.02885	1.9
73.37402	0.6
74.06054	0.9
74.84113	0.6
79.05477	1.8
80.05019	4.1
81.03425	4.2
81.07056	4.2
82.06571	3.8
83.08584	2.7
84.04480	1.2
84.08144	1.0
85.02911	18.8
86.06042	1.7
86.09681	0.9
87.04446	2.1
88.18845	0.5
90.05534	1.6
91.03926	0.8
91.05473	1.6
93.07020	2.5
94.06541	2.5
95.04951	0.6
95.08576	2.7
96.04483	0.8
96.08097	0.9
97.02385	0.6
97.02899	7.1
97.06519	0.9
97.10155	1.2
98.06053	3.4
99.04442	1.2
107.08579	1.3
109.02859	2.5
110.06069	2.9
112.07568	0.7
113.04253	1.2
114.05509	1.6
114.46149	0.6
116.07044	1.2
120.08096	0.9
121.10114	0.9
125.05944	0.8
127.03917	3.5
132.06563	7.7
135.11671	0.9
138.09155	0.7
145.04958	1.5
153.05408	0.9
154.05820	0.6
184.98381	0.7
210.22179	1.9
215.05560	1.9
216.05780	1.2
222.22176	3.8
240.23232	6.6
241.78743	0.5
248.23622	0.7
260.23856	1.7
266.24628	0.8
278.24814	4.6
296.25909	9.6
314.26907	100.0
315.27298	1.7
328.73672	0.7
330.51944	0.5
348.05316	0.8
356.28046	1.0
386.15640	0.6
399.58444	0.6
440.29962	0.7
458.31238	2.3
474.56885	0.6
476.32233	56.2
477.32657	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01880	0.5
55.05520	5.8
57.03442	7.2
57.07066	1.6
59.08316	0.5
60.04526	0.8
60.67561	0.6
65.03923	1.1
67.05511	34.3
69.07069	5.9
70.06589	1.5
70.80537	1.3
70.88071	0.5
71.04993	1.1
79.05061	1.1
79.05498	15.4
80.81640	0.5
81.07062	27.7
83.08616	2.3
85.02907	1.1
91.05486	8.6
93.07053	19.8
95.04948	2.0
95.08615	19.3
97.06560	0.6
97.10174	1.5
105.07033	5.1
107.08595	8.1
109.06487	1.1
109.10166	5.9
111.11565	0.5
113.04247	1.0
117.07010	2.6
118.79218	0.6
119.08607	4.3
121.10131	6.3
123.11703	2.4
124.01574	0.6
131.08586	5.1
133.10129	3.0
135.11710	4.4
137.13234	1.4
145.01381	0.5
145.10115	2.6
147.11708	2.6
149.13258	2.8
159.11659	1.7
161.13286	1.1
163.14861	1.1
173.13275	1.7
175.14841	0.9
177.12784	0.9
177.16374	0.6
184.69852	0.5
187.14926	0.9
215.05614	0.7
238.81818	0.7
243.21164	2.7
261.22235	2.2
296.26035	0.6
304.26236	2.7
314.26843	3.2
317.24759	1.2
335.25812	100.0
336.26007	1.7
476.32370	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05272	0.6
55.05515	8.1
56.61435	0.3
57.03438	8.0
57.07056	0.6
62.06068	0.4
65.03922	1.1
67.05508	31.9
69.06722	0.6
69.07070	8.2
71.04967	0.7
79.05496	15.8
81.03436	0.4
81.07060	26.6
82.79909	0.4
83.04961	1.0
83.08620	2.6
85.06531	0.8
86.30190	0.3
91.05487	8.3
93.07051	18.6
95.04951	1.4
95.08611	20.1
97.06516	1.0
97.10167	1.1
98.06077	0.4
98.98469	0.5
105.07030	4.6
107.08598	7.3
109.06524	0.6
109.10159	7.5
111.08109	0.3
117.07026	1.6
117.13026	0.4
119.08594	3.1
121.10146	6.4
123.08079	0.5
123.11718	1.8
124.01638	0.5
131.08571	2.4
133.10109	2.2
135.11708	3.3
137.13229	0.4
145.10106	1.1
147.11670	1.7
149.13272	0.9
159.11691	0.6
161.13252	1.3
163.14816	0.4
173.13269	0.9
175.14774	0.4
187.14833	0.5
198.05237	0.5
216.06302	0.9
243.21327	0.3
261.22144	1.3
304.26254	2.0
323.73822	0.4
335.25806	100.0
336.26123	2.3
419.73526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.8
57.07067	2.3
67.05508	7.1
69.07060	5.5
70.06606	9.3
71.04990	1.1
71.06926	1.7
71.55665	1.5
72.08147	3.2
79.05486	2.6
81.07059	5.2
83.08607	1.4
84.04514	2.4
84.08131	3.3
85.02918	1.3
85.06534	1.7
86.09701	4.9
89.02508	1.0
91.05495	5.9
92.34165	1.2
93.07028	6.3
94.84161	1.1
95.08614	20.3
99.04460	3.1
105.07037	12.5
107.08594	5.3
109.10161	21.4
117.06982	1.3
119.08586	44.0
120.08135	2.1
121.10136	2.7
123.08108	1.8
129.10231	3.0
131.08510	2.1
133.10136	50.6
135.11716	9.7
137.09622	9.0
139.03905	1.9
139.77338	1.2
145.10104	3.4
147.11662	12.2
149.13297	3.3
151.14812	4.1
157.27087	1.3
160.12460	2.2
174.07541	1.3
175.14835	100.0
176.15178	2.6
193.15881	30.8
193.17622	1.5
209.75769	1.2
239.69055	1.4
270.28180	1.5
301.07074	3.3
328.03595	1.3
444.85010	1.8
466.34772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97923	0.4
54.03471	1.0
56.05027	0.7
58.06596	1.4
59.07377	0.9
60.07880	1.0
60.08165	16.4
66.01709	0.5
67.04249	6.8
69.03439	3.6
69.07064	1.2
69.76962	2.6
70.06572	0.5
72.08146	1.1
74.06077	1.5
75.63318	0.5
82.05336	0.9
83.06117	1.9
84.04501	3.3
84.08124	1.6
85.02911	4.7
86.09708	9.9
88.03999	0.6
92.25004	0.5
94.05333	0.5
94.23357	0.6
95.01344	7.8
95.04955	0.5
97.06498	1.0
98.00586	0.5
98.21405	0.7
99.01420	2.6
100.02187	1.2
101.01698	0.7
101.07137	1.0
102.05544	0.8
109.03999	1.0
110.04758	0.8
113.06000	0.5
113.10728	0.7
125.01711	27.1
125.06012	5.6
126.02489	40.2
127.03215	0.7
129.10194	0.8
135.25073	0.5
141.01236	0.6
142.01962	0.7
143.07086	0.9
147.04434	0.7
148.06017	0.5
153.05475	4.7
153.06624	0.7
154.09796	0.9
155.08076	0.5
157.06645	0.8
157.99689	33.0
159.00468	52.4
174.99974	1.9
181.06117	1.9
184.09096	3.5
185.09834	11.4
198.08766	1.7
202.99565	0.8
215.05544	1.4
217.07031	55.7
218.07820	7.2
226.08235	1.5
227.06660	0.8
233.15028	0.7
244.09346	2.2
248.61670	0.4
294.14584	0.6
308.04129	0.5
312.15439	0.5
346.66263	0.6
357.17691	0.6
373.05222	15.4
394.69250	0.6
432.12610	100.0
433.12903	2.5
458.22516	1.7
476.11609	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	476.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05510	2.0
55.81475	1.4
56.05035	1.4
57.03436	1.3
59.16552	1.2
64.44769	1.2
67.05503	3.3
69.03424	5.7
69.07076	7.4
70.06602	12.4
71.56099	2.1
72.08153	6.1
73.01143	3.9
79.05482	3.7
81.03415	1.9
81.07064	5.1
83.05047	1.3
83.08615	1.3
84.08142	8.1
85.02896	11.8
86.09698	15.3
87.00844	2.2
87.04488	1.6
87.10030	3.1
91.05482	3.8
93.07060	2.5
95.01318	5.7
95.04934	1.8
95.08611	5.1
97.02895	3.2
99.04456	2.7
104.98335	3.2
105.01862	2.1
105.07042	7.7
107.08581	3.5
109.02878	2.1
109.10155	5.4
110.07174	3.3
113.06041	2.1
116.07127	2.1
118.69534	1.3
119.08595	29.4
120.08084	2.8
122.06043	3.5
125.05979	6.7
127.03911	4.9
129.10252	3.2
133.10135	26.3
134.06000	2.0
135.11739	2.1
137.09596	3.1
139.03879	6.8
140.04257	3.1
145.03177	2.8
145.04993	2.6
147.11684	4.1
151.14888	1.3
153.05461	5.4
162.05818	6.7
164.05377	1.5
175.14836	100.0
176.15085	1.8
180.06422	1.5
193.15938	6.1
195.08928	2.0
210.12076	2.1
215.05530	9.2
228.13197	1.8
355.16513	1.5
476.20029	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	12.4
56.05049	9.4
58.06601	13.5
58.99596	5.1
63.95783	3.6
67.05507	8.6
69.07076	6.1
69.24677	33.6
70.06601	41.0
72.08162	15.7
73.01140	13.5
74.00676	7.1
74.02428	4.1
74.06078	11.1
76.02237	7.0
76.03994	11.3
81.88856	4.4
83.09776	3.7
84.04511	100.0
84.08141	23.1
86.09717	81.4
86.10278	5.2
86.10455	3.6
87.10033	9.1
87.84310	3.7
93.15570	3.8
98.06068	42.9
99.02675	28.7
99.05607	7.6
100.03455	8.3
100.04021	4.2
100.07626	7.1
101.07169	6.4
102.05541	5.9
110.07137	4.9
111.03214	4.2
112.03970	13.6
113.04282	4.6
116.01668	12.2
116.05328	73.2
116.07074	21.7
118.06902	8.5
118.40031	4.0
120.08108	17.7
124.07634	4.9
126.05543	54.8
127.08667	9.7
128.02940	14.8
129.04236	9.6
129.10265	11.9
130.05008	58.5
130.08655	6.4
142.08749	4.4
145.06090	13.3
146.06873	21.3
147.07581	9.7
156.06573	18.4
165.10255	5.5
169.22484	3.7
170.08134	10.1
173.09224	70.8
174.09731	5.0
177.03331	5.9
182.06699	6.5
187.14478	17.3
196.79416	3.9
199.07176	10.0
201.08733	32.6
201.12384	6.1
202.05399	39.4
203.06039	4.4
206.08940	5.1
208.11436	3.9
210.01265	6.1
215.13930	16.2
219.07983	80.0
247.11183	13.6
257.10107	5.8
261.14502	11.3
273.09033	5.3
274.10391	15.5
275.11084	62.0
276.13586	5.0
284.03198	25.0
306.07587	10.6
307.10007	12.8
330.11594	4.5
338.04178	4.1
339.05621	15.6
348.12323	50.4
349.13013	16.4
413.07486	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50317	1.2
50.99125	1.4
54.01214	1.4
55.01867	5.0
55.05507	3.0
56.05024	6.2
57.03415	1.5
58.06585	4.8
59.88999	1.5
60.04509	3.6
68.05013	3.9
69.03419	1.6
69.07058	5.8
70.06595	21.5
71.55199	1.7
72.08160	22.7
73.00777	2.2
73.01147	28.8
73.08479	1.4
74.00655	3.4
74.06080	9.2
76.02232	2.0
76.03988	6.5
80.08850	1.3
80.40310	1.3
81.03400	1.6
84.04509	100.0
84.08150	15.4
84.16831	1.2
85.02907	3.7
85.04033	30.6
85.04848	2.6
86.06042	2.6
86.09708	70.2
87.05570	2.4
87.10030	3.6
88.03962	1.6
88.95184	3.2
91.05479	2.3
96.08126	22.9
98.06044	3.4
98.09680	1.8
99.05566	4.9
100.94580	1.4
101.07143	2.4
102.05537	7.2
102.96774	3.0
103.97542	12.9
105.97844	96.5
106.98618	8.7
107.06062	1.5
107.99426	2.5
110.07153	4.3
112.03960	5.0
113.03497	10.9
115.08680	1.5
116.01736	1.9
116.05338	2.9
116.07094	10.0
120.08113	2.9
124.07593	16.7
126.05516	2.7
126.09170	2.2
127.05035	3.2
129.06581	1.5
129.10248	8.2
130.05017	33.6
131.04527	62.8
136.95477	27.7
139.96614	6.4
142.08638	12.5
143.04507	4.4
143.11818	1.9
144.06596	2.4
145.06071	10.7
148.06047	2.3
153.06567	2.9
154.04935	1.5
155.08145	3.6
156.06480	1.7
161.09164	2.1
162.02248	2.0
162.97087	3.4
170.08131	69.6
171.07683	2.1
171.11407	1.4
173.09262	2.7
173.12842	6.7
177.03296	8.0
179.99731	13.3
181.06094	2.0
183.11320	1.5
185.09230	2.1
185.16399	1.6
187.10851	3.7
189.08739	2.2
199.07199	7.1
201.12341	5.7
205.97775	3.0
209.00490	31.6
210.01230	8.8
213.12352	8.8
215.13910	2.0
227.17705	2.3
229.11766	1.8
231.04408	3.0
231.09850	2.6
242.99269	19.2
243.04384	3.1
249.10927	2.5
254.14815	1.9
257.07690	1.8
258.14478	2.2
262.14444	1.3
263.01572	6.3
264.02350	3.0
265.99728	5.1
283.02411	82.7
284.16101	5.3
302.16983	2.6
309.03876	2.5
337.03467	16.6
338.04669	3.5
339.05594	13.7
347.02368	1.6
355.00882	2.8
376.85638	1.4
401.03342	1.5
412.06668	39.2
429.68979	1.7
476.26459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02994	3.1
51.33276	3.5
55.01875	7.4
56.05030	7.4
58.06592	13.7
58.99577	4.2
61.63123	3.1
67.05492	8.2
69.91411	17.4
70.06592	25.0
72.08153	11.5
73.01133	13.6
73.05287	11.8
74.00666	4.4
74.02423	4.7
74.06084	4.2
76.02206	10.8
76.03996	10.3
83.27702	3.1
84.04508	92.9
84.08157	15.6
85.02905	5.9
86.09703	33.5
87.10033	5.7
87.76274	3.0
98.06063	42.5
99.02676	26.7
99.05575	4.6
100.02238	3.8
100.03461	8.2
100.07603	8.9
101.04214	3.6
102.00155	3.3
102.05547	7.3
103.06265	3.6
112.03975	12.7
116.01703	5.1
116.05323	70.8
116.07090	20.0
118.06853	9.0
120.08080	8.2
124.07598	3.2
126.05527	48.2
127.08727	3.6
128.02904	13.1
129.04251	6.7
129.10231	5.8
130.03172	4.0
130.05011	50.2
145.06105	11.5
146.06879	14.5
147.04391	3.5
147.07646	9.5
156.06560	17.7
158.02641	4.0
162.02290	3.9
170.08127	12.5
173.09222	63.9
177.03328	4.6
179.04909	3.9
182.06767	4.9
187.14389	8.2
199.07117	5.3
201.08719	28.5
202.05373	37.3
206.09029	4.5
211.06958	3.3
212.07892	3.8
215.13931	3.7
215.29475	3.4
219.07983	79.6
227.14293	3.4
232.05296	4.9
237.98239	3.5
247.11113	17.0
257.10046	5.8
261.14349	4.3
273.09183	4.1
274.10291	15.0
275.11090	57.2
275.94482	4.2
284.03152	24.8
290.09933	3.8
306.07571	6.3
307.10239	10.5
338.04288	4.1
339.05487	16.9
348.12256	47.6
349.12933	13.5
368.96835	3.6
413.07452	100.0
494.34100	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	476.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.1
55.05508	1.7
56.05027	5.9
58.06590	5.0
60.04519	3.5
61.01133	3.8
67.05499	2.2
68.05030	3.8
69.03432	1.5
69.07069	3.6
69.99278	6.4
70.02936	2.2
70.06247	2.0
70.06595	27.7
70.67715	1.3
71.06924	2.1
72.08160	13.2
73.01147	11.7
74.00668	24.3
74.06073	5.5
76.04002	17.0
79.05494	1.7
83.06087	4.8
83.07367	3.1
84.04507	58.3
84.08145	22.8
85.02911	2.9
85.04032	27.6
86.09708	58.2
87.10017	7.1
88.03996	3.1
91.05498	2.0
91.51083	1.2
92.01712	11.3
92.79961	1.4
96.08122	9.9
96.31938	1.4
99.05559	2.7
101.07121	2.8
102.05530	5.2
104.98333	10.1
105.97855	3.1
106.98635	2.1
107.99377	6.4
110.06026	2.5
110.07177	7.3
112.03974	12.9
113.03480	9.5
113.04240	3.4
114.03740	2.3
115.08620	1.8
115.61062	1.4
116.07082	8.8
118.76865	1.5
120.08109	7.3
124.07584	6.1
127.08633	1.5
129.06619	4.3
129.10248	9.1
130.05009	75.0
130.99907	1.4
131.00830	1.4
131.03587	2.2
131.04526	26.6
131.05348	1.0
132.10161	1.6
132.20280	1.3
136.07547	1.9
136.95485	19.0
141.06610	1.5
141.10170	1.7
142.08603	6.0
145.06108	4.2
147.04401	1.7
147.07661	1.9
148.02504	8.7
149.03824	6.9
149.04855	1.4
153.06584	2.5
155.08168	2.3
155.11749	1.5
159.09123	1.8
160.00642	5.4
170.08139	22.5
173.09305	2.3
173.12816	2.2
174.00475	3.3
177.03300	100.0
179.99731	5.7
181.06119	7.5
185.03835	11.4
187.14401	4.4
188.02045	1.8
201.12369	7.9
201.99878	3.2
202.12675	2.4
207.99229	2.8
209.00536	3.2
210.01352	3.3
211.02046	5.3
213.12311	2.8
215.13896	4.3
229.11803	4.4
230.12122	1.8
231.04364	39.0
233.14861	2.9
243.13490	1.6
247.12906	1.8
249.03639	82.6
251.05206	27.4
261.14417	3.1
283.02402	23.4
288.06525	5.2
305.06158	2.6
306.07620	11.5
306.72879	1.3
314.07452	1.6
323.03592	1.4
323.07358	1.5
337.03329	3.7
339.05576	5.1
347.02170	3.3
380.09485	6.3
395.04156	1.4
412.06738	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	7.3
55.98055	3.5
56.05025	4.1
58.06602	19.4
58.99593	5.5
67.05505	10.0
69.07057	9.3
70.06596	37.2
71.35586	4.7
72.08166	32.4
73.01139	6.7
73.05302	9.6
74.06083	11.2
76.02216	5.1
76.04005	11.2
82.06550	4.5
84.04510	100.0
84.08162	19.1
86.09715	94.8
87.10043	11.0
89.06048	27.2
96.08131	5.6
98.06074	49.0
99.02680	29.2
99.05593	11.1
100.02192	6.9
100.03465	7.3
100.07630	9.0
101.04211	4.6
101.07135	5.6
102.00186	5.1
102.05550	6.9
110.06007	4.3
110.07176	9.0
112.04009	20.6
113.24962	4.1
115.92699	4.0
116.01677	6.8
116.05328	64.7
116.07103	28.8
118.06921	11.0
120.08105	7.0
126.05531	62.9
127.08781	5.2
128.02921	10.9
128.05818	7.1
129.04300	7.9
129.10214	9.4
130.03296	4.8
130.05019	54.2
133.08624	19.0
141.06464	4.6
143.11874	4.7
144.06598	5.5
145.06111	17.9
146.06866	14.1
147.07663	10.5
155.08163	4.8
156.06570	16.1
158.02618	4.4
160.00667	4.8
162.07645	7.1
170.08229	10.7
173.09225	73.0
174.10098	4.5
177.03209	7.0
177.11334	6.0
182.06725	6.4
187.14461	16.1
199.07164	9.6
200.07921	6.0
201.08711	31.6
202.05403	36.0
206.09003	7.1
210.01228	6.8
215.13976	15.1
216.14293	5.5
219.08023	83.2
247.11058	10.5
261.14450	7.6
274.10364	14.5
275.11115	54.4
284.03232	31.1
290.09705	4.8
306.07379	9.1
307.10049	14.2
338.04257	6.6
339.05554	15.5
348.12271	58.8
349.13071	15.1
381.12271	6.5
413.07462	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13564	2.0
55.01874	2.6
57.03431	3.3
59.94071	2.0
61.01154	4.8
67.05534	2.7
67.62479	2.3
69.03427	20.2
69.07077	4.0
70.06591	11.1
71.56010	2.5
73.01144	11.6
79.05499	5.8
79.40829	2.0
84.08134	4.2
85.02910	27.3
86.09726	4.9
89.00616	6.2
91.05498	2.6
93.71096	2.4
95.01328	49.0
95.04967	10.9
96.92408	5.0
97.06555	7.2
99.04475	2.3
103.03957	3.1
104.98305	10.7
107.00930	5.2
107.01659	100.0
110.46935	2.7
113.02369	2.4
113.04257	5.6
113.06013	4.5
113.92818	2.2
123.04469	4.7
125.06000	39.3
127.03935	3.9
131.05287	2.1
136.75873	2.7
136.95512	4.5
137.06027	2.3
138.97075	4.9
143.07077	7.9
145.01366	2.4
151.03899	3.7
153.05486	44.7
153.06715	2.3
180.99588	2.4
182.00093	2.6
185.65631	2.5
190.86563	2.3
191.07072	13.2
197.04492	14.5
215.05502	68.9
239.09135	3.1
255.08755	6.5
277.50366	2.6
286.98669	6.2
335.00714	3.5
341.85883	3.0
352.29819	2.3
353.01733	4.8
353.07690	2.2
372.17935	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	476.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.9
55.05511	5.9
56.05030	8.4
57.02203	3.4
58.06599	13.1
58.99590	8.9
60.04521	4.8
67.05504	8.1
69.07079	6.4
70.06597	33.0
71.54867	4.9
72.07796	4.7
72.08161	51.6
73.01145	13.1
73.05296	7.7
73.08517	3.3
74.00673	10.6
74.02434	3.2
74.06058	4.8
75.01492	2.9
76.02219	14.2
76.04025	8.6
80.51247	2.8
82.06612	3.3
84.04509	95.8
84.05017	4.8
84.08160	18.4
85.02889	3.3
86.09713	61.1
86.99078	5.8
87.10046	3.7
88.02231	3.7
88.04031	4.0
91.05479	3.3
98.06063	43.0
99.02681	32.0
99.05592	7.0
100.02200	3.2
100.03465	7.3
100.07617	10.5
102.05560	11.7
103.06339	3.0
110.05927	2.5
110.07182	6.7
112.03983	16.3
113.04213	5.5
113.89551	2.8
114.03755	11.0
116.01672	8.9
116.05328	72.2
116.07071	20.9
118.06892	7.7
120.08105	11.9
120.97845	4.7
124.07589	3.9
126.05524	55.4
127.08713	5.6
128.02927	12.2
129.04236	9.9
129.10245	10.9
130.03320	4.0
130.05006	57.3
132.08058	2.9
134.54564	2.9
134.99542	2.9
136.07562	4.3
142.08707	3.3
144.06572	8.7
145.06108	15.9
146.06926	22.3
147.07671	11.3
156.06544	19.7
158.02747	4.1
159.09204	8.1
160.00691	3.8
160.04121	4.0
162.02284	7.0
162.07620	15.9
170.08142	10.7
171.07741	4.8
173.09227	66.7
173.12894	9.9
175.14926	4.0
177.03342	9.5
179.04866	4.1
181.06099	3.6
182.06592	5.6
197.12892	8.2
198.13310	3.8
199.07217	9.0
201.08727	38.0
202.05368	42.0
206.09035	4.9
210.01343	5.9
212.08035	4.4
215.10318	3.2
215.13925	7.8
219.08002	94.4
232.05023	4.0
243.13496	3.6
247.11116	13.2
257.10153	9.9
261.14453	15.3
262.14960	3.4
273.09042	6.8
274.10391	13.7
275.11115	63.7
284.03143	33.1
290.09787	3.3
296.19595	4.3
306.07553	9.6
307.10495	14.8
329.01166	3.1
338.04309	6.5
339.05392	16.7
348.12262	54.4
349.13068	13.9
413.01904	5.0
413.07431	100.0
414.07852	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	475.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01865	3.7
55.05525	8.5
57.03446	20.1
57.07082	46.8
57.80167	1.8
59.04965	1.7
61.02932	52.3
67.05511	19.4
69.03437	23.7
69.07075	13.3
69.81775	3.7
69.82192	6.6
71.01347	2.6
71.04987	3.3
71.08283	2.8
71.08639	34.3
73.02926	25.5
79.05495	5.6
80.18784	1.6
81.03422	15.5
81.07066	22.9
83.04984	4.1
83.08627	19.4
85.02431	2.8
85.02914	50.0
85.10178	17.7
86.33333	1.4
89.06022	1.6
91.03967	30.2
91.05490	2.9
93.07044	5.6
95.04971	1.8
95.08044	3.2
95.08612	32.0
97.02283	3.2
97.02901	51.2
97.10165	8.8
99.04462	10.0
101.02384	10.9
103.03980	8.3
103.07576	1.9
105.07024	4.3
107.08585	4.6
109.02880	10.3
109.06500	2.5
109.10162	16.6
111.11706	2.0
115.03918	2.5
117.05504	2.5
119.08581	3.0
121.10197	3.4
123.11692	6.3
125.13221	1.9
127.03918	24.5
129.05508	3.2
133.10107	2.4
137.13222	2.9
139.11194	4.3
145.04979	8.9
145.10130	2.1
147.04385	3.5
147.11639	2.0
159.06488	2.3
163.06129	1.9
174.06505	1.7
183.06552	4.6
201.07718	3.5
207.13750	1.7
239.23714	28.4
257.24765	3.4
313.27380	100.0
334.65012	1.6
341.26804	3.5
383.26093	2.0
457.31335	6.3
475.31961	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	475.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81534	0.4
53.03955	0.4
55.01880	0.6
55.05520	1.3
56.05040	4.4
58.06605	2.4
67.05517	1.0
69.03432	1.2
69.07069	9.6
69.73920	2.8
70.06588	6.8
71.04958	0.7
72.08155	4.8
73.04041	0.8
74.05663	0.6
74.06084	11.7
77.70222	0.5
79.05514	0.7
81.07061	0.4
83.06110	0.6
84.04507	6.6
84.08151	3.3
85.02908	1.5
86.09710	100.0
87.05589	0.6
87.10046	1.4
88.03971	1.5
89.06027	0.8
91.05488	0.9
93.07032	0.9
95.01336	1.0
95.04952	0.7
95.08620	0.9
97.06519	0.8
98.06055	0.8
99.02668	0.8
101.07147	10.7
102.05540	4.2
105.07063	0.6
107.08599	0.9
110.07172	1.5
113.04227	1.0
116.05295	0.9
116.07044	0.6
120.08120	1.6
121.10140	0.5
123.08015	0.5
124.11246	1.5
125.09628	0.7
126.05495	0.8
126.09197	0.5
127.03899	0.6
127.08730	0.5
129.06644	0.5
129.10236	1.7
130.05017	1.1
141.62135	0.6
142.12267	6.3
143.11809	3.7
144.06549	0.6
148.06058	5.9
149.09621	1.7
153.05481	0.6
157.13385	0.5
158.09425	0.5
162.07619	1.8
169.13338	0.8
173.09256	1.0
173.12953	0.8
187.14426	44.3
191.14326	0.8
197.12903	1.0
199.07280	0.5
201.08788	0.8
201.12390	1.2
209.15469	1.8
215.13922	27.0
219.07938	0.7
231.09795	0.7
245.60403	0.5
261.14471	30.8
275.16052	1.2
296.19714	0.9
311.76300	0.5
328.22214	3.2
347.02838	0.5
353.06403	0.5
413.07510	0.9
475.16611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05508	1.0
56.05037	3.6
58.06598	0.7
60.29182	0.5
61.01154	0.7
65.56845	0.5
68.05006	0.6
68.15168	0.6
69.03426	1.4
69.07066	1.7
70.06599	5.2
71.12405	0.9
72.08158	11.8
74.00661	2.2
74.06075	1.3
76.00240	0.7
83.06129	0.8
84.04507	47.9
84.08150	4.6
85.02908	2.6
85.04031	0.7
85.04849	2.2
86.09708	100.0
87.05583	0.5
87.10046	1.8
88.04006	0.9
95.04994	0.6
96.08125	2.1
101.07159	1.2
102.05540	26.8
104.05298	0.7
104.07104	9.8
106.97896	1.0
109.10093	0.6
109.98985	0.7
110.07183	1.1
112.03960	1.4
113.04311	0.6
116.07047	0.7
118.97629	0.5
120.08123	1.3
122.06042	1.9
124.07571	1.2
125.07963	0.8
129.06610	5.2
129.10219	2.6
130.04971	6.0
131.04517	0.6
131.05424	1.0
132.10208	1.3
136.07600	0.9
137.94432	0.6
140.07092	0.6
141.06636	0.6
142.08694	0.9
146.45346	0.5
148.02429	0.6
148.06068	0.6
150.02074	1.3
150.05533	1.0
152.10822	0.6
167.08151	7.7
168.06580	3.9
170.08107	4.3
171.08505	3.7
172.08754	0.6
173.09172	0.6
174.40042	0.5
177.03322	1.7
178.03523	0.6
179.14325	0.6
180.03297	0.8
181.06174	1.0
183.11378	0.6
185.09262	0.6
186.07715	1.3
187.14464	1.8
195.07706	5.9
197.12820	3.4
199.07172	1.2
201.08803	0.7
201.12383	0.9
203.10254	0.6
209.15445	0.5
213.01678	1.6
213.08727	4.8
213.12364	1.0
214.02029	0.6
214.12653	1.0
215.10326	0.9
215.13823	3.1
217.15479	22.4
225.12405	0.7
229.11858	0.8
231.09760	12.1
231.17162	0.6
233.14966	0.7
237.35309	0.5
241.08174	7.1
243.13487	2.2
245.07738	2.6
247.12982	0.8
251.05180	1.0
252.05571	0.9
253.04897	1.4
254.05162	1.8
259.09259	19.1
259.11902	1.1
261.14532	2.2
275.01865	0.6
275.16150	0.5
308.06287	0.9
308.16071	0.6
326.17163	2.9
337.07059	0.6
354.16617	5.2
355.08029	0.8
372.17740	2.5
381.09558	0.5
383.09283	2.4
385.09293	0.5
466.83112	0.5
475.23038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10425	3.2
52.81436	3.3
53.03952	3.5
55.05509	7.7
55.08160	2.7
57.03433	5.0
57.62165	2.6
59.04982	3.9
61.52857	2.8
67.05507	7.3
69.03422	13.8
69.07063	9.8
70.06576	9.3
70.59364	10.4
71.04988	6.1
72.08146	2.9
77.55656	3.2
79.05487	7.7
81.03405	8.9
81.07047	15.7
83.04977	7.2
83.08601	4.6
85.02908	24.1
85.06548	7.0
86.09729	18.7
87.00834	8.6
91.05492	6.3
93.07059	24.3
95.04922	3.9
95.08617	26.1
97.02893	10.2
97.06548	5.3
99.04447	11.0
99.08093	24.3
99.72772	3.1
105.01870	8.8
105.06997	14.5
107.04958	4.3
107.08604	40.5
109.02888	8.3
109.06496	6.6
109.10164	14.5
111.08088	4.0
119.08588	10.1
120.08060	3.5
121.06521	20.0
121.10149	33.4
123.08083	18.6
123.11680	4.8
125.09630	9.9
127.03902	13.8
131.08562	13.0
133.10143	19.9
135.08078	17.4
135.11633	5.5
137.09612	6.4
145.10117	6.7
147.11700	8.3
149.09637	73.4
149.13255	17.2
151.11212	24.0
153.09125	7.5
159.02907	3.7
161.13319	4.0
163.11223	3.5
163.13669	3.6
163.14813	23.2
164.99197	3.9
173.13283	23.9
180.21820	3.0
191.14328	85.3
209.15392	100.0
213.15999	4.5
227.16534	3.4
304.14420	3.1
475.26645	4.0
475.32547	24.7
482.89005	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	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01875	1.7
55.05508	1.4
57.03431	0.8
57.07092	0.7
61.02905	0.4
64.07043	0.3
67.05496	1.2
68.02653	6.1
69.03438	2.7
69.07071	3.3
70.06594	1.4
71.04964	0.6
71.08618	2.1
71.15480	0.7
72.08142	0.8
73.01163	0.4
73.02896	0.4
74.05804	0.3
79.05511	1.7
81.03429	2.7
81.07042	1.0
82.04230	0.4
83.04987	5.1
84.08133	0.7
84.87493	0.3
85.02901	3.8
85.06552	0.5
86.09695	1.1
87.00830	0.9
91.05476	1.0
93.07054	1.1
95.04965	1.1
97.02889	0.9
97.06535	3.2
99.04475	1.2
99.08091	1.0
99.93309	0.3
105.01903	0.3
105.07011	1.0
107.04945	0.4
107.08604	0.4
109.02885	1.4
109.06487	0.3
109.10201	0.5
111.04449	38.4
113.04229	0.8
113.06018	0.5
117.07065	0.3
119.08599	0.8
120.08040	0.3
121.06512	0.8
121.10164	0.8
123.08058	0.5
125.06000	7.2
127.03936	5.4
131.08597	0.9
133.10097	0.4
135.04376	0.3
135.08060	0.7
136.67926	0.3
137.05931	0.3
138.57434	0.3
139.03922	3.5
139.07526	0.4
140.04671	1.0
141.05467	1.4
142.99904	0.6
145.05000	0.4
149.06044	0.5
149.09631	0.7
151.07562	0.5
153.05478	15.8
157.04951	0.6
159.02907	0.5
163.11185	0.5
165.09132	1.1
166.06335	0.4
167.07074	2.7
181.12242	1.4
209.11752	22.2
227.12796	100.0
228.13101	1.2
313.25616	0.3
355.22485	0.4
356.00552	0.3
475.26056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83731	0.4
55.01874	0.9
55.05511	1.4
56.05030	0.7
57.03431	1.3
58.06583	0.5
58.99588	1.2
59.04981	0.6
61.01132	0.5
61.02923	0.7
65.44112	0.4
67.05505	1.1
69.03433	3.3
69.07064	2.6
70.02964	0.4
70.06249	0.7
70.06597	9.9
70.19379	0.9
70.19774	0.9
71.04993	1.6
71.06916	0.5
72.08157	2.4
73.01142	0.6
74.06071	1.7
76.02248	0.5
79.05492	1.3
81.03410	2.0
81.07069	2.4
82.06593	0.4
83.04973	1.0
83.08603	0.9
84.04501	4.1
84.08167	2.4
85.02912	6.1
85.04839	0.5
86.09212	0.6
86.09709	9.0
87.00840	2.8
87.10020	0.6
88.03989	0.4
91.05478	1.7
93.07040	2.7
95.01331	0.9
95.04971	4.6
95.08620	2.0
96.08106	0.6
97.02894	1.8
97.06559	4.1
99.02685	1.4
99.04444	2.7
99.08118	0.9
101.04263	1.1
103.05429	0.5
104.98318	1.6
105.01861	2.0
105.07040	2.1
107.08617	3.7
109.02882	2.1
109.06531	3.7
109.10167	1.7
110.07147	1.0
111.02671	0.6
111.08096	0.9
113.04259	1.7
116.05331	0.5
116.07108	0.6
117.07037	0.5
119.08583	2.0
120.08134	3.2
121.06547	0.7
121.08425	0.8
121.10146	3.9
123.08076	1.7
123.11739	0.8
124.07619	0.6
125.05953	0.8
125.09668	0.6
127.03925	3.2
127.08714	0.8
129.03722	2.0
129.10239	0.7
130.05058	0.6
131.08565	1.6
133.10127	6.7
135.08076	1.4
135.11700	0.6
137.06004	0.6
139.11145	2.3
141.01816	1.1
144.06596	0.7
145.05008	1.1
145.10124	0.7
147.04506	1.3
147.11711	2.6
149.09621	1.6
149.13263	1.1
151.07594	0.7
151.11201	1.1
153.09166	2.5
155.08154	0.8
159.02943	0.8
162.07622	0.9
163.11400	0.4
163.14822	0.9
165.12717	0.6
166.08647	1.2
170.08183	1.0
171.08473	0.7
173.13266	4.8
183.15067	0.5
187.02419	0.7
191.14342	7.7
201.12422	0.8
202.05342	0.7
209.15382	12.9
212.05939	0.5
219.07980	1.1
220.08298	0.6
227.16444	7.3
229.15541	2.4
230.15738	0.6
231.04895	0.4
241.88925	0.5
266.15909	0.5
267.13358	1.0
275.16043	0.9
286.17749	0.6
304.54166	0.4
305.06894	0.9
349.12711	0.4
351.12692	0.7
397.41086	0.4
457.31635	0.6
475.32584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19573	0.8
55.05513	1.2
57.03444	6.3
57.07078	8.0
58.06604	39.2
59.07386	10.7
60.08168	10.3
61.33252	0.9
67.05508	3.7
69.07054	2.0
69.51380	3.7
69.51805	3.5
71.08644	4.4
75.04482	3.6
79.05514	1.5
81.07062	2.6
83.08638	2.2
85.02901	2.1
85.10181	3.7
87.04481	4.3
93.07070	1.7
94.79626	0.9
95.08598	3.3
103.86581	0.9
105.07020	1.0
107.08669	0.9
109.10160	1.0
131.07051	1.8
144.10184	9.6
149.89645	1.0
162.11320	2.4
172.95230	1.0
218.13820	1.2
236.14940	86.1
313.27292	1.7
456.30505	1.5
456.36902	26.4
474.20245	2.3
474.37939	100.0
475.38629	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	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.2
57.07058	1.8
67.05496	5.8
69.03414	4.0
69.07064	4.6
70.06594	14.1
70.68506	2.0
70.68846	2.9
71.05005	15.1
71.75973	1.2
72.08144	3.9
79.05521	7.6
81.03429	1.5
81.07063	7.5
83.08610	4.5
84.04543	1.4
84.08144	3.7
85.02889	5.2
85.06553	8.1
86.09700	6.4
91.05482	6.9
93.07057	12.2
95.04964	3.7
95.08618	12.0
97.06545	21.0
98.48503	1.5
105.01853	3.7
105.07043	13.5
107.08606	21.5
109.06528	5.1
109.10157	3.7
110.07201	2.3
111.08057	3.6
113.04238	3.1
117.06989	2.3
119.08582	10.7
120.08116	2.7
121.09324	2.4
121.10152	33.5
123.08044	3.2
127.03870	2.1
129.10220	3.5
131.08563	7.1
133.10141	100.0
135.08052	17.7
135.11671	1.6
143.08562	2.8
145.10135	6.1
147.07965	1.8
147.10651	1.8
147.11714	18.7
149.09451	1.4
149.13280	16.8
158.10884	4.8
165.09123	3.0
173.11803	1.5
173.13280	26.1
188.84514	1.5
191.14326	94.8
383.36398	1.4
474.30551	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	474.2489
Annotation	Guan-fu-base F N-oxide
Peak:m/z	Relative Intensity
53.03941	3.7
55.05497	9.0
57.03452	2.2
57.07059	4.0
65.03938	2.2
65.93342	1.7
67.05518	10.6
69.03418	7.6
69.07056	7.3
70.06596	18.0
71.04978	3.0
71.54642	3.1
72.08144	3.3
75.84760	1.8
79.05512	17.3
80.05000	2.5
81.03465	2.0
81.07079	14.0
82.06583	5.6
83.04980	4.1
83.08598	4.9
84.04497	6.0
84.08136	5.2
85.02897	6.3
85.06560	4.1
86.09711	6.6
87.04452	3.0
91.05487	23.6
92.86045	2.0
93.07052	21.7
94.02922	3.3
94.06557	5.7
95.01304	2.6
95.04955	4.9
95.08624	10.7
96.04493	2.5
96.08111	2.4
97.06540	4.9
99.08110	1.9
103.05476	2.0
104.98271	3.0
105.07033	32.9
106.06553	5.2
106.10270	2.0
107.08603	22.7
108.08118	3.6
109.06551	11.4
109.10177	9.3
110.06029	7.1
112.03997	2.1
113.04196	3.8
113.05971	2.0
113.09626	2.1
114.01865	8.3
115.05467	2.8
117.07004	6.1
118.06564	5.0
119.04953	3.9
119.07785	3.5
119.08587	42.1
120.08080	5.9
121.06525	2.2
121.10146	18.7
123.04389	2.4
123.08054	8.5
123.11671	2.9
124.03959	3.1
125.05982	2.7
125.09647	4.9
126.05530	8.7
128.06227	7.3
129.06990	9.0
129.10222	4.1
130.07805	2.4
131.08575	20.0
132.08072	2.7
133.10135	19.7
134.06003	5.7
134.09628	2.4
135.08057	5.7
135.11620	3.0
136.07561	5.5
137.09615	7.4
138.01860	3.7
138.05502	3.1
140.03418	7.2
141.07004	4.8
142.07765	8.9
143.08560	23.1
144.08128	4.5
144.09360	2.3
145.06491	4.1
145.09018	3.5
145.10123	25.7
146.05988	3.0
146.09637	4.8
147.06943	2.1
147.08052	7.9
147.11664	9.1
148.07568	6.0
149.09538	4.4
150.05511	3.2
150.09129	2.3
150.51797	1.9
151.07545	6.4
152.03435	2.6
154.04922	7.1
155.08495	8.0
155.10612	2.8
156.09357	10.3
157.10149	20.4
158.09641	2.4
158.10873	2.9
159.08035	7.9
159.11652	10.7
160.07573	3.1
160.11215	3.7
161.09634	7.7
162.05487	5.0
162.09137	2.8
164.07042	3.6
165.09140	13.9
166.05013	6.5
167.08603	3.9
169.10139	10.7
170.10921	2.3
171.11728	16.1
172.07545	2.9
173.09634	3.7
173.13245	12.5
174.05515	2.6
174.09087	3.0
175.11183	7.9
175.14827	4.0
176.07059	2.8
178.05008	15.4
180.06555	5.9
180.09357	2.6
181.10123	5.0
181.12283	2.2
182.10918	6.0
183.11679	10.8
185.09721	2.6
185.13307	4.9
186.09113	3.4
187.14813	2.2
188.05539	5.8
188.07095	3.1
188.10620	2.3
189.12778	3.5
191.14308	5.2
192.06552	7.2
193.10074	4.5
195.11725	6.3
197.13275	14.0
199.11229	7.6
199.14828	13.4
201.12773	2.7
203.14346	5.3
207.11681	6.2
207.13693	4.6
208.12567	4.7
209.13231	2.9
209.15268	3.3
211.14932	3.1
213.12654	2.6
213.16327	3.8
215.14282	6.1
217.15857	7.3
218.08092	2.5
221.13365	4.2
221.15326	25.3
223.14803	10.5
225.12747	6.4
228.08595	9.8
233.13277	4.2
234.07576	2.7
237.16223	2.6
239.17934	5.2
240.08716	6.4
243.13840	10.9
252.08693	22.6
254.10274	3.1
263.17972	8.8
266.10229	26.9
281.19009	12.3
287.20029	7.9
299.20065	100.0
300.20731	2.8
306.13354	7.0
312.25293	18.5
318.13486	4.7
364.19150	3.0
382.20117	2.8
394.18610	14.6
438.22815	10.8
456.23810	17.4
474.24646	16.0
474.30640	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
55.05506	3.0
55.77814	0.7
56.05034	1.4
58.06599	4.7
58.99585	6.9
59.96740	1.5
61.01154	17.7
65.03933	0.8
67.05504	1.5
68.78842	1.0
69.35127	4.6
69.35533	1.8
70.06587	6.8
72.08150	3.3
73.01145	38.5
74.00671	4.3
74.02458	1.3
75.02696	2.3
76.02235	8.6
76.04008	0.9
78.96777	4.8
82.06590	1.0
84.04042	1.3
84.04514	23.4
84.08136	3.4
85.01117	4.7
85.02949	1.0
86.09702	4.9
86.99031	0.9
87.02697	4.4
88.02215	2.5
89.04261	86.0
90.64223	0.7
92.98336	98.6
96.08146	3.9
98.06048	1.0
98.09896	0.7
99.02682	16.3
101.04216	0.8
104.98324	1.5
107.99400	1.6
112.03976	8.6
113.04263	0.8
116.01684	4.2
116.05328	32.7
116.07090	10.2
116.08295	0.8
118.99873	46.1
119.99389	0.9
120.08096	1.4
121.01434	29.8
124.07613	3.1
126.09122	0.9
129.06586	1.2
130.05002	8.6
130.99866	0.8
142.03223	1.2
142.08672	1.2
144.04759	1.4
145.06108	0.9
148.02486	0.9
155.08142	1.0
155.25159	0.8
162.02190	2.8
167.00197	100.0
170.08134	19.8
170.09573	1.0
177.03299	2.6
178.04942	0.7
179.04868	5.5
182.06409	1.4
191.04921	1.3
202.05363	19.1
211.02191	1.4
217.24985	0.8
219.08000	45.5
233.06136	1.1
245.09636	1.1
251.05225	4.7
273.09052	5.6
330.11252	1.1
345.04431	2.1
348.12283	7.5
386.96915	0.8
399.05267	3.4
474.08594	1.0
475.18231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11576	0.9
51.74440	0.9
53.03951	0.9
55.01868	3.3
55.05497	1.4
56.05029	1.2
57.03445	5.1
58.06602	16.1
58.99586	5.7
61.01151	2.6
64.83160	1.0
67.01875	1.7
67.05492	2.4
69.03436	34.3
69.07073	2.1
70.06600	24.6
71.04972	1.4
72.08170	5.4
73.01145	14.8
74.00686	0.9
75.02723	1.0
76.02244	2.0
79.05482	3.3
79.49474	1.0
81.07063	2.7
82.06568	1.1
83.01366	1.4
83.04981	1.3
84.04498	3.3
84.08156	5.5
85.02914	31.5
85.06557	0.9
86.09716	22.8
86.99055	3.4
87.10036	1.9
88.03977	1.2
93.07027	0.9
95.01337	63.1
95.04989	5.0
96.08156	1.2
96.92394	2.6
97.02887	2.0
97.06556	6.0
99.02679	4.1
99.04467	1.0
103.03925	1.3
104.72101	1.1
104.98324	8.3
105.00098	2.7
106.99826	1.6
107.04951	2.7
109.02831	1.1
109.06493	1.2
110.06022	1.7
110.07191	2.0
111.04449	1.9
113.02380	1.8
113.06017	2.7
115.03940	1.6
116.05331	7.9
120.08101	4.2
120.99474	0.9
122.02739	4.6
123.04441	1.5
124.07627	0.9
125.06003	56.6
127.03941	2.9
137.05978	2.5
138.97058	1.8
141.05475	3.4
141.10178	1.0
143.07033	1.8
145.03185	17.7
151.03923	1.0
153.05479	62.8
154.05925	1.2
156.10204	2.2
160.04243	0.9
162.05861	54.4
194.03075	3.2
197.04518	3.1
201.12343	6.3
202.12688	1.2
215.05522	100.0
216.05829	1.3
227.09166	1.1
229.11823	4.8
229.15494	2.4
230.15694	1.1
242.02972	1.2
245.18553	2.7
255.08685	15.7
259.99069	2.3
293.12692	1.3
294.24249	2.8
309.12115	1.1
312.25461	4.6
321.12360	2.4
336.07440	2.5
400.02072	1.7
474.03629	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	474.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00688	0.9
55.01867	1.6
55.05510	1.6
57.03434	4.6
58.06601	15.2
58.99581	5.3
61.01137	1.3
67.05500	2.5
69.03074	2.2
69.03431	31.9
69.07068	4.4
69.90363	5.5
70.06597	27.9
71.06913	1.3
72.08158	4.5
73.01136	11.8
74.00672	1.3
75.02692	1.3
76.02235	1.7
79.05499	4.2
81.07078	2.8
82.06554	1.2
83.01360	1.1
84.04507	3.4
84.08142	4.8
85.02905	32.2
85.04871	1.1
86.09709	28.1
86.99062	2.2
87.02663	1.2
87.04479	1.2
87.10053	1.2
88.04007	3.2
93.07070	1.5
95.01329	62.8
95.04972	3.7
96.92418	1.7
97.02884	2.3
97.06526	6.3
99.02707	3.5
104.98326	8.2
105.00098	1.9
106.99873	2.5
107.04980	2.3
107.08599	1.3
110.06048	1.6
110.07159	1.9
113.02391	2.4
113.06038	1.7
115.03951	1.0
116.05335	5.2
116.07078	1.4
119.83274	1.0
120.01257	1.2
120.08132	4.6
121.10112	1.3
122.02732	3.5
123.04439	2.4
125.05996	49.0
127.03937	3.2
129.10249	2.5
131.08485	1.1
137.05988	1.6
140.04784	1.2
141.05478	3.5
141.10251	2.9
145.03188	20.3
151.03954	1.4
153.05469	53.6
153.99945	1.4
156.10204	1.8
162.05849	50.0
169.04965	1.6
178.07179	1.3
187.06030	1.8
194.03084	3.5
195.08813	1.1
197.04514	3.6
201.12343	9.1
202.12624	2.5
208.97668	1.1
215.05504	100.0
216.05876	1.6
229.11891	4.6
229.15483	3.5
230.12177	1.6
245.18625	4.3
246.18828	1.3
255.08647	15.9
255.11197	1.7
259.99078	1.6
294.24368	2.6
312.25348	4.5
321.12421	1.4
336.07571	2.3
342.20380	1.3
409.75967	1.1
448.61877	1.0
474.03851	8.5
474.19724	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	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94926	1.9
55.01873	5.5
55.05513	7.0
56.05035	3.2
58.99601	3.7
59.04998	2.4
67.05515	19.1
68.05050	2.6
69.03425	14.2
69.07053	7.4
70.06596	31.9
71.06936	2.7
71.07400	5.6
72.07794	3.9
72.08160	42.2
73.01121	2.6
74.00664	3.9
74.65096	2.2
76.04033	2.1
79.05490	5.1
81.03419	7.7
81.07056	5.9
83.04945	2.2
83.06096	2.0
84.04510	33.7
84.08157	17.9
85.02929	14.8
85.04839	6.0
85.06526	11.9
86.09714	100.0
86.10238	5.3
87.00829	5.1
87.05576	4.1
87.10069	2.1
91.05487	4.2
93.07041	9.2
95.04996	4.1
95.08615	71.1
95.09232	3.3
96.08144	3.1
97.02885	7.1
99.02676	5.1
99.04453	2.9
102.05549	4.9
105.01863	7.6
105.07023	8.0
107.08588	6.5
109.02881	5.9
109.06506	3.2
109.99012	3.4
110.07160	3.3
112.03968	4.1
113.04247	3.3
113.06011	11.3
115.03775	2.9
115.05091	2.5
116.05338	5.5
116.07087	3.2
118.04842	2.3
119.08579	15.6
120.08108	7.7
121.10129	9.9
123.08078	33.3
124.07629	4.3
127.03922	7.8
127.11156	2.6
129.10266	11.0
130.04991	11.5
131.08548	3.4
132.10188	4.4
133.10123	2.5
135.11745	15.5
137.06000	2.8
137.09612	7.5
142.08667	2.8
143.11815	3.8
144.06578	4.4
145.05014	2.4
145.10223	2.4
147.11679	5.4
149.09631	28.8
151.37663	2.4
161.13306	12.5
162.07588	8.4
163.11160	9.2
165.09132	3.9
165.12715	7.2
166.86955	2.1
170.08127	8.6
171.08417	7.0
171.11589	3.9
171.14934	4.1
179.14291	3.9
189.12706	17.8
199.14410	4.1
199.18057	5.7
202.05290	2.7
205.12256	3.9
207.13812	58.7
213.01573	3.1
217.06406	3.8
218.06718	2.9
219.08006	5.6
225.14865	7.2
227.17537	5.7
247.12891	4.8
249.33228	2.3
275.16052	6.6
314.18240	2.4
349.12299	3.8
363.54556	2.5
383.09161	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	473.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99585	11.3
61.01154	28.6
61.38519	2.7
65.03951	3.0
69.80798	5.8
69.81214	11.2
73.01139	17.7
74.01908	2.7
74.83052	2.2
79.05496	4.7
80.26674	2.3
81.07091	3.2
83.08619	5.2
87.02704	5.6
89.00627	6.9
90.12489	2.5
101.04254	6.4
104.98323	100.0
113.04247	26.0
114.04987	4.3
125.62733	3.1
133.21069	2.9
147.03001	58.2
149.02367	26.8
149.03432	4.1
163.02505	18.8
165.71272	2.4
177.87413	2.7
193.04970	12.3
262.24493	2.7
403.10385	4.7
429.11859	5.9
473.14423	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	474.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47962	1.2
55.01868	3.0
55.05508	3.2
56.05044	1.3
57.03430	4.9
58.06607	15.6
58.99575	5.8
59.57452	1.2
61.01135	2.1
65.14742	1.2
67.05495	3.9
69.03083	2.1
69.03436	34.8
69.07072	5.0
70.06596	36.8
71.06934	1.6
71.55419	1.5
72.08158	7.4
72.24084	1.4
73.01147	31.3
74.06040	1.8
76.02235	5.6
79.05493	4.2
81.03416	1.5
83.04981	1.9
84.04498	3.7
84.08151	7.8
85.01104	1.4
85.02914	30.7
85.06555	1.5
86.09708	34.7
86.99051	3.3
87.04478	1.7
87.10045	2.1
88.04025	1.3
93.07116	1.2
95.01340	58.0
95.01950	3.3
95.04971	6.1
95.08587	1.6
96.92401	2.4
97.02888	2.2
97.06539	9.9
99.02682	5.7
99.04421	2.0
104.75686	1.4
104.98327	5.8
105.00050	2.2
106.99878	5.0
107.04957	2.1
110.07198	2.2
112.08688	1.4
113.02380	3.6
113.05966	2.0
115.08714	2.0
116.05337	7.5
116.07091	1.6
120.08118	7.3
121.62490	1.5
122.02723	6.7
123.04341	1.7
124.80923	1.3
125.06001	52.5
127.03955	4.7
129.10260	5.0
132.10199	1.8
136.07561	2.0
137.05957	2.8
138.97031	3.1
141.05461	3.4
143.07036	4.9
145.03195	21.1
151.03943	2.0
153.05481	51.3
162.05849	63.7
169.05040	1.9
187.06044	3.3
197.04468	2.2
199.18100	1.8
201.12517	1.6
202.33588	1.6
215.05513	100.0
216.05891	2.7
255.08582	10.4
259.99014	1.8
294.24310	3.5
312.25278	2.4
353.01743	2.7
474.03757	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	472.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85096	1.3
55.01881	7.3
55.05509	2.9
56.05040	6.9
56.35534	1.0
58.06605	12.9
58.45381	1.3
58.99588	7.9
61.01147	2.9
61.97489	1.1
65.03945	4.2
67.05500	2.8
68.05019	1.8
69.03410	1.2
69.07059	1.5
69.21977	12.7
70.06599	14.6
71.04967	1.1
72.08163	5.2
73.01144	15.6
73.55297	1.2
74.00670	7.8
74.02448	4.3
76.02224	17.9
76.04010	2.6
82.06586	3.4
83.06112	2.4
83.07358	2.8
84.04511	100.0
84.08150	7.7
85.02956	1.2
85.04025	2.9
86.06025	1.2
86.09702	14.1
86.99065	2.6
88.02229	2.2
91.94827	1.6
92.01726	1.8
92.98340	1.4
96.08140	21.1
99.02683	40.7
101.04226	6.5
102.05553	2.3
104.98320	8.8
107.99400	3.7
110.00969	1.2
111.99825	1.2
112.03980	23.7
113.03506	1.5
113.04251	2.2
114.03761	5.7
116.01697	15.4
116.05328	63.1
116.07084	17.8
124.07596	16.5
124.23215	1.1
124.60226	1.2
126.03748	1.2
126.09171	2.6
127.02135	1.3
129.06638	3.7
129.10245	3.2
130.05013	24.7
130.99908	2.5
131.04506	2.7
142.03232	6.9
142.08653	11.9
144.01201	5.3
144.04832	2.6
147.05905	2.8
148.02504	7.6
149.07523	2.3
153.06587	1.2
160.00670	3.9
162.02205	10.9
170.08139	75.3
174.00391	1.5
176.02002	8.0
177.03290	7.7
179.04858	18.2
181.04599	3.2
182.06358	2.8
188.02046	1.9
189.10567	1.5
199.07133	1.5
202.05342	46.7
211.02063	5.1
213.01582	2.0
213.12482	1.5
217.06432	20.5
219.08003	72.6
219.51166	1.3
220.08403	1.8
221.07799	4.6
227.08426	1.3
229.06544	2.5
234.02423	1.7
245.05890	4.7
245.09586	3.8
251.05251	10.5
273.08990	12.4
286.12155	1.4
291.06461	1.8
305.06244	4.0
330.11127	2.8
342.09732	5.5
348.12265	41.8
380.09390	11.1
454.15161	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	472.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.3
55.05504	4.0
55.17479	2.1
56.05019	7.0
58.06594	9.8
58.99600	11.1
61.01148	8.3
62.51225	2.3
62.70010	2.1
65.81363	2.2
67.05499	5.9
68.05024	4.4
69.03424	5.1
69.07080	3.0
69.95183	4.8
69.95594	7.3
70.06599	21.5
72.08163	17.9
73.01144	19.3
74.00677	12.3
74.02447	2.7
76.02232	16.3
76.43521	2.3
79.05496	3.5
81.07063	2.4
82.06562	5.0
84.04512	100.0
84.08136	14.0
85.02916	3.7
85.87370	2.2
86.09715	32.9
87.02678	3.0
88.02205	2.2
89.00607	7.6
91.05497	2.7
95.08609	3.4
96.08143	19.2
97.06514	2.5
99.02693	35.7
101.04257	4.3
104.98319	11.9
107.99432	3.6
110.07175	5.5
112.03990	19.5
114.03773	5.8
115.40560	2.2
116.01667	10.8
116.05328	47.3
116.07085	13.8
120.08117	9.0
121.10108	2.7
124.07589	16.6
126.09167	4.6
127.02158	2.4
129.06587	3.1
129.10237	10.6
130.05011	16.7
132.04700	2.2
132.10153	2.7
142.03189	5.5
142.08670	12.0
144.04749	4.0
147.02979	6.9
148.02458	2.4
160.00674	3.1
162.02229	8.8
170.08145	79.6
177.03313	7.2
179.04855	24.3
189.12589	3.2
202.05342	46.7
211.02046	3.7
217.06419	3.5
219.08011	66.1
221.07564	3.5
229.15506	3.0
239.96577	2.6
245.09634	5.9
251.05260	5.1
273.08969	10.6
291.06418	3.5
330.11475	3.6
341.75198	2.6
342.99182	4.7
348.12280	36.8
380.09335	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	472.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85096	1.3
55.01881	7.3
55.05509	2.9
56.05040	6.9
56.35534	1.0
58.06605	12.9
58.45381	1.3
58.99588	7.9
61.01147	2.9
61.97489	1.1
65.03945	4.2
67.05500	2.8
68.05019	1.8
69.03410	1.2
69.07059	1.5
69.21977	12.7
70.06599	14.6
71.04967	1.1
72.08163	5.2
73.01144	15.6
73.55297	1.2
74.00670	7.8
74.02448	4.3
76.02224	17.9
76.04010	2.6
82.06586	3.4
83.06112	2.4
83.07358	2.8
84.04511	100.0
84.08150	7.7
85.02956	1.2
85.04025	2.9
86.06025	1.2
86.09702	14.1
86.99065	2.6
88.02229	2.2
91.94827	1.6
92.01726	1.8
92.98340	1.4
96.08140	21.1
99.02683	40.7
101.04226	6.5
102.05553	2.3
104.98320	8.8
107.99400	3.7
110.00969	1.2
111.99825	1.2
112.03980	23.7
113.03506	1.5
113.04251	2.2
114.03761	5.7
116.01697	15.4
116.05328	63.1
116.07084	17.8
124.07596	16.5
124.23215	1.1
124.60226	1.2
126.03748	1.2
126.09171	2.6
127.02135	1.3
129.06638	3.7
129.10245	3.2
130.05013	24.7
130.99908	2.5
131.04506	2.7
142.03232	6.9
142.08653	11.9
144.01201	5.3
144.04832	2.6
147.05905	2.8
148.02504	7.6
149.07523	2.3
153.06587	1.2
160.00670	3.9
162.02205	10.9
170.08139	75.3
174.00391	1.5
176.02002	8.0
177.03290	7.7
179.04858	18.2
181.04599	3.2
182.06358	2.8
188.02046	1.9
189.10567	1.5
199.07133	1.5
202.05342	46.7
211.02063	5.1
213.01582	2.0
213.12482	1.5
217.06432	20.5
219.08003	72.6
219.51166	1.3
220.08403	1.8
221.07799	4.6
227.08426	1.3
229.06544	2.5
234.02423	1.7
245.05890	4.7
245.09586	3.8
251.05251	10.5
273.08990	12.4
286.12155	1.4
291.06461	1.8
305.06244	4.0
330.11127	2.8
342.09732	5.5
348.12265	41.8
380.09390	11.1
454.15161	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36418	1.5
51.03690	1.3
51.39085	1.4
55.05515	9.8
56.05040	3.5
58.06590	1.9
60.04519	2.8
61.01123	1.5
69.03428	2.1
69.07057	6.5
70.01136	3.5
70.01526	2.8
70.06599	21.3
71.75240	1.3
72.08157	7.1
74.00655	1.7
74.06083	2.1
75.65260	1.7
80.83353	1.3
83.08640	7.1
84.04510	9.1
84.08136	8.7
85.02905	3.0
86.09712	78.4
87.05591	1.5
88.03989	3.1
96.08133	1.5
97.34542	1.5
98.20798	1.7
100.11267	100.0
100.86928	1.5
102.05541	2.4
102.09171	5.6
103.83623	1.5
110.07187	9.4
116.07082	2.2
119.04957	2.2
120.08092	1.9
127.08752	1.5
129.10226	5.9
130.04971	3.5
132.10236	2.6
136.07614	2.1
146.38594	1.6
147.04424	8.2
149.83566	1.3
170.08119	2.8
183.08221	4.0
199.18108	2.5
201.09344	14.1
209.16516	19.2
212.10236	1.6
227.17558	99.1
244.16907	1.7
245.18671	25.4
286.60666	1.5
291.13208	1.6
294.50507	1.5
309.14566	2.8
343.66110	1.6
364.11758	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	471.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01867	1.3
55.05515	10.0
57.03440	56.5
57.07072	2.6
64.70572	1.2
65.03927	2.1
66.25665	1.1
67.05511	36.0
69.07074	9.0
69.59702	6.4
70.48225	1.1
71.05000	1.3
75.91576	0.9
79.05498	37.6
79.05964	1.9
81.07063	36.4
83.04961	2.1
83.08623	5.0
85.06528	1.7
91.05487	20.7
93.07052	40.8
95.04970	4.4
95.08614	28.7
97.06503	2.2
97.10168	1.7
98.98471	100.0
99.08083	1.7
105.07043	16.6
107.08607	23.7
109.06530	1.0
109.10173	11.6
113.04202	2.5
116.99497	3.1
117.06993	5.8
119.08591	13.1
121.10157	17.6
123.11713	4.2
131.08592	10.4
133.10152	11.7
135.08110	1.1
135.11702	16.3
137.00000	85.7
137.13350	1.0
140.01111	1.3
145.10155	8.4
147.11700	7.0
149.13274	10.9
151.11183	1.1
154.94165	1.8
155.01048	86.0
157.10168	1.3
159.11729	6.6
161.13242	8.0
163.14883	4.7
172.95271	3.5
173.13312	7.2
175.14819	2.4
178.02602	2.3
187.14827	3.3
190.96313	1.2
193.02654	13.6
211.03670	32.5
233.22858	1.4
243.21101	12.7
261.22116	16.6
299.23819	1.2
317.17996	1.7
317.24728	7.6
335.25800	40.6
348.07492	1.2
453.17493	1.3
471.18793	3.9
471.25082	75.6
472.25342	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45188	0.9
51.82515	1.2
53.03938	3.8
55.05501	4.3
55.32779	1.0
56.05025	2.2
56.65508	1.0
57.03419	3.6
57.98770	1.2
58.99587	7.6
59.96720	2.1
60.04527	1.7
60.08160	1.6
61.01157	6.7
61.72172	1.1
62.99063	2.3
65.03928	1.1
67.05492	3.9
69.03434	41.6
69.07042	3.4
70.06598	22.0
71.04984	1.8
71.56111	1.4
72.08154	7.1
73.01145	18.3
74.06042	1.8
76.03999	1.1
79.05495	5.9
79.41094	1.1
81.03406	1.4
81.07038	4.4
83.01326	1.4
83.04990	1.5
84.00345	1.6
84.04499	8.1
84.08143	8.1
85.01135	63.1
85.02908	38.3
85.06573	2.7
86.01902	3.8
86.09708	10.1
86.99054	2.6
87.02697	100.0
89.00611	4.0
90.01420	2.1
91.02172	3.0
91.05479	1.6
95.01334	66.2
95.04967	10.7
95.08565	1.0
96.08070	1.1
97.02911	2.9
97.06543	8.2
98.09732	1.2
99.02686	2.0
99.04436	1.8
100.11245	3.6
101.00583	6.4
102.01382	5.4
102.05523	2.0
102.96749	14.6
103.02171	83.6
103.03945	3.6
104.98335	11.7
105.07017	1.4
107.04955	1.4
107.08564	1.2
110.07157	2.7
111.02647	1.4
112.03375	1.4
112.08748	1.5
113.02374	3.7
113.04236	16.7
113.05987	4.3
114.03806	1.4
114.04942	1.3
116.05306	3.8
116.07114	2.3
116.98305	22.8
117.99092	26.9
118.99871	9.7
120.08131	7.8
123.04436	4.0
125.05997	48.8
126.02497	2.0
127.03973	5.3
128.06978	1.3
129.10217	4.2
130.04988	1.3
130.99806	1.2
131.05341	1.6
131.43633	1.1
132.97786	2.0
134.99350	2.4
136.07619	1.4
140.07050	1.7
141.05421	3.8
143.07016	6.0
143.81892	1.2
145.01419	1.7
148.95546	1.3
150.97061	53.0
151.03847	1.5
153.05466	54.7
159.11765	1.1
163.02464	2.8
165.08995	1.1
166.96564	28.0
170.08099	2.0
177.03325	1.2
182.15378	1.8
185.09868	8.8
186.10124	4.8
187.06046	3.1
192.14165	1.2
197.04465	5.0
198.14964	1.7
202.05338	1.5
210.14900	2.9
215.05505	46.9
219.08034	2.3
226.14507	1.3
245.18440	1.2
267.09995	1.3
365.01813	14.2
400.28802	1.4
427.08502	1.4
470.32602	1.1
471.35352	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	471.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.3
55.05528	3.4
57.03440	6.7
58.99600	6.2
59.96729	3.3
61.01147	3.8
62.99076	2.4
67.05533	4.1
69.03434	34.9
69.07068	3.1
70.06601	14.3
70.73924	4.8
70.74269	2.1
71.04983	5.3
72.08152	4.7
73.01149	19.5
79.05495	6.6
81.07051	1.8
84.04549	2.3
84.08134	8.7
85.01138	63.0
85.02908	46.6
85.06550	3.3
86.01919	3.0
86.09728	10.5
86.99036	4.0
87.02702	100.0
89.00620	2.7
90.01375	2.1
91.02167	2.5
91.05485	2.4
95.01338	62.2
95.04977	8.4
97.06547	10.6
100.11263	3.3
101.00620	7.1
102.01410	7.6
102.96752	10.1
103.02176	93.2
103.03951	4.2
104.98306	10.5
113.02398	3.1
113.04244	10.2
113.06015	4.0
114.04984	2.6
116.98301	18.1
117.99094	25.4
118.99861	8.2
120.08109	2.4
123.04462	2.4
125.05996	47.7
127.03951	6.0
129.10245	3.1
130.54453	2.1
138.08434	2.0
141.05490	4.7
143.07060	8.2
148.95566	2.0
150.84019	1.9
150.97060	38.2
153.05482	52.8
159.11702	3.4
166.96567	31.0
169.28036	2.0
187.06082	2.3
187.11200	5.8
197.04436	2.5
205.12296	2.6
213.49417	2.2
215.05507	51.3
215.77251	2.0
365.01660	7.8
469.29080	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05515	6.5
56.05037	3.5
57.05811	0.8
58.06602	1.8
58.99598	1.0
60.04528	0.8
61.01149	1.8
68.05033	1.2
69.03452	1.1
69.07078	2.1
70.06596	30.4
71.06915	1.0
71.55093	0.9
71.55453	0.6
72.08156	100.0
73.01131	1.5
73.08472	0.6
74.00668	7.1
74.06068	0.9
76.02218	1.3
76.04017	0.7
76.27660	0.6
81.03391	0.7
81.07060	1.0
82.12239	0.6
84.04509	21.9
84.08151	8.8
85.02914	2.8
85.04025	3.0
86.09709	48.0
91.05470	2.1
92.01723	0.9
93.07014	0.6
96.08154	4.8
98.09731	0.8
99.02666	1.5
100.11266	2.1
102.05566	1.1
104.98308	4.0
107.99412	3.3
109.10181	0.7
110.07178	2.2
110.09683	0.7
110.80830	0.6
112.03976	3.2
112.07591	1.1
112.11225	1.2
113.03493	1.2
113.04227	0.7
113.07140	1.5
114.03764	1.5
115.08695	3.7
115.12346	0.9
116.01633	0.8
116.05336	2.2
116.07095	35.8
116.96568	0.7
119.07362	0.7
120.08114	2.8
124.07574	4.5
126.09122	1.2
127.03916	0.8
127.11199	1.2
128.07141	0.6
129.06593	0.8
129.10254	3.7
130.05016	15.0
131.04521	2.2
133.10101	0.7
135.04448	0.8
136.07579	2.7
137.07959	1.1
140.07077	1.4
140.14317	1.5
141.10207	0.8
142.08670	3.6
143.05650	1.1
143.08134	2.8
143.11797	46.8
144.06660	0.7
145.06065	0.7
148.02502	5.1
153.06635	0.7
155.08134	0.8
157.13351	6.9
161.09306	1.1
169.13344	2.2
170.08144	19.4
171.11292	92.2
172.11685	0.9
172.22256	0.7
174.00444	1.0
177.03287	6.8
179.04828	0.9
181.06122	0.7
185.03790	1.0
185.12878	3.1
185.16513	1.3
188.01987	1.0
191.39980	0.6
196.04260	5.7
197.12878	7.5
201.99944	0.7
202.05325	1.6
205.12486	0.8
211.02061	7.2
211.14378	1.0
211.18008	1.8
213.12383	2.2
213.15988	1.2
217.06393	0.9
219.08028	2.6
223.05971	0.8
229.15468	10.6
234.02287	0.8
236.07352	0.8
239.17523	1.9
242.15002	81.0
243.15334	1.2
251.05194	11.1
256.16586	5.7
268.04510	1.1
269.05499	1.3
284.19626	2.2
287.93564	0.7
289.05127	0.6
305.06250	3.8
310.21301	1.9
323.03580	0.8
325.03561	1.7
327.23895	22.1
328.24112	0.8
342.06500	1.6
348.12305	1.0
355.23404	13.4
380.09421	7.8
406.05942	2.2
471.35330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42774	0.6
53.03939	0.8
53.69464	0.7
55.01869	0.8
55.05512	3.7
57.03441	10.8
58.06596	3.7
58.99577	1.3
60.08169	3.5
61.01144	1.2
61.02928	1.0
62.42480	0.6
67.04239	1.1
67.05508	3.1
69.03442	4.6
69.07074	2.0
70.06593	7.6
70.31535	1.5
70.31918	1.9
71.01373	0.9
71.04997	77.7
72.05318	0.8
72.08154	2.3
73.01144	3.0
73.02924	2.1
74.00699	1.0
74.06090	0.8
75.04481	4.6
76.94173	0.6
79.05503	1.9
81.03432	0.8
81.07073	0.7
83.04987	8.5
83.08624	1.2
84.04507	4.8
84.08136	4.3
85.01132	3.0
85.02910	100.0
86.09727	4.5
87.02692	5.0
87.04481	2.5
89.00600	0.9
95.01337	4.8
96.08140	1.6
97.02910	2.7
97.06544	1.0
99.01421	1.3
99.02708	1.2
99.04451	1.5
101.06019	1.0
102.96772	0.9
103.02184	6.3
103.03958	0.9
104.98319	2.6
105.99111	1.0
107.04999	0.7
109.02880	1.3
109.10167	9.9
110.07197	1.2
111.02702	1.3
111.04456	7.6
113.04238	1.5
115.57154	0.8
116.05335	1.9
116.98358	1.4
117.99120	0.9
120.08112	2.4
124.07624	1.5
125.01721	2.1
125.05993	4.1
126.02494	13.2
127.03244	2.2
127.03973	2.1
127.11214	2.6
129.05487	45.0
129.10300	1.6
130.04994	2.4
139.93556	0.8
145.04974	2.2
145.12248	22.0
147.06534	19.2
153.05463	4.5
157.06718	0.9
164.09241	2.2
166.96619	2.1
167.06447	1.8
167.28146	0.6
170.08131	2.2
177.03375	0.8
185.09834	45.7
186.10484	1.5
197.04605	0.9
202.05322	0.8
211.02350	0.9
215.05428	4.1
219.07979	1.4
226.13831	2.0
230.42560	0.7
237.05263	1.3
251.05234	1.0
255.08655	2.3
255.15953	6.4
273.09561	1.0
282.10974	1.4
296.12625	1.3
314.13589	0.9
365.01962	1.3
379.08752	1.0
386.18500	0.7
426.08234	8.3
470.07269	2.4
473.39609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.8
56.05043	5.2
58.06598	9.0
58.99581	6.4
60.56069	2.1
61.01144	3.1
68.05016	3.3
70.06595	8.4
70.31288	7.7
72.08131	3.1
72.24937	2.0
73.01147	10.4
73.62984	1.7
74.00671	16.9
74.02442	3.3
76.02222	11.4
76.03996	5.8
77.15275	2.2
80.18137	2.1
80.19802	2.0
82.06573	2.5
83.06097	3.3
84.04509	100.0
84.08148	6.4
85.04030	6.0
86.09698	5.2
86.99063	1.9
96.08143	26.6
99.02682	34.3
101.04256	3.5
104.98325	10.7
105.28685	2.0
107.99413	5.1
112.03988	19.6
113.03499	4.3
114.03766	2.8
116.01711	12.5
116.05322	46.8
116.07063	11.9
124.07604	15.7
126.09185	4.0
129.06630	3.3
130.05019	37.9
130.99849	3.3
131.04536	8.0
142.03239	5.6
142.08649	13.7
144.01123	2.6
144.04825	1.8
145.06107	3.0
148.02461	11.0
160.00658	2.5
162.02211	7.2
170.08144	86.5
176.02052	3.8
177.03293	23.5
179.04904	13.3
182.06351	2.8
202.05347	35.2
211.02058	12.7
213.12488	3.5
217.06409	13.8
219.07986	49.6
227.17764	2.5
245.06004	2.7
251.05211	26.8
273.09052	9.6
291.06525	2.7
305.06274	9.3
348.12302	22.7
380.09543	18.6
438.13046	2.2
446.90384	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	470.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62437	1.9
55.01872	9.6
56.05024	4.6
57.33434	1.8
57.62125	2.1
58.06591	9.6
58.99579	8.2
61.01157	2.8
67.05485	2.5
68.05022	5.2
69.81880	10.3
69.82292	3.5
70.06584	8.4
73.01156	13.6
74.00670	16.7
76.02227	12.7
76.04004	3.2
77.65147	2.3
78.87910	2.0
81.61060	2.2
82.87704	2.0
84.04510	100.0
84.08131	6.4
85.04018	5.0
92.01711	2.3
96.08147	22.8
99.02687	37.6
101.04234	3.1
104.98315	10.7
107.99395	4.6
112.03984	20.3
114.03754	6.5
116.01695	10.3
116.04552	3.8
116.05329	49.3
116.07085	16.8
124.07596	17.7
124.94814	1.9
126.09133	6.2
129.06599	2.9
130.05008	42.0
130.99840	2.8
131.04549	4.7
132.70448	2.0
142.03183	6.1
142.08646	12.7
144.01164	3.4
148.02527	11.9
156.06558	2.6
160.00630	3.5
160.69173	2.1
162.02180	8.2
170.08144	92.7
176.02016	6.0
177.03323	27.3
179.03596	2.1
179.04831	11.5
181.06071	3.0
185.03914	2.6
202.05348	33.9
211.02122	15.7
213.12347	5.9
217.06409	18.6
219.08003	52.0
224.79208	2.2
229.06337	2.8
231.04358	2.1
234.02521	2.5
245.09653	2.4
251.05212	26.9
273.09125	7.4
291.06418	2.9
305.06113	10.0
306.07468	2.8
307.08292	2.5
330.11240	2.3
348.12311	24.6
380.09528	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	470.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13882	1.0
55.01879	8.7
56.05037	5.3
58.06602	9.3
58.99601	6.8
60.94399	1.2
61.01143	2.9
67.05503	2.6
68.05039	3.1
69.07077	2.0
70.06593	10.0
70.11800	4.8
72.08149	1.2
73.01140	9.7
74.00674	18.5
74.02454	3.1
76.02229	11.0
76.04021	4.6
76.47138	1.1
79.05486	1.5
82.06580	2.6
83.06126	2.0
84.04513	100.0
84.08167	6.0
85.04026	5.1
86.09695	3.6
86.99043	2.1
88.02279	1.0
92.01682	3.1
96.08144	21.6
99.02692	31.6
101.04253	3.1
104.97723	1.2
104.98320	7.7
105.38937	1.2
107.99418	14.2
110.06047	2.2
112.03326	1.9
112.03989	18.4
112.07584	1.2
113.03523	2.8
113.04233	12.2
114.03776	6.8
116.01700	12.7
116.05331	36.0
116.07109	12.0
124.07610	16.9
126.03771	1.4
126.09163	2.9
129.06601	2.7
129.10266	1.4
130.05016	47.6
130.99857	3.3
131.04547	6.6
137.30109	1.2
142.03232	3.7
142.08646	11.9
144.01167	4.6
144.04813	2.5
145.01465	1.9
145.06093	3.3
147.07620	1.3
148.02518	17.2
153.06651	2.0
156.06599	1.4
160.00674	2.6
161.32094	1.2
162.02225	8.9
170.02664	1.4
170.08144	75.8
174.00517	3.3
176.02020	13.1
177.03305	24.0
179.02385	1.4
179.04854	10.2
181.06006	1.9
188.02055	2.3
199.07179	2.3
202.05368	26.6
211.02086	21.3
213.12405	4.0
217.06447	33.1
219.08011	38.9
229.06535	2.4
234.02530	2.5
245.06053	3.1
245.09541	2.0
251.05225	23.1
265.03116	2.2
273.09128	5.5
291.06577	2.3
305.06183	10.2
306.07449	1.9
307.08362	2.3
323.03528	1.8
330.11407	1.8
340.06448	2.7
348.12329	23.6
367.31564	1.3
380.09470	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	470.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.8
56.05032	5.8
58.06593	5.7
58.99580	1.7
61.01146	5.6
68.05035	4.3
70.06592	4.0
70.84954	4.1
70.99571	2.6
72.87579	1.4
74.00668	39.3
76.04011	3.3
76.96925	1.4
83.07355	1.9
84.04513	95.9
84.08153	12.5
85.04037	12.7
90.70023	1.5
92.01692	6.1
96.08133	25.8
104.98334	22.8
107.99408	18.0
110.06054	2.4
112.03955	11.3
113.03496	5.0
114.03773	1.6
116.07086	4.2
124.07598	23.7
126.09157	4.8
130.05017	67.9
130.99870	3.1
131.04541	11.6
142.08627	17.3
148.02509	23.9
156.06552	3.5
160.00679	3.1
170.08134	100.0
174.00438	5.9
177.03304	49.5
181.06081	3.0
185.03860	2.5
188.02000	6.6
190.11476	1.5
201.99973	2.5
211.02080	30.5
211.03920	1.2
213.12375	9.9
231.04355	3.6
234.02565	5.5
251.05202	57.8
277.06754	1.5
287.05148	2.0
288.06613	2.1
305.06262	19.5
306.07477	4.3
323.03659	2.7
362.08411	2.3
380.09470	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.6
56.05029	5.1
58.06588	5.9
58.99573	1.4
61.01144	5.8
68.05015	3.2
69.07082	1.7
69.72062	8.4
70.06593	2.8
74.00668	40.3
76.03990	3.9
76.43071	1.1
82.06618	1.3
83.06117	1.6
84.04509	96.8
84.08164	8.9
85.02889	1.7
85.04031	11.2
86.06080	1.4
92.01703	7.6
92.33317	1.2
96.08138	26.1
104.98328	19.3
107.99403	16.9
110.06060	3.2
112.03962	10.9
112.07575	2.4
112.74715	1.4
113.03490	5.4
114.03788	1.5
116.07097	4.2
118.92969	1.1
124.07608	24.5
126.09174	4.4
129.06653	2.3
130.05009	60.4
130.99863	3.1
131.04549	9.6
142.04979	1.5
142.08635	17.5
148.02486	18.4
155.08070	1.8
156.06560	3.9
160.00699	2.1
167.11807	1.4
168.27028	1.3
170.08130	100.0
174.00449	4.3
177.03297	45.9
181.06090	4.1
183.63902	1.2
184.70560	1.2
185.69960	1.3
188.01973	6.5
202.00044	2.3
211.02087	34.6
213.12395	10.5
231.04378	2.0
234.02588	5.2
246.42744	1.4
251.05205	61.4
256.13828	1.5
259.05743	1.4
277.06778	1.8
288.06488	1.9
305.06250	19.0
306.07434	4.4
317.06381	1.4
323.03702	4.6
362.08725	1.6
380.09467	50.0
425.34387	1.3
497.59109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
56.05028	0.6
58.06594	2.7
58.99585	0.5
59.07390	0.4
60.07874	0.5
60.08164	7.4
61.01142	0.8
64.39461	0.3
67.04242	2.7
67.05483	0.9
68.05019	1.1
69.03422	0.7
69.07053	0.9
70.06592	4.3
71.04973	0.7
71.06934	0.4
71.55116	0.6
72.00308	0.3
72.08149	1.4
73.01138	0.6
73.08935	0.3
73.94531	0.3
74.06078	0.4
79.05476	0.7
81.07069	0.5
81.63696	0.3
82.05334	0.9
84.04512	2.1
84.08144	2.4
85.02918	1.7
86.09710	3.6
87.02693	0.6
87.05596	0.3
90.98541	0.4
91.05476	0.5
93.07037	0.5
94.97561	0.3
95.01321	0.8
95.04993	0.4
95.08591	0.4
96.08120	0.5
97.06537	0.8
99.01431	4.1
99.02727	0.6
100.02184	0.5
100.11253	0.3
102.05550	0.4
103.02172	0.6
105.07041	0.5
110.07143	1.2
110.93954	0.6
111.02676	2.8
111.05542	0.4
113.01738	1.1
113.04257	2.3
114.02473	0.6
114.09131	0.8
120.08123	2.4
124.48722	0.3
125.01705	7.1
125.06029	0.8
126.02490	31.2
127.03270	7.3
129.03693	0.6
129.10243	1.5
136.07600	0.6
141.06544	0.4
142.01927	0.6
142.99860	0.6
143.02795	0.5
145.10213	0.4
145.25258	0.3
153.05421	0.4
155.61922	0.4
157.06717	2.3
157.99657	0.6
159.00383	0.5
167.06404	6.0
170.07339	1.7
173.02036	0.6
174.02817	0.7
175.03630	1.7
177.03120	0.3
178.06917	0.5
184.09169	0.5
185.09830	100.0
186.10625	2.6
204.99274	1.0
205.99962	0.4
210.14857	0.5
215.05585	0.7
217.07010	0.9
223.03624	1.0
223.44012	0.3
226.13750	7.0
237.05148	3.6
247.49712	0.3
253.04758	0.4
259.08163	0.4
266.16788	1.2
282.10889	0.8
285.05420	0.6
287.03458	0.4
296.12558	1.3
314.13623	3.7
315.14154	0.8
346.10715	1.6
347.11401	0.7
348.99838	0.9
367.01016	4.5
379.08746	2.3
383.00647	0.5
410.99988	0.4
426.08331	28.4
427.08371	1.1
470.07098	0.8
470.27652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
56.05028	0.6
58.06594	2.7
58.99585	0.5
59.07390	0.4
60.07874	0.5
60.08164	7.4
61.01142	0.8
64.39461	0.3
67.04242	2.7
67.05483	0.9
68.05019	1.1
69.03422	0.7
69.07053	0.9
70.06592	4.3
71.04973	0.7
71.06934	0.4
71.55116	0.6
72.00308	0.3
72.08149	1.4
73.01138	0.6
73.08935	0.3
73.94531	0.3
74.06078	0.4
79.05476	0.7
81.07069	0.5
81.63696	0.3
82.05334	0.9
84.04512	2.1
84.08144	2.4
85.02918	1.7
86.09710	3.6
87.02693	0.6
87.05596	0.3
90.98541	0.4
91.05476	0.5
93.07037	0.5
94.97561	0.3
95.01321	0.8
95.04993	0.4
95.08591	0.4
96.08120	0.5
97.06537	0.8
99.01431	4.1
99.02727	0.6
100.02184	0.5
100.11253	0.3
102.05550	0.4
103.02172	0.6
105.07041	0.5
110.07143	1.2
110.93954	0.6
111.02676	2.8
111.05542	0.4
113.01738	1.1
113.04257	2.3
114.02473	0.6
114.09131	0.8
120.08123	2.4
124.48722	0.3
125.01705	7.1
125.06029	0.8
126.02490	31.2
127.03270	7.3
129.03693	0.6
129.10243	1.5
136.07600	0.6
141.06544	0.4
142.01927	0.6
142.99860	0.6
143.02795	0.5
145.10213	0.4
145.25258	0.3
153.05421	0.4
155.61922	0.4
157.06717	2.3
157.99657	0.6
159.00383	0.5
167.06404	6.0
170.07339	1.7
173.02036	0.6
174.02817	0.7
175.03630	1.7
177.03120	0.3
178.06917	0.5
184.09169	0.5
185.09830	100.0
186.10625	2.6
204.99274	1.0
205.99962	0.4
210.14857	0.5
215.05585	0.7
217.07010	0.9
223.03624	1.0
223.44012	0.3
226.13750	7.0
237.05148	3.6
247.49712	0.3
253.04758	0.4
259.08163	0.4
266.16788	1.2
282.10889	0.8
285.05420	0.6
287.03458	0.4
296.12558	1.3
314.13623	3.7
315.14154	0.8
346.10715	1.6
347.11401	0.7
348.99838	0.9
367.01016	4.5
379.08746	2.3
383.00647	0.5
410.99988	0.4
426.08331	28.4
427.08371	1.1
470.07098	0.8
470.27652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3081
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
55.05510	4.5
57.03444	4.2
57.07083	28.4
58.49662	1.7
60.37969	2.0
61.10477	2.1
62.06094	22.3
67.05504	7.7
69.07072	5.9
70.52358	6.6
71.08634	19.7
72.51632	1.8
79.05497	2.9
81.07059	9.1
82.96409	2.7
83.08614	6.9
85.10197	8.9
85.86958	2.0
89.06041	18.4
91.05469	3.0
93.07043	3.3
95.08632	11.1
97.10153	4.1
98.98484	14.0
105.07012	4.9
109.10160	5.9
119.08587	5.4
124.01663	2.4
133.08627	7.9
133.10068	2.5
142.02721	1.9
145.10110	3.3
155.01067	15.1
177.11249	4.3
201.16409	3.3
216.06297	3.7
283.17569	8.3
296.29431	11.3
314.27771	13.1
327.28952	100.0
376.21442	4.1
387.04803	1.9
407.25549	5.8
468.31433	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	468.3089
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05503	0.5
55.63627	0.4
56.05025	1.2
57.03433	0.6
57.07082	2.6
58.06612	1.1
59.45044	0.4
60.08172	17.8
63.54758	0.4
66.76055	0.4
67.05505	0.8
69.07065	1.1
70.15660	1.9
71.07382	7.0
71.08639	2.2
72.23560	0.4
81.07062	1.3
85.10179	0.9
86.09714	48.9
95.08607	1.5
98.98479	3.4
104.10754	100.0
105.11047	0.6
109.10141	0.6
111.20882	0.5
113.04230	0.8
125.00018	28.1
142.05003	0.4
163.01566	0.5
177.39410	0.4
181.02570	0.5
184.07361	91.6
185.07820	0.5
258.11093	1.3
285.24319	2.4
391.22772	0.6
450.29895	9.6
468.30896	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.0
56.05041	2.2
57.07084	4.6
58.06606	100.0
67.05511	1.3
69.07085	1.4
69.42552	5.2
71.08656	2.4
74.80711	0.8
76.07656	5.2
81.07090	1.3
83.08619	1.0
85.10208	2.1
91.73650	0.7
95.08601	1.3
97.10182	0.9
109.10178	0.9
113.04257	0.9
164.05829	0.6
207.52330	0.7
313.27383	25.0
450.29877	1.2
458.21164	0.7
468.31003	1.8
471.13974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09248	8.0
54.57148	6.6
55.05503	22.2
57.07076	20.1
67.05505	11.0
69.07053	15.3
71.08628	20.9
71.47704	11.4
81.07084	10.7
81.61832	7.8
83.08614	51.0
84.63438	6.9
89.05537	10.7
89.06038	100.0
93.07055	14.7
95.08640	16.5
97.02885	22.2
105.06998	8.7
107.08585	74.7
109.10169	20.9
119.08574	12.7
121.10145	14.2
125.09625	70.0
133.08611	59.6
137.09557	8.9
145.10075	12.2
147.08075	14.3
159.11687	13.5
163.11153	9.9
165.09166	19.2
169.39638	8.0
177.11209	25.1
177.12727	6.8
181.12239	49.9
184.25966	8.0
196.38603	7.4
202.21703	13.9
205.12274	13.4
212.23813	13.5
223.13301	79.1
230.24918	13.4
249.22896	8.5
283.17612	51.9
468.47638	13.7
472.88861	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
58.06360	0.2
58.06603	6.0
58.99583	0.3
59.07391	0.9
60.08167	7.8
61.01144	0.3
67.04251	1.7
67.05500	0.2
68.05042	0.8
69.07073	0.4
70.06593	0.8
70.68147	0.4
70.68512	0.3
71.05003	0.2
73.01145	0.3
82.05335	0.9
84.04502	1.0
84.08157	0.6
84.99864	0.2
85.02924	0.3
86.09714	0.9
87.19184	0.2
99.01428	3.9
99.02676	0.5
100.02234	0.3
101.04246	0.3
102.05526	0.5
110.07181	0.3
110.94003	0.4
111.02668	2.6
112.03443	0.2
113.01723	0.9
113.04225	1.0
113.15208	0.2
114.02508	0.6
114.03710	0.2
116.05322	0.7
116.07131	0.3
120.08138	0.4
125.01717	5.8
126.02491	28.9
127.03288	3.6
127.04135	0.4
129.03674	0.3
129.10228	0.3
133.07693	0.3
137.13809	0.2
141.01208	0.4
142.01955	0.2
143.02751	0.3
157.06689	2.4
157.99622	0.4
167.06413	4.3
168.05965	0.2
169.00722	0.2
170.07373	1.6
175.03496	0.3
185.09831	100.0
186.10591	3.1
202.05235	0.3
204.07175	0.3
207.09488	0.4
217.07011	1.0
219.08038	1.3
223.03604	0.8
224.12221	0.3
225.12929	0.3
226.13745	5.9
229.08809	0.9
237.05148	2.4
239.03137	0.3
253.04652	0.8
255.06059	0.2
259.08228	0.3
260.79822	0.2
266.16910	1.2
268.09354	0.8
268.46286	0.2
282.10968	2.7
285.05368	0.7
296.12506	2.0
299.14850	0.4
314.13412	1.2
315.14349	0.5
326.09891	0.4
346.10736	1.3
347.11502	0.5
367.00922	1.0
379.08667	2.3
383.00287	0.4
394.05112	0.3
426.08322	17.6
427.08795	0.3
438.04468	0.3
470.00894	0.3
470.07300	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	468.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55197	0.5
55.01867	1.3
57.07071	0.8
58.99585	3.0
60.04520	1.3
61.01157	5.5
67.05498	1.6
68.05026	0.7
69.03434	31.3
69.07070	0.8
70.06602	5.3
71.54591	0.9
71.55232	0.6
72.04518	7.7
72.08170	4.2
72.08511	0.8
73.01157	0.9
73.02914	1.9
74.00664	1.4
74.06091	1.2
76.02235	21.7
76.02679	1.1
78.03791	12.8
82.06581	0.7
84.04514	1.7
84.08155	5.2
85.02927	0.5
85.06550	1.2
86.06074	3.9
86.09709	6.7
87.05579	0.6
88.02228	4.7
88.04003	1.1
91.05492	0.8
95.04964	0.6
97.02930	0.6
98.06071	4.1
99.02660	2.4
99.05573	0.5
99.97962	0.5
101.00687	0.5
101.04269	0.7
101.07172	0.6
102.03091	1.1
102.03772	21.3
103.02171	1.2
110.07169	1.8
113.06021	1.5
114.03769	6.5
115.02217	0.5
115.08731	1.1
116.05331	2.5
116.07105	0.7
118.03235	2.0
120.01216	1.2
120.04806	3.5
120.08110	2.6
121.08401	0.5
124.07590	1.6
126.03742	0.6
127.02174	1.2
128.05309	13.0
129.03687	1.7
129.10257	3.8
130.03253	3.6
130.08676	0.9
131.06375	9.4
132.04799	11.2
136.07600	1.6
137.08031	0.5
140.07063	10.0
142.06619	0.6
142.08650	4.2
143.06393	0.8
144.04802	10.4
145.03278	0.7
145.04965	0.7
147.05836	1.7
149.07449	34.0
153.05536	0.5
156.04764	1.6
159.05882	1.5
162.05859	1.2
172.04260	5.6
173.07419	0.6
175.92661	0.5
178.03696	0.6
184.09718	2.0
190.05351	5.2
198.05838	2.0
202.05319	1.4
217.10089	2.7
221.89015	0.5
244.06477	2.0
245.18761	0.7
249.07336	2.7
261.12723	2.7
269.12906	0.7
270.13123	2.2
275.08826	5.0
288.14340	1.2
306.15033	1.2
309.09372	1.0
321.05896	1.0
321.09393	9.0
338.12039	100.0
339.12421	1.7
413.66437	0.6
450.17325	24.6
451.17459	0.7
468.18631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.8
57.03189	0.9
57.03442	10.6
57.07080	34.7
67.05505	8.1
69.07077	6.2
69.43520	6.1
69.95980	0.8
71.08636	24.8
81.07069	10.6
83.08629	6.9
85.10188	12.9
89.06047	1.0
90.53490	0.8
95.08612	18.6
97.10188	4.5
98.20766	1.2
98.98473	50.4
99.11766	0.7
109.10158	7.5
111.11715	1.0
116.99526	1.2
123.11691	2.4
131.57796	0.7
136.99988	4.0
137.13289	1.3
151.14914	0.8
155.01056	51.4
160.86914	0.7
211.03653	1.2
221.22696	0.8
229.04712	2.3
239.23720	5.2
251.05069	0.7
257.24878	1.2
280.49982	0.9
293.30884	1.0
297.29474	0.7
313.27383	100.0
314.27515	1.5
319.54135	0.8
393.23776	2.9
449.26660	16.1
465.82257	0.9
486.35199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.8
57.07066	4.9
61.21405	4.4
66.33830	4.2
67.05508	24.2
69.07067	26.8
71.56007	8.1
79.05492	23.4
81.07059	100.0
83.08614	9.2
91.05477	10.5
93.07037	17.2
95.08617	54.2
97.10182	4.8
98.20940	5.2
103.93819	4.7
105.07035	10.6
107.08587	22.1
109.10161	23.6
119.08537	10.3
121.10139	19.5
123.08043	5.3
123.11675	16.9
133.10071	6.8
135.11696	12.0
137.13338	10.5
147.11629	6.4
149.09583	4.2
149.13246	13.4
151.07553	56.5
161.13326	4.5
163.14847	12.2
166.06244	29.6
177.09103	5.8
189.09081	6.4
190.08635	7.6
191.10687	10.6
206.08122	19.8
371.47009	4.4
382.73926	4.6
403.43610	4.6
409.30423	5.3
466.32904	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	465.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01877	0.4
55.05269	0.2
55.05516	3.5
56.05025	0.5
57.05812	0.3
60.04530	1.9
65.03949	0.7
67.05511	0.4
69.03426	1.0
69.07060	0.6
70.02960	0.3
70.06230	0.4
70.06588	3.1
71.04970	0.2
71.40372	0.2
71.54733	0.3
71.55123	0.3
72.08158	27.2
79.05508	0.5
81.03433	1.3
81.07088	0.5
82.35008	0.2
83.01363	0.3
83.04976	0.3
84.04488	0.4
84.08159	1.6
85.02896	1.5
86.09212	0.5
86.09708	7.2
87.05592	2.1
91.05486	11.0
91.60326	0.3
93.07055	1.3
95.01324	0.4
95.04951	0.4
95.08629	0.4
97.02893	0.7
99.04465	0.7
103.05469	2.9
105.07012	0.8
107.08600	0.5
109.02879	1.3
109.10181	0.4
110.07154	0.5
111.09241	0.4
116.05318	0.6
117.07044	0.5
119.04964	0.3
120.08112	100.0
121.08463	1.3
125.06020	0.6
127.03923	1.0
129.07011	0.4
129.10242	0.7
130.06541	0.5
132.08066	0.3
132.10225	1.5
134.09712	0.5
136.07574	0.4
137.05983	0.5
141.10228	0.6
144.08104	2.8
145.10138	0.5
151.07578	0.6
153.05464	0.6
159.11293	3.3
162.09135	3.1
166.08653	0.3
169.09700	1.9
171.08023	0.4
172.07510	0.6
173.12962	0.4
187.10802	3.3
189.10318	1.0
199.07561	0.6
206.50294	0.3
207.11310	12.2
211.18172	0.2
215.05540	0.8
229.05029	0.4
233.16570	0.8
235.10750	5.5
271.14700	0.4
279.17044	20.9
280.17410	0.4
285.12350	0.3
287.05469	0.9
288.05780	0.4
288.17215	0.3
289.06122	1.0
289.15289	0.3
303.05014	8.4
303.08328	0.6
303.13345	0.4
303.19629	0.6
304.05313	0.3
316.16586	6.6
334.17719	0.8
366.20352	2.4
377.05737	0.2
398.74152	0.3
437.15735	0.3
447.26099	0.6
465.27362	0.8
466.04871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24505	0.5
59.19325	0.6
59.75016	0.5
70.06590	2.7
71.55170	0.6
72.08109	0.6
79.05495	1.3
79.06523	0.5
81.07034	0.5
83.06097	0.5
84.08149	1.1
86.09720	1.1
94.06572	0.8
106.06555	0.7
106.11221	0.6
107.08581	0.5
108.04519	0.9
112.09959	0.5
113.04287	1.3
120.08150	0.8
133.07478	0.5
134.06049	1.0
135.09195	1.2
136.07619	1.2
138.05530	0.6
144.08099	1.0
145.01352	0.5
146.06078	0.7
148.07597	1.0
153.12746	0.7
161.07121	1.0
161.10825	0.7
163.08676	8.7
164.07089	0.8
172.07600	1.9
180.62912	0.5
182.08183	0.9
182.09662	0.6
183.09201	1.5
183.17569	0.6
187.08694	1.0
188.09451	0.6
189.10208	4.3
197.10791	2.9
199.08664	2.1
200.09375	0.8
201.10237	0.8
209.10692	1.1
211.08725	2.8
211.12251	0.9
212.09399	3.4
213.10277	2.9
216.10260	2.2
218.07813	0.5
224.09387	1.0
225.10252	8.5
226.11005	4.0
227.11848	2.5
228.08372	0.7
230.11806	2.3
232.09814	0.6
237.10297	1.9
238.10995	1.3
239.11801	5.0
240.12527	0.8
241.09604	0.8
241.13371	0.6
242.10463	1.3
243.11389	1.0
245.10513	1.3
253.09818	1.2
253.13519	0.7
255.11371	0.7
258.11368	1.1
259.10873	1.9
267.11249	1.3
269.12936	0.8
270.09991	1.4
271.10773	3.2
272.11523	1.0
276.12433	0.7
281.12701	0.7
283.10822	1.2
284.11588	2.0
285.12369	10.5
286.12982	1.6
287.11755	1.2
289.13474	0.7
290.13004	1.3
292.14578	0.8
297.12259	4.1
298.13062	0.7
299.14084	1.2
301.13055	0.9
302.14029	0.9
303.10165	0.9
304.11728	11.9
305.12015	0.6
315.11496	1.3
315.14905	1.2
316.11804	1.2
317.12045	1.9
318.12384	3.7
318.15948	1.1
319.13107	4.0
327.81332	0.6
329.12985	2.2
330.13412	0.9
331.12772	3.0
332.14014	6.7
332.17627	1.0
333.14755	2.2
343.12885	3.4
345.28906	0.7
346.15634	3.3
347.16220	0.8
348.17841	0.7
361.15610	1.0
362.72580	0.6
364.16602	1.8
371.13974	1.2
374.13254	0.7
376.12750	0.7
378.14313	3.4
378.18622	0.7
388.16611	1.8
389.14865	4.1
390.14883	2.0
391.15289	6.9
392.15921	2.8
393.16791	2.8
404.15543	1.4
405.17068	0.6
406.17651	14.2
407.18594	0.9
436.15204	0.7
438.20541	0.7
448.18915	2.8
449.17007	3.6
451.17450	3.7
461.04132	0.6
466.19781	100.0
467.20038	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	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.63520	0.3
51.41273	0.3
53.03957	0.5
55.01890	0.4
56.05019	0.4
56.12273	0.3
57.03427	0.6
57.44737	0.3
61.02919	1.3
65.03938	0.3
68.99789	0.8
69.03438	2.6
69.07059	0.4
69.92557	1.0
69.92971	0.6
70.06599	1.8
71.04994	0.5
72.08156	1.9
74.06060	0.6
76.15665	0.3
81.03422	1.6
84.04499	1.1
84.08146	3.1
85.02427	0.5
85.02911	8.3
86.09716	3.3
91.03942	0.5
91.05495	0.5
93.03407	0.4
95.04992	0.6
97.02901	2.6
99.04457	0.4
102.05547	0.4
109.02875	1.2
110.07194	0.4
111.00810	1.0
120.08117	4.4
121.02868	1.6
122.09653	0.4
123.04408	0.4
127.03929	1.5
129.10229	2.4
136.07649	1.5
137.02362	3.8
145.04958	1.2
149.02350	0.7
151.07581	0.5
153.01849	4.7
155.04984	0.4
156.46736	0.3
161.06046	0.4
163.03941	0.6
164.07077	0.9
165.01888	2.4
166.02638	0.3
173.06049	0.5
177.05537	0.4
182.08240	0.4
183.02856	1.0
183.04446	0.4
187.03987	0.4
187.14445	0.9
194.08238	0.7
201.05463	1.9
201.08542	0.4
201.12521	0.4
212.09383	0.6
228.04240	0.4
229.04985	5.1
239.11757	0.5
247.05989	0.9
257.04486	3.2
267.11411	1.0
274.04749	1.0
285.03915	1.7
285.12442	1.7
287.05484	1.6
288.05804	1.4
289.06058	2.7
303.05017	100.0
304.05380	2.8
315.05078	0.4
431.73700	0.4
465.10263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	0.2
55.01863	0.3
56.05048	0.2
57.03430	0.3
57.14175	0.1
60.04560	0.1
61.02929	0.2
65.03940	0.3
65.75739	0.1
68.99791	1.1
69.03430	1.0
69.07060	0.2
69.67377	0.3
69.67778	0.6
70.06594	0.8
71.01323	0.1
72.08157	0.8
73.02879	0.1
81.03423	0.7
84.04514	0.3
84.08148	0.7
85.02916	2.4
86.09713	1.9
87.04464	0.2
87.10062	0.2
91.03967	0.2
91.05500	0.7
93.03408	0.5
95.04977	0.5
97.02919	0.8
98.21511	0.2
99.04432	0.1
100.60802	0.1
102.05569	0.1
103.05444	0.1
105.03388	0.1
109.02912	0.9
110.07179	0.4
111.00822	1.2
116.07067	0.2
117.07025	0.2
119.04960	0.4
120.08136	0.9
121.02893	1.3
123.04408	0.3
127.03959	0.8
129.10251	0.4
130.05023	0.2
131.04889	0.2
135.04433	0.3
136.07584	0.3
137.02353	4.2
137.03401	0.2
145.04982	0.3
145.06519	0.3
149.02350	0.4
151.07539	1.4
153.01837	5.5
155.04887	0.3
159.04439	0.2
161.06030	0.4
163.03937	1.1
164.07112	0.2
165.01865	2.5
166.02623	0.4
166.08615	0.2
173.02174	0.1
173.05966	0.6
173.09227	0.1
177.05519	0.2
179.03223	0.1
183.02916	1.0
183.04468	0.4
187.03911	0.4
191.03409	0.3
191.05125	0.1
191.06891	0.1
194.08150	1.8
195.02847	0.2
201.05479	2.4
205.04951	0.3
208.42613	0.1
211.03922	0.1
213.05505	0.2
219.02922	0.1
219.06569	0.3
228.04195	0.4
229.04973	5.7
232.03790	0.1
233.16530	0.1
239.11905	0.2
245.04405	0.2
246.05284	0.2
247.06027	1.0
255.08002	0.2
257.04468	3.5
261.15753	0.1
267.11227	0.5
269.88306	0.1
274.04810	0.9
275.05453	0.3
285.04007	1.6
285.12390	0.5
287.05487	0.7
288.05835	0.4
289.06097	1.2
302.04099	0.2
303.05005	100.0
304.05353	2.7
345.05917	0.1
465.10266	1.5
487.30240	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.33201	0.6
51.98588	0.5
53.03931	0.6
54.73204	0.5
55.01875	0.8
57.03432	0.7
61.02926	1.4
68.98714	0.5
68.99823	0.9
69.03439	3.2
70.88634	1.0
81.03415	1.3
85.02914	9.4
86.09702	0.8
91.03963	0.7
97.02374	0.6
97.02885	3.0
109.02885	1.5
111.00802	0.8
111.02361	0.5
120.08215	0.6
121.02868	1.2
127.03928	1.8
137.02362	4.1
145.04950	1.5
146.87453	0.6
149.02351	1.0
153.01830	4.4
163.03906	0.7
165.01836	2.1
166.02701	0.5
183.02922	0.5
201.05530	2.5
229.04970	4.9
257.04492	2.8
274.04889	1.0
285.04071	1.6
289.06104	1.1
303.05002	100.0
304.05365	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	464.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.05028	1.1
58.06606	24.8
58.99589	4.7
59.07371	1.4
60.08169	24.7
61.01149	3.8
67.04254	17.1
67.05501	2.1
68.05029	3.0
69.04598	0.7
69.05814	3.2
69.07088	3.4
70.06596	6.0
70.96049	1.6
72.08156	2.2
73.01141	4.6
74.09708	2.9
79.05492	1.9
81.07077	0.9
82.05313	0.9
82.07831	1.0
84.04510	2.4
84.08167	4.2
85.01121	0.9
85.02918	1.6
86.00648	0.9
86.09717	4.6
91.05465	1.4
94.06562	1.1
95.04980	1.1
95.06115	0.8
96.05727	0.7
97.01112	2.4
97.06539	2.5
98.00635	0.8
99.01433	6.1
99.02686	2.2
100.02210	2.3
101.04283	3.9
101.13440	0.8
103.97510	0.9
104.98328	6.4
108.08118	1.3
111.02672	13.8
111.05571	0.8
112.03432	3.9
113.01704	3.9
113.04248	12.3
115.02169	1.0
116.07169	0.8
120.08119	2.4
121.06416	0.7
121.10149	0.8
124.02190	0.7
125.01718	37.2
125.04216	2.3
126.02493	38.7
127.03275	31.5
129.03706	5.9
129.10208	2.1
130.04468	1.7
131.05296	1.0
132.08127	0.9
133.07581	1.5
136.95532	0.7
138.03745	1.5
141.01213	0.9
142.80188	0.9
142.99854	4.5
144.00658	1.3
151.03223	1.8
152.05309	2.9
157.06702	2.0
159.00536	1.1
160.18646	0.7
161.00900	1.4
163.04527	0.7
165.04863	1.8
166.05638	1.6
167.06401	45.4
168.06635	1.0
169.00659	0.9
169.12192	1.1
170.07504	1.9
172.09032	1.0
173.10698	1.0
178.06860	4.0
182.12805	1.3
185.09834	76.1
186.04102	0.8
186.10617	8.9
191.06342	1.4
199.03613	8.3
203.06442	1.4
204.07188	2.9
205.07982	2.8
207.09529	0.8
211.11369	1.6
217.07040	1.3
222.02878	0.9
223.03610	13.0
224.12251	1.6
226.13751	54.2
227.13933	0.9
231.00768	1.3
237.05167	20.7
239.03160	1.8
253.04765	2.4
259.08151	3.1
268.09406	7.7
280.09348	0.8
281.04227	1.2
282.10956	25.2
283.11438	0.7
287.05576	3.0
288.05881	5.2
296.12543	9.5
303.05139	1.0
314.13657	1.5
315.14343	1.1
343.04306	2.9
361.05316	10.4
377.04855	2.0
388.09875	1.7
402.11661	0.8
420.12689	100.0
421.12985	4.1
464.05484	1.2
464.11670	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.61057	1.5
52.70996	1.6
55.05516	14.3
57.07079	30.6
64.82365	1.4
67.05529	7.3
69.07076	22.6
71.08636	22.4
71.25022	2.1
71.25370	2.7
73.08119	1.6
79.05494	5.5
79.92614	1.4
81.07062	20.3
82.18193	1.6
82.53485	1.5
83.08624	16.2
85.02911	1.6
85.10195	13.7
91.05495	4.1
93.07045	6.6
94.41288	1.4
95.08610	16.5
97.02896	2.8
97.06515	2.8
97.10173	10.9
97.14281	1.9
99.04466	6.8
105.07023	6.8
107.08608	6.0
109.06524	13.4
109.10156	9.8
111.08090	2.2
111.11737	4.7
112.61697	1.4
119.08543	4.6
121.06535	2.0
121.10131	5.0
123.08073	12.4
123.11719	3.8
125.05993	16.9
125.13225	1.7
127.07565	42.4
127.08480	3.1
133.10127	5.0
135.08084	2.1
137.05997	4.5
137.09610	3.8
139.07550	100.0
147.11728	2.8
149.06023	2.7
149.09627	2.7
150.59698	1.5
151.07539	6.7
161.13249	2.2
163.07571	2.1
165.09064	2.8
167.07101	4.9
169.08675	1.5
175.11281	2.0
177.09132	11.5
189.12737	2.1
221.15385	2.2
249.14957	2.3
301.28986	4.9
319.30017	10.7
347.33063	12.0
373.31174	4.2
399.36313	3.6
403.35806	4.6
417.37231	16.7
427.35889	3.5
445.36761	48.8
463.37830	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03939	1.2
55.01891	1.0
55.05266	1.1
55.05516	12.4
57.07083	29.0
67.05508	6.9
69.06726	1.7
69.07074	23.2
70.90990	2.8
71.08635	20.6
79.05490	5.6
81.07066	17.5
83.08626	14.0
85.10191	13.4
91.05482	3.2
93.07072	6.3
95.08624	15.1
97.06530	3.2
97.10166	9.6
99.04443	4.5
105.07029	5.3
107.04977	1.4
107.08633	5.5
109.06529	11.5
109.10158	8.4
111.08089	2.5
111.11760	5.6
115.03860	0.9
119.08601	3.8
121.06465	2.5
121.10135	4.6
123.08083	11.7
123.11731	3.1
125.05995	13.5
125.09651	1.9
125.13290	1.2
127.07572	42.4
131.08583	1.9
133.10155	2.3
135.08087	2.4
135.11685	2.5
137.05975	4.2
137.09610	2.6
139.07550	100.0
145.10147	1.0
147.11783	2.2
149.06027	3.1
149.09715	2.2
149.13223	1.1
150.68149	1.0
151.07542	6.3
151.11235	1.7
153.09117	1.5
157.82935	0.8
161.09576	0.9
161.13199	2.2
163.07533	2.5
163.11159	1.4
165.09142	2.9
165.12831	1.5
165.16338	1.1
167.07126	5.7
169.08612	2.5
175.11208	1.0
175.14844	1.9
177.09135	11.5
179.10712	1.6
189.12804	1.5
191.10686	1.0
191.14330	1.0
193.12279	2.0
195.10143	1.1
203.14316	1.6
207.13699	1.1
219.13826	1.2
235.16982	1.0
247.16835	1.6
249.14816	1.1
301.28827	4.6
319.29938	10.9
342.91135	0.9
347.33112	14.8
373.30988	4.7
389.37946	1.6
399.36444	2.2
403.35696	2.2
417.37283	19.1
427.35800	2.9
445.36838	43.4
463.37836	32.8
464.37790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	55.7
57.07078	79.6
64.13037	7.2
67.05502	29.3
69.06718	9.7
69.07068	100.0
69.75201	6.1
70.85384	9.3
70.85734	21.2
71.08632	46.7
79.05490	32.6
79.95422	8.0
81.07072	57.2
83.04948	7.9
83.08633	71.1
85.10191	28.9
91.05458	17.3
93.07043	36.9
95.08618	87.1
97.10175	38.0
104.58260	7.4
105.07015	40.5
107.08608	50.9
109.06521	24.0
109.10144	20.5
111.08089	16.6
111.11697	26.4
119.08591	46.8
121.10155	28.7
123.08054	30.7
123.11718	9.3
125.05994	15.8
125.13256	14.8
131.08571	9.1
133.10144	38.7
135.08075	51.9
135.11659	15.2
137.09616	11.1
143.08443	10.2
145.10144	21.1
147.08017	12.0
147.11658	18.9
149.09630	12.9
149.13203	10.5
151.07574	30.0
157.10202	10.9
159.11702	11.2
161.09625	12.3
161.13278	35.5
165.12680	10.9
167.07098	13.0
171.11758	17.2
173.13257	9.1
175.11174	15.9
175.14769	17.1
181.08588	19.6
189.12753	11.6
191.14297	12.6
298.57498	8.0
319.22595	10.0
357.04782	7.7
357.35089	23.6
375.36310	18.4
389.30646	10.0
399.36215	30.6
417.37122	31.9
427.35895	34.8
445.36826	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.9
55.01860	5.6
55.05515	21.1
57.03431	6.6
65.03930	4.5
67.05176	3.6
67.05511	64.6
69.03429	4.2
69.07079	19.2
69.56957	9.5
69.57378	7.5
71.04975	6.8
73.01144	2.9
79.05496	54.7
81.07063	63.4
83.04990	5.3
83.08610	9.0
85.06538	5.1
91.05491	68.9
92.68602	2.6
93.07058	49.3
95.04968	8.3
95.08610	36.7
97.06540	7.5
97.10140	3.6
97.40072	2.5
105.07037	59.5
107.04971	6.9
107.08600	26.1
107.69764	2.5
109.06512	8.3
109.10156	13.2
110.58115	2.5
111.02665	2.4
113.04230	14.4
115.05458	4.4
117.07032	34.2
119.08590	33.5
121.06482	8.3
121.10171	15.0
123.08096	3.8
128.06219	5.9
129.07030	18.4
131.08583	51.2
133.06461	8.0
133.10159	23.0
135.08086	6.5
135.11688	6.9
137.09589	4.4
141.06961	7.3
143.08549	20.4
145.01526	4.2
145.10130	33.6
147.08060	6.8
147.11679	7.5
149.09619	5.7
149.13281	4.4
155.08548	10.4
157.10149	10.5
159.08104	3.3
159.11710	10.1
161.09665	5.1
161.13234	3.2
167.08510	4.7
169.10132	10.0
169.53232	3.0
171.11723	11.1
173.13206	5.9
175.03955	2.9
181.10155	6.4
183.11684	7.0
185.13274	6.5
187.14795	5.3
195.11624	4.3
197.13214	11.5
199.14984	3.1
209.13152	6.6
211.14807	5.9
215.14314	4.9
219.06541	3.1
223.14818	5.0
225.16289	3.0
233.15421	3.6
255.17395	3.5
261.18546	2.8
273.18533	4.0
287.05551	31.3
317.48184	3.1
325.25290	5.7
335.23743	7.3
343.26447	15.9
353.24774	37.2
371.21313	4.8
371.25854	51.2
389.26926	38.4
427.28439	4.8
439.00180	3.2
445.29520	100.0
463.30661	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	463.2668
Annotation	Briarellin L
Peak:m/z	Relative Intensity
51.30216	0.8
54.87407	1.1
67.05508	4.7
69.07059	2.2
69.96408	0.9
79.05508	2.1
81.07053	5.6
84.04491	1.6
85.02920	1.2
91.05474	1.8
93.07037	3.7
95.08603	2.0
98.21505	2.3
100.99910	1.0
104.94730	1.0
105.07027	2.3
107.08596	2.9
113.04225	2.8
131.08568	0.9
133.10182	1.9
135.11755	1.3
147.11691	1.1
149.13278	1.8
163.02068	0.9
185.04204	12.7
187.42737	0.8
195.13814	1.3
287.05502	11.2
287.76816	1.0
301.21368	7.3
463.26602	100.0
464.27017	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	6.0
53.03944	5.2
55.01867	6.0
55.05515	38.0
57.03446	17.9
58.99568	4.5
65.56433	3.3
66.13336	3.9
67.05173	5.7
67.05508	89.1
69.07070	35.7
70.06610	4.7
71.04994	6.5
71.07619	10.1
72.21958	4.4
79.05500	81.6
81.07065	94.8
83.04980	7.9
83.08616	22.3
85.06551	6.0
91.05490	100.0
93.07046	71.5
95.04980	18.3
95.08613	60.8
97.06528	13.0
97.10189	5.8
99.02625	5.4
105.07039	80.8
107.04977	5.0
107.08598	33.2
109.06530	12.1
109.10153	15.7
113.04231	49.3
115.05431	6.4
117.07019	49.8
119.08579	44.1
121.06496	12.3
121.10143	21.2
123.08080	8.3
128.06244	5.8
129.07024	38.7
131.08574	82.3
132.35605	3.9
133.06454	5.1
133.10150	33.4
135.08002	6.5
135.11691	14.7
137.09595	6.7
138.38792	3.5
141.06978	12.8
143.08566	21.8
145.01393	12.0
145.10150	42.4
147.08054	7.7
147.11688	10.5
149.09647	6.3
149.13258	9.0
153.01897	5.5
155.08554	14.7
157.10123	17.3
159.08058	6.8
159.11694	29.2
161.09673	6.1
161.13295	7.9
167.08565	5.9
169.10135	14.6
171.11693	16.9
172.16666	4.1
173.13243	8.0
179.14201	4.2
181.10147	9.5
183.11703	11.2
185.13254	6.9
187.11121	5.6
187.14900	6.2
195.11736	9.0
201.12900	5.2
211.14784	6.2
223.14906	4.3
225.16374	5.9
227.14235	4.6
233.15430	5.6
255.17577	5.3
259.16956	4.6
261.12140	3.9
261.18588	5.3
275.20230	3.8
287.05466	52.0
325.25330	13.9
335.23499	8.8
343.26465	22.0
353.24722	47.7
371.25839	61.5
389.26874	53.3
427.28421	9.7
445.29468	85.8
463.30655	66.7
483.31781	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	463.0872
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
53.46677	0.1
59.29821	0.2
63.31628	0.1
68.99789	0.5
70.06591	0.3
71.03649	0.2
71.03979	0.2
72.08140	0.3
79.05485	0.2
84.04531	0.2
84.08163	0.2
86.09692	0.4
88.00484	0.2
89.03944	0.2
91.05421	0.2
97.02853	0.2
105.03403	0.4
107.04948	0.5
109.02871	0.3
111.00822	1.0
117.03345	0.3
120.30216	0.1
121.02869	3.0
124.96025	0.1
129.07036	0.2
129.10216	0.2
133.02834	0.6
137.02316	0.9
145.02846	0.8
147.04424	0.7
149.05997	0.2
153.01839	4.2
157.06502	0.6
165.01878	2.0
171.04396	0.3
175.07498	0.2
177.05469	1.8
183.02921	1.1
185.05992	0.6
189.05495	0.2
203.07062	0.2
213.05460	1.5
218.08318	0.3
229.05083	0.2
231.06517	0.7
241.04990	1.0
258.05237	1.3
259.06000	0.6
265.53333	0.2
269.04480	0.4
273.36346	0.2
287.05508	100.0
288.05850	1.6
338.33728	0.1
342.13513	0.4
386.36893	0.2
402.55746	0.2
463.08682	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	463.1233
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
53.26147	0.2
55.05505	0.4
56.05031	0.2
68.99797	0.4
69.07059	0.3
69.83741	0.4
69.84150	0.8
70.06248	0.4
70.06599	4.4
72.08145	1.1
81.07068	0.3
82.65179	0.2
84.04494	0.6
84.08145	2.7
85.02931	0.3
86.09701	2.9
91.62306	0.2
99.00806	0.4
102.05541	0.5
103.05453	0.4
110.07145	0.3
111.04481	0.3
112.01609	0.3
119.04940	0.6
120.08111	0.9
120.91112	0.2
121.02866	2.3
127.00304	0.4
129.10225	1.1
130.06564	0.6
132.08087	0.4
132.10153	0.3
137.02368	0.2
140.01074	0.3
147.04434	0.3
153.01888	0.6
159.09163	0.6
165.01839	0.3
165.05495	1.0
168.00551	6.8
169.01323	0.2
183.15031	0.3
186.01610	4.8
249.00444	0.5
258.05255	2.0
285.04007	0.5
286.04733	64.5
287.02139	0.5
287.05478	14.0
301.07077	100.0
302.07361	2.0
463.08450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0874
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
65.03928	0.2
68.99795	0.7
85.02914	0.2
88.56586	0.1
89.05710	0.1
98.58683	0.2
100.24343	0.1
105.03371	0.4
107.04952	0.5
109.02869	0.3
111.00816	0.7
111.04445	0.2
119.77087	0.1
121.02878	3.0
133.02856	0.6
137.02325	1.2
145.06470	0.3
147.04407	0.5
152.51978	0.2
153.01839	5.3
157.06450	0.4
165.01854	2.2
171.04449	0.2
171.58334	0.1
183.02867	1.1
185.06006	0.5
189.05481	0.2
197.06023	0.3
203.07071	0.2
213.05486	1.7
229.13405	0.2
231.06528	0.7
241.04877	0.9
258.05264	1.4
259.06033	0.4
269.04437	0.3
270.05286	0.2
287.05508	100.0
288.05878	2.3
297.41061	0.2
463.08707	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.087
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
65.03933	0.2
67.01863	0.1
68.99794	0.9
69.84661	0.6
70.06599	0.7
70.84409	0.1
72.08147	0.3
81.03397	0.2
83.06126	0.1
83.66820	0.1
84.04507	0.3
84.08147	0.3
85.02888	0.1
86.09721	0.6
98.20731	0.1
99.22178	0.1
105.03391	0.5
107.04964	0.6
109.02864	0.3
110.07162	0.1
111.00811	0.8
112.31606	0.1
112.56185	0.1
116.07108	0.1
120.08132	0.2
121.02873	3.2
121.06506	0.1
129.07005	0.2
129.10243	0.4
133.02872	0.6
135.04498	0.1
137.02371	1.1
141.06996	0.1
145.06454	0.2
147.04373	0.7
153.01837	5.7
157.06435	0.7
161.05963	0.3
165.01859	2.0
169.06461	0.1
171.04350	0.2
177.05507	0.1
183.02907	1.1
185.05995	0.7
189.05518	0.2
197.06056	0.1
203.07076	0.2
213.05493	1.7
229.04951	0.1
231.06517	0.9
241.04950	1.1
243.06548	0.1
258.05267	1.4
259.06049	0.4
269.04517	0.2
287.05502	100.0
288.05820	2.0
463.08694	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	463.0874
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
58.98077	0.1
67.01875	0.1
68.99802	0.8
70.73763	0.3
79.05524	0.2
81.03416	0.2
95.04976	0.2
103.50257	0.1
105.03393	0.4
106.40579	0.1
107.04962	0.5
109.02885	0.5
111.00826	0.9
121.02877	4.1
127.03912	0.2
133.02859	0.7
137.02339	1.2
145.06506	0.3
147.04425	0.7
153.01845	5.7
157.06500	0.5
161.05963	0.2
165.01862	2.4
171.04445	0.2
183.02913	1.2
185.05984	0.7
189.05455	0.2
197.05997	0.2
213.05492	2.1
231.06506	1.0
241.04990	1.1
241.07065	0.2
243.06537	0.2
243.88641	0.2
253.14983	0.1
258.05249	1.7
259.06015	0.6
269.04483	0.2
287.05521	100.0
288.05804	2.4
358.12122	0.2
463.08734	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.8
58.99582	9.7
61.01139	13.2
67.05502	14.4
69.03414	5.0
69.07071	16.1
69.09943	3.6
70.06581	16.5
71.10567	5.8
71.10898	4.5
73.01137	14.0
74.45083	4.0
75.25845	3.6
79.05479	16.9
81.07056	15.4
84.08134	7.9
86.09700	5.2
87.02696	7.3
89.00586	3.8
91.05502	9.0
93.07050	9.2
95.08597	5.7
97.06517	10.5
99.02708	5.7
99.95667	3.5
101.04255	14.0
104.98331	44.4
105.07066	4.6
108.27962	4.0
111.02708	9.8
112.03448	12.2
113.04243	100.0
114.05031	4.9
115.05782	8.7
119.08624	5.2
121.02878	4.2
121.06524	4.6
121.10127	6.6
129.03700	20.0
130.04520	4.0
131.05270	5.4
133.10126	4.9
136.95557	4.1
142.99797	6.2
145.01450	34.0
147.02968	12.1
151.05885	3.7
153.01840	6.5
163.02507	10.7
194.99713	9.2
203.05669	14.9
209.62805	4.0
235.02867	8.4
253.03995	4.4
285.01022	7.0
287.05515	71.2
300.28976	12.8
301.29062	5.5
462.33572	5.7
463.30579	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	461.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	41.4
57.07080	65.3
66.50880	9.7
67.05506	23.5
69.07080	66.1
71.08649	51.2
79.05496	28.8
81.07062	96.2
83.08617	39.6
85.10186	24.5
91.05486	13.1
93.07046	21.4
95.08608	56.2
97.10159	22.4
97.20937	8.2
98.21151	12.5
99.04459	22.0
105.07043	15.0
107.08605	23.4
109.06522	24.1
109.10169	38.8
111.04478	12.1
111.11744	22.7
121.10159	14.2
123.11709	18.7
127.03928	29.7
131.08528	11.5
137.05991	100.0
145.10112	24.2
149.05986	10.3
151.07530	23.4
159.11728	25.5
159.60184	8.8
163.14891	10.7
173.09656	78.7
173.13344	9.7
175.11211	14.9
177.05510	10.0
177.09137	12.4
187.11189	54.7
191.10706	17.6
191.14436	8.4
205.12299	27.1
219.13805	11.8
277.28952	11.3
324.30667	8.7
369.19815	8.0
383.33127	55.5
397.34586	24.9
401.34167	66.5
425.34567	12.8
443.35349	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	461.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12618	0.4
56.05032	6.1
58.06607	2.4
60.04957	0.4
62.75137	0.4
69.07071	10.0
69.07452	0.5
70.02935	0.6
70.06604	2.7
71.28488	0.5
72.08166	4.4
73.04041	1.7
74.06083	14.9
84.04509	6.1
84.08156	2.0
85.02876	0.7
85.10207	0.4
86.09709	100.0
87.10059	1.0
88.03989	0.5
98.09710	0.6
101.07152	11.4
102.05545	1.6
109.02830	0.4
110.09706	0.9
116.07093	1.0
119.08117	0.7
120.08134	2.2
124.11219	1.3
126.09200	0.9
126.12791	1.4
129.10254	1.4
129.53693	0.4
130.05008	0.6
137.63249	0.5
142.12296	6.9
143.11813	2.9
144.06606	0.9
151.77650	0.4
162.07668	2.2
165.10222	0.6
169.13364	0.5
173.12883	2.5
187.14427	51.6
190.91307	0.5
199.18137	0.9
201.12349	1.8
215.13921	28.5
219.13567	1.0
227.17464	0.7
243.13411	0.9
246.46729	0.4
247.12909	29.1
261.14508	2.6
276.13464	0.6
283.20172	0.6
328.22333	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	461.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05042	2.4
57.05824	0.3
58.06599	1.0
60.04532	2.9
62.54325	0.3
69.03436	0.6
69.07072	7.5
70.02966	0.4
70.06242	0.6
70.06597	6.1
71.54628	0.4
72.08155	3.6
74.06085	8.7
81.03441	0.5
81.07049	0.4
82.06573	0.4
84.04506	4.4
84.08141	3.5
84.62568	0.3
85.02920	1.0
85.04034	0.6
85.06576	0.2
86.06071	0.4
86.09710	100.0
87.05595	1.1
87.10038	0.6
88.03983	2.1
93.07044	0.4
93.58524	0.3
97.06535	0.3
98.06041	0.5
100.07609	0.6
101.07150	2.4
102.05553	1.8
103.05471	0.5
107.85717	0.3
109.06526	0.4
110.06082	0.4
110.07169	1.0
111.05589	0.4
112.08751	0.3
113.04309	0.3
120.08127	2.6
126.05506	2.9
127.04037	0.3
127.05033	0.5
128.07100	0.6
128.10732	0.7
129.06610	5.2
129.10226	1.7
130.05016	0.3
132.10214	1.0
136.07619	0.7
141.06642	0.6
141.10263	0.6
143.11804	0.4
144.06544	1.5
145.06076	0.6
145.09732	1.9
148.06099	0.6
149.09709	0.3
153.06624	1.4
154.04958	0.7
156.10225	0.6
160.74577	0.3
166.08655	0.5
171.07661	5.9
173.05638	0.4
173.12865	3.8
183.11450	0.7
187.14436	0.6
188.84161	0.3
189.08711	6.9
195.10141	0.6
199.07213	1.0
201.12363	6.3
213.11240	0.6
215.13971	0.6
217.08208	16.4
229.11928	1.1
230.07785	0.3
245.18628	11.6
261.14453	3.0
284.16074	0.9
302.17294	1.2
312.15491	1.9
314.20627	0.6
330.16589	4.8
443.24908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.5
55.01876	13.7
55.05511	21.9
56.05028	1.4
57.03444	10.4
57.07070	5.3
59.04998	3.2
61.02936	7.3
67.05499	12.1
68.99794	4.8
69.03433	62.7
69.03815	3.2
69.07072	45.7
70.06600	13.1
70.52766	2.1
70.53168	3.2
71.01366	2.2
71.04993	13.7
72.08157	3.6
73.01144	3.3
73.02919	11.5
74.06068	1.7
74.09721	7.1
75.95012	1.3
79.05496	8.0
81.03422	60.4
81.07058	26.3
83.04985	14.5
83.08633	7.4
84.04510	3.8
84.08170	8.8
85.02908	100.0
85.06546	18.5
86.09704	15.3
87.00833	36.1
87.04456	1.6
91.03943	3.7
91.05484	3.6
93.07049	14.1
94.06564	1.9
95.01336	5.5
95.04983	4.8
95.08614	35.9
96.73552	1.3
97.02900	28.2
97.06522	7.6
97.10159	10.6
99.04460	18.3
99.07475	2.3
99.08095	30.2
101.02389	2.2
103.03948	3.3
104.05208	1.4
105.01869	23.7
105.07044	4.4
107.04956	4.1
107.08606	20.2
109.02885	57.8
109.06567	2.0
109.10145	15.6
110.07189	2.9
111.04462	2.0
111.08115	3.8
111.11737	8.2
113.04228	5.2
113.09645	9.4
115.03967	2.3
117.01873	4.2
119.08607	3.9
120.08098	5.0
121.06484	2.0
121.10146	24.4
122.06048	4.0
123.08066	2.1
123.11738	9.9
125.05994	7.2
125.09664	8.6
127.03922	86.5
127.11223	2.3
129.01859	5.7
129.10229	4.4
130.08655	1.7
131.04945	1.5
133.10172	1.6
134.06030	3.5
135.08090	1.8
135.11694	14.9
136.07602	2.2
137.09618	2.6
137.13258	15.7
139.11115	6.6
141.12811	1.4
145.04970	28.0
147.02879	4.7
149.13280	6.1
151.11166	1.5
151.14818	4.8
153.05489	4.4
153.12741	14.3
159.02893	32.6
159.11685	1.5
161.09633	1.4
163.14816	2.0
173.13162	1.5
175.14902	1.9
177.03891	2.1
177.16391	63.1
180.99457	2.2
182.00407	2.4
185.50143	1.8
187.06026	2.3
189.03946	2.2
190.06270	2.5
195.17461	61.4
213.03987	3.9
213.18507	48.6
214.18817	1.3
215.05606	6.7
222.11177	2.5
223.12129	2.2
231.04997	18.5
236.09016	2.0
236.12764	2.2
237.10098	4.1
238.10660	5.6
243.07520	1.3
248.12534	1.8
249.06047	2.2
249.10283	5.4
250.10655	7.5
251.11641	4.1
252.12186	6.0
263.11771	2.0
264.12363	7.5
265.09625	4.0
265.13040	13.7
266.10074	5.2
266.13602	6.4
267.11169	1.6
277.09723	1.8
278.10001	2.8
279.11096	2.2
280.11569	3.3
293.12616	1.8
294.13388	3.5
295.10852	1.7
295.14084	3.0
296.11127	4.7
303.19781	1.6
310.12701	2.1
311.13651	1.8
312.14392	1.7
320.11462	2.2
322.12888	2.9
324.10852	1.6
325.11597	2.6
337.11810	3.2
338.12357	11.4
339.13138	12.7
340.13730	13.6
365.08707	1.8
387.18753	2.7
401.16995	1.8
415.18451	1.8
417.20197	13.3
425.21637	1.9
433.19458	5.3
443.18192	6.4
461.18365	10.9
461.24896	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	461.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60514	1.6
53.03955	16.0
55.01876	17.8
55.05515	24.8
55.11256	1.8
57.03443	13.3
57.07071	5.0
59.05006	2.3
61.02926	5.7
67.05500	11.2
68.99783	7.0
69.03436	72.4
69.06723	3.4
69.07074	45.9
69.81081	9.6
70.06603	18.2
70.46394	1.7
71.04996	12.2
72.08152	7.0
73.01133	5.4
73.02932	10.5
74.09710	4.6
79.05496	9.4
79.47690	1.8
81.03423	59.3
81.07059	28.3
82.06581	2.0
83.01328	2.3
83.04990	11.3
83.08630	9.0
84.04494	3.9
84.08142	9.3
85.02912	100.0
85.06557	21.7
86.09712	18.7
87.00837	39.4
87.04452	2.4
91.03939	3.4
91.05476	3.1
93.07044	13.5
95.01327	9.9
95.04975	5.5
95.08611	35.6
97.02895	30.8
97.06535	9.2
97.10179	13.5
98.20836	3.4
99.03848	2.3
99.04469	25.7
99.08105	30.7
100.11240	2.5
103.03893	2.3
103.05467	1.8
105.01867	24.6
105.07014	6.5
107.04942	4.0
107.08606	23.2
109.02884	63.6
109.10163	17.9
110.07167	3.3
111.08075	4.0
111.11703	7.6
113.04243	4.9
113.07167	1.9
113.09653	10.7
117.01842	5.5
119.08546	3.2
120.08092	4.6
121.01406	2.3
121.10155	26.3
122.06021	3.7
123.06332	2.0
123.08028	3.3
123.11680	9.4
125.05972	6.9
125.09615	9.1
127.03928	98.1
129.01854	8.1
129.10225	4.1
131.04916	2.7
133.10127	2.8
135.11703	15.7
136.07600	2.4
137.05992	1.9
137.13284	16.1
139.11211	8.9
145.04973	32.2
145.10063	2.5
147.02869	6.1
149.13246	5.2
151.03900	3.6
151.14784	3.6
153.05473	6.7
153.12767	20.6
159.02895	35.2
169.08646	2.0
177.16408	77.9
180.99513	2.6
182.00331	3.1
182.15356	2.3
190.06271	3.6
195.17474	72.3
196.17825	2.5
203.03249	2.0
211.16701	2.1
213.03961	4.0
213.18521	51.5
215.05559	8.9
231.04985	20.0
237.10101	3.2
238.10541	2.7
249.10124	3.9
250.10590	7.3
251.11351	1.9
252.12312	2.8
264.12402	5.0
265.13104	9.3
266.10037	2.2
266.13580	3.1
280.05841	1.6
280.11691	3.0
294.13397	2.5
295.14270	1.7
296.11249	2.2
321.12094	2.2
338.12311	7.5
339.12936	8.5
340.13596	8.7
417.19934	7.6
425.22241	2.0
433.19434	2.8
443.18039	3.4
443.23706	2.3
461.18622	8.0
461.24597	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	460.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27506	0.6
55.05519	9.3
57.05817	0.6
69.03433	1.0
70.06587	1.2
71.54285	0.9
72.08160	100.0
73.08513	0.7
75.41037	0.5
84.04515	0.6
85.02917	2.6
86.09722	1.5
97.02892	1.4
118.08664	73.7
127.03931	2.3
145.04907	1.3
160.39618	0.6
232.11218	0.6
252.35504	0.6
256.24393	0.6
274.45868	0.6
300.68118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
55.05499	1.5
56.05028	2.1
58.06607	7.7
58.99591	11.3
61.01155	20.3
63.94444	1.6
65.10074	0.8
67.11389	0.9
69.31768	2.1
69.32178	5.2
70.06583	3.7
70.99562	2.8
72.00362	1.0
73.01148	22.7
74.00662	1.9
74.02438	1.7
75.02699	1.4
76.02233	24.5
76.03996	2.0
78.96785	13.5
79.19849	0.9
82.06593	1.1
83.02388	0.8
84.04514	27.9
84.08152	1.3
86.99101	1.6
89.04278	1.3
96.08149	4.0
99.02691	16.0
101.04236	1.1
103.97588	1.2
104.98325	100.0
105.97814	3.4
110.93186	1.0
110.93961	34.5
112.03973	6.1
116.01694	8.4
116.05326	36.6
116.07088	8.7
118.99873	15.7
124.07587	3.4
129.06499	1.0
130.05038	5.0
131.04495	1.2
142.03217	3.7
142.08595	1.9
144.01151	3.3
144.04774	1.5
145.06052	0.9
152.98633	22.1
160.00642	1.8
162.02206	14.0
167.81580	0.8
170.08142	18.1
179.04866	27.5
202.05365	17.8
209.00520	0.8
219.08003	66.4
228.00050	3.7
229.06435	0.9
233.05977	5.0
245.05946	2.1
245.09619	1.6
257.00836	1.9
273.09082	6.2
291.06595	1.2
308.09195	5.1
331.02805	2.6
348.12271	11.9
385.03635	3.0
460.06830	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
57.89137	1.7
58.99573	3.8
61.01145	4.1
67.05500	3.2
69.03432	23.3
69.07059	4.1
70.06593	13.6
70.08125	7.7
72.08170	3.1
73.01134	2.5
74.06083	1.9
79.03896	1.6
79.05489	7.8
81.07060	1.8
84.04532	2.7
84.08144	10.2
85.02912	23.3
86.09701	6.0
91.05491	3.6
93.07081	1.9
93.18103	1.8
95.00762	3.0
95.01334	41.6
95.04955	4.1
97.06532	5.1
99.02681	2.8
103.03915	2.1
104.98313	3.0
105.07043	2.7
112.03419	2.9
113.04243	100.0
113.05969	2.9
115.05803	19.0
116.05307	3.2
118.06867	2.0
120.08122	3.1
125.05994	33.1
127.03902	2.7
129.03734	3.0
129.10214	2.0
131.05219	2.2
142.99832	2.0
143.07001	2.4
145.01427	4.6
145.10136	2.0
153.05472	37.6
159.09132	3.3
176.98569	2.8
179.00220	2.1
215.05531	42.5
219.02016	2.4
460.37469	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79562	2.4
55.01846	2.7
55.05507	10.1
57.07080	3.6
58.96705	2.8
67.05502	14.3
69.03438	7.8
69.07069	13.5
70.03563	2.5
70.03851	12.5
70.06606	14.8
79.05493	3.9
80.15228	2.6
81.07083	15.9
81.07452	2.8
83.04984	7.3
83.08637	6.1
84.08163	9.1
85.02895	5.3
85.06552	4.9
86.09702	9.9
87.00815	3.2
91.05513	3.7
93.07029	6.4
95.08609	30.6
97.34874	2.3
98.20732	3.4
99.08109	2.9
103.31281	2.6
105.07039	6.4
105.58633	2.3
107.08603	20.8
109.06517	7.6
109.10168	91.2
111.08055	3.7
118.06847	3.1
119.08588	31.6
121.10146	7.4
121.28642	2.5
123.08076	12.1
123.11748	4.1
127.03909	4.8
129.10196	4.3
133.10143	19.3
135.11697	89.1
137.09618	19.0
149.13281	4.6
151.11206	10.5
151.14801	9.9
159.09178	3.6
175.14839	37.5
193.15884	49.7
211.16943	100.0
254.64262	2.6
297.44446	2.6
330.80148	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	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.05527	7.2
57.03437	2.0
57.07076	3.0
59.05005	2.3
61.01145	1.3
67.05507	15.7
69.03436	13.5
69.07076	12.6
69.92412	6.2
70.06596	20.9
71.05016	2.1
72.08149	2.7
74.06052	2.1
75.90472	1.4
75.97662	1.3
79.05499	2.9
81.03405	2.7
81.07051	16.9
83.04969	8.1
83.08636	6.7
84.04494	3.4
84.08152	10.0
85.02905	13.0
85.06540	2.7
86.09717	33.3
87.00826	4.6
91.05467	2.4
93.07047	12.6
95.01315	3.9
95.04977	2.0
95.08617	28.7
97.06537	2.2
97.10162	1.8
99.08122	2.8
105.01875	1.7
105.07022	6.5
107.08607	18.7
109.02876	2.0
109.06522	7.9
109.10162	94.1
111.08109	2.9
111.17348	1.4
113.04227	4.1
113.09628	2.9
115.08717	2.8
118.06883	5.2
119.08585	45.0
120.08144	2.6
121.10170	9.5
123.08089	13.8
123.11723	8.8
125.05991	3.5
125.09697	1.7
126.05476	1.6
127.03979	3.0
129.10275	1.8
130.06541	1.4
131.49724	1.5
132.10268	1.9
133.10130	21.0
135.11702	100.0
137.09651	12.1
139.11118	1.8
148.06129	2.1
149.13324	6.9
151.11253	6.7
151.14857	10.4
153.05461	2.8
153.12750	2.8
159.02937	1.5
159.09195	4.4
165.16409	3.5
175.14835	44.6
193.15897	61.1
211.16943	59.0
215.05519	2.5
237.86467	1.4
239.13910	4.3
254.14890	1.5
257.15002	3.3
276.19955	1.6
336.05270	1.4
337.11703	1.9
339.13043	1.9
371.22736	1.6
460.18555	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	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.9
56.05028	10.9
56.74701	1.8
57.03440	2.3
59.73469	1.8
60.04522	4.1
61.01147	4.5
61.93460	1.6
68.05033	1.9
69.07056	7.6
70.06596	100.0
70.70473	2.2
70.70802	4.0
71.06930	4.9
72.07798	2.7
72.08159	34.4
73.08488	2.8
74.02433	1.9
74.06068	3.4
79.05470	3.0
81.07066	2.1
83.06091	3.6
84.04508	20.7
84.08146	14.9
85.02895	3.5
86.09711	80.5
86.10241	4.3
87.10016	2.7
88.03979	8.4
91.05479	8.0
93.07076	2.0
95.08575	2.0
98.06023	3.9
101.07117	6.3
101.86658	1.7
102.05564	3.2
104.05316	10.7
107.04942	3.0
107.08603	2.8
109.02824	2.3
110.07171	3.8
112.45332	2.1
113.04301	1.9
116.07078	3.5
118.06531	3.7
119.04907	4.9
120.08088	5.9
123.04417	2.4
125.05977	2.5
129.06596	8.2
129.10237	7.1
130.04958	3.2
130.08632	2.7
132.10277	2.3
134.08092	2.4
136.07578	24.2
140.04906	3.2
141.10278	2.3
142.08600	3.5
144.06502	2.5
146.06105	16.6
147.04442	2.3
154.06523	2.1
155.06035	28.9
157.09810	4.1
166.12253	3.5
167.06030	7.3
168.06831	3.5
169.07613	44.5
170.05977	3.9
174.05843	11.5
179.06070	16.3
181.05029	4.8
181.07640	5.2
182.06058	1.9
182.08325	3.8
183.05519	20.1
183.09181	3.4
183.14928	3.9
184.06006	1.9
184.07518	2.3
185.07135	12.2
187.10814	6.1
193.07652	21.9
195.05586	38.2
196.06348	17.5
197.07103	34.2
197.12694	2.1
198.05525	7.2
199.05017	3.0
201.06731	2.2
201.12360	6.6
207.05505	8.3
207.07266	1.8
208.06250	3.0
208.10909	3.3
209.07126	6.1
210.08031	3.4
211.05107	3.0
211.08693	6.4
211.14514	2.9
212.07137	2.6
212.12830	3.9
213.06595	34.6
213.12358	2.7
215.10289	5.8
215.13925	5.4
217.15526	3.6
221.07109	36.9
223.05162	2.2
225.06593	60.0
229.06134	28.9
229.09744	1.9
229.11877	5.9
229.15376	2.0
231.13388	7.5
231.17033	4.5
237.06635	7.9
238.07265	7.2
239.04668	3.7
239.05695	2.2
239.08150	37.5
241.06134	6.2
243.07684	9.9
243.13393	4.2
245.18552	3.3
249.06631	11.9
253.06093	7.8
255.07742	2.4
257.05618	9.3
265.06076	2.6
267.07681	37.0
269.05582	7.6
270.08752	9.5
271.07135	39.7
277.06107	21.8
282.06229	3.5
283.06921	2.0
285.08737	39.0
289.08551	11.8
294.08667	9.9
295.07141	69.6
297.07401	3.9
312.09869	9.3
313.08194	66.9
330.10880	27.2
331.09201	12.3
332.12640	2.1
336.12991	2.5
360.12158	2.1
381.11838	2.0
382.10205	9.6
399.12997	40.4
400.13297	3.1
406.10266	16.9
414.13141	10.0
423.13010	31.2
424.11475	24.9
441.14038	50.5
442.12457	21.5
459.15045	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
54.42955	1.3
55.05516	8.2
57.07075	2.2
59.04999	2.4
61.02898	1.8
67.05508	15.2
68.16970	1.4
69.03416	7.9
69.07075	12.6
70.06599	6.4
71.04986	3.2
77.55235	1.7
79.05490	3.2
81.03431	4.5
81.07065	18.2
83.04987	7.3
83.08637	6.3
84.08154	4.3
85.02907	9.6
85.06538	5.3
86.09722	3.7
87.00855	4.0
87.04457	1.6
91.05479	3.9
93.07036	10.2
95.08617	30.5
97.02911	3.8
97.12566	1.7
98.21539	3.3
99.08112	2.3
105.01882	3.3
105.07053	8.2
106.21886	1.5
107.08599	19.5
109.02901	2.5
109.06525	6.1
109.10164	94.0
113.29619	1.7
118.06915	2.0
119.08598	39.6
121.10162	11.2
123.08074	14.2
123.11720	8.9
127.03927	4.6
133.10127	20.1
135.11703	100.0
136.12131	1.9
137.09634	16.1
139.11220	2.0
149.13260	5.5
151.11201	8.2
151.14874	11.8
153.12769	2.7
156.05299	1.6
159.02931	2.1
165.16417	3.4
175.14832	42.9
193.15894	62.2
211.16948	59.3
345.41611	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.9
55.05503	22.1
57.03438	10.5
57.07061	7.5
65.03936	7.2
67.05500	68.3
69.03433	47.9
69.07051	24.5
69.63001	41.0
71.04983	11.8
72.53686	5.9
79.05502	54.3
81.03428	57.1
81.07060	70.8
83.08619	7.7
85.02911	100.0
91.05480	41.6
93.07053	55.5
95.04976	9.0
95.08625	57.8
97.02905	37.0
98.20778	14.9
103.90318	5.8
105.07027	25.8
107.08595	25.7
109.02859	17.7
109.06533	6.5
109.10143	28.7
117.07016	12.1
119.08566	20.9
121.10132	23.1
123.08058	6.8
123.11699	11.2
127.03934	27.0
129.07018	8.7
131.08553	21.3
133.10139	15.2
135.11707	15.4
145.04967	24.3
145.10127	16.4
147.11710	14.1
149.13217	10.6
157.10004	10.4
159.11668	9.4
161.13283	10.2
173.13269	12.0
178.45770	6.0
180.08717	20.1
187.14735	9.7
224.09898	7.2
261.22144	10.6
277.21802	6.5
279.23184	8.9
299.85837	7.7
315.23172	6.2
369.24301	20.6
387.25156	9.1
405.26367	14.9
457.81195	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	458.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00352	2.9
53.03952	3.4
55.05522	4.0
56.05046	2.9
57.22826	2.7
61.01155	3.5
63.93996	2.9
67.05519	13.2
69.03427	6.0
69.07050	8.6
70.03804	5.6
70.04191	6.0
70.06590	22.8
71.68530	2.6
72.08156	9.8
73.01141	3.9
78.44302	2.7
79.05502	17.1
80.05038	6.1
81.07063	15.2
82.06570	6.9
83.08601	3.2
84.04492	7.8
84.08163	13.0
85.02921	9.6
86.09702	12.5
91.05480	33.5
93.07056	19.5
94.02930	5.3
94.06564	6.0
94.92545	2.9
95.01356	4.5
95.04960	9.7
95.08598	12.4
96.04517	5.4
97.02944	2.9
98.06028	3.1
103.05455	4.3
105.07043	42.3
106.06528	3.0
107.08597	14.2
108.04488	3.1
109.10146	10.6
110.02409	4.1
110.06043	13.4
111.02684	2.8
112.04023	4.6
113.04225	11.1
114.01884	6.3
115.05470	3.6
117.07014	23.1
118.06660	2.3
119.07795	3.5
119.08585	38.8
120.08121	7.3
121.10123	19.5
124.03948	5.2
126.05534	5.0
128.03429	9.5
128.06229	12.4
129.06996	11.3
129.10248	6.8
130.06505	5.1
130.07814	20.3
131.08583	38.1
133.10143	18.1
134.06000	7.7
135.08015	2.7
135.11703	7.7
136.07510	3.9
138.05463	3.8
140.03447	14.1
142.07797	6.5
143.07498	3.4
143.08575	46.9
144.08099	4.8
144.09291	5.0
145.10130	100.0
146.09663	4.2
147.11708	5.4
152.03391	3.7
154.04988	11.6
155.08591	3.9
157.10146	11.7
158.04486	9.4
159.11665	9.6
162.05511	6.0
162.09138	3.7
169.10181	5.6
171.11649	7.2
172.11157	3.7
173.13275	28.7
176.05507	4.5
176.06961	3.4
178.05005	21.5
179.08508	7.4
180.06615	3.9
185.13313	6.8
186.09171	6.4
188.05511	10.1
191.14293	3.3
192.06593	5.2
195.11723	7.9
197.13116	4.2
199.14812	4.0
200.10655	5.8
206.11511	3.1
209.13239	9.5
223.14786	4.0
228.08618	25.3
246.11255	4.4
252.08701	23.2
254.10309	3.8
265.19562	15.5
274.14343	10.6
278.24863	5.2
296.25955	23.2
318.13397	8.8
320.14923	21.2
348.18057	25.1
366.19287	6.9
388.84143	3.2
440.24390	23.1
458.25320	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	458.2537
Annotation	Guan-fu base F
Peak:m/z	Relative Intensity
51.02372	3.5
53.03946	6.4
55.05501	5.1
57.07072	8.6
60.07867	3.0
64.61430	3.0
67.05492	9.1
69.03426	5.4
69.07052	11.3
70.06591	17.6
70.50798	11.2
72.08167	6.1
73.01137	4.0
79.05498	23.5
80.05011	3.7
81.07069	18.3
83.04929	4.6
83.08621	4.3
84.04491	9.0
84.08125	12.7
85.02909	8.5
85.06526	5.4
86.09689	10.3
91.05480	34.6
93.07068	36.1
94.02934	4.5
94.06592	8.5
95.04975	7.7
95.08602	13.4
96.04481	7.4
103.05450	6.0
104.98304	4.3
105.06373	5.2
105.07037	44.1
106.06551	9.0
107.08602	26.5
108.08105	4.0
109.06541	3.8
109.10147	13.2
110.02383	10.2
110.06046	11.1
110.07103	4.6
112.03986	3.9
113.04230	6.4
114.01868	7.1
117.07044	19.1
118.06717	3.4
119.08580	43.4
120.08138	7.2
121.10157	17.0
123.11733	4.0
124.07578	3.6
128.03439	15.9
128.06238	6.6
129.06995	10.4
129.10222	7.7
130.06540	4.8
130.15947	10.2
131.08578	55.0
132.08075	4.0
133.10136	31.4
134.06024	7.9
134.09668	3.5
135.08073	21.0
135.11740	4.3
138.01822	5.6
138.05560	4.3
140.03441	21.4
140.71031	3.5
141.06998	5.7
142.07782	9.7
143.07600	4.2
143.08575	34.5
145.10126	35.2
146.09711	5.0
147.11713	5.6
148.07578	4.5
152.03433	4.7
154.04951	16.2
155.08525	9.5
156.09302	5.9
157.10112	27.6
158.04512	18.2
158.10883	4.3
159.11717	16.9
160.07542	4.6
160.11189	3.3
162.05493	12.8
162.09221	3.9
167.08536	7.1
168.09326	6.7
169.10133	11.7
170.10994	5.6
171.11659	14.5
173.13275	70.8
174.09059	3.7
176.05594	5.1
177.85417	3.4
178.04985	33.7
179.08580	5.0
180.06595	8.7
181.10135	7.6
182.10826	4.3
183.11708	23.3
185.13300	21.1
187.14705	4.6
188.05568	4.3
191.14290	6.9
192.06537	9.5
192.84914	4.0
193.10181	4.5
194.10992	5.8
195.11688	11.6
197.13293	5.3
199.14781	9.9
206.08113	3.9
208.12561	4.3
209.13258	31.8
223.14816	12.5
225.16393	6.7
227.14273	7.2
228.08670	8.6
239.17982	4.1
252.08684	34.0
254.10112	5.0
265.19540	38.2
266.10269	12.6
283.20581	12.6
285.17606	3.4
292.11951	6.6
304.11703	3.8
318.13126	6.0
348.18140	10.8
366.19135	100.0
440.24088	8.7
446.91275	3.3
458.25513	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01865	2.4
55.05506	5.1
57.07929	1.8
67.05485	3.7
69.03423	13.2
69.67850	7.6
70.06583	5.2
75.91963	1.7
79.05483	5.7
79.18179	1.7
81.03413	8.3
81.07050	11.3
83.04988	3.5
84.08131	3.1
85.02906	9.1
86.09713	3.8
87.00813	5.2
91.05462	7.8
93.07030	4.6
95.04961	3.2
95.08591	4.1
97.02885	4.9
99.04443	2.3
105.01872	4.0
105.07024	6.9
107.04956	3.4
107.08606	21.3
109.02888	5.3
109.06515	5.0
109.10144	6.1
117.01859	1.9
117.06998	2.7
119.08610	4.0
121.06492	1.8
121.09418	2.0
121.10164	17.6
122.07269	6.7
123.08059	5.2
127.03931	8.4
131.08553	3.1
133.10130	100.0
135.08047	5.1
135.11736	2.1
137.09618	62.9
143.08554	2.5
145.04924	3.2
145.10100	3.0
149.09666	6.1
149.13261	13.5
151.11191	31.3
159.02881	3.5
163.14835	3.0
165.12738	21.7
173.13263	8.2
191.14304	56.8
193.15875	4.0
209.15363	82.4
231.04889	2.9
402.62949	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12917	1.7
54.62244	1.8
55.05507	3.2
61.00875	1.9
67.05523	4.5
69.03420	6.2
69.07063	2.6
69.24813	1.7
69.91808	5.4
69.92203	2.8
70.06598	3.2
72.08136	3.7
79.05487	4.6
81.07060	5.5
82.49432	1.7
83.05034	1.9
85.02905	3.5
86.09695	9.2
91.05491	6.4
93.07052	3.9
98.64972	1.7
105.07030	5.3
107.04955	4.5
107.08601	18.0
109.02863	1.8
109.06541	3.2
109.10184	5.8
114.20512	1.9
117.07043	2.6
119.08582	3.4
121.10150	8.1
122.07272	5.6
127.03896	4.0
131.08574	3.3
133.10141	100.0
135.08072	7.4
137.09628	55.5
145.10170	2.1
149.13249	10.0
173.13257	6.5
191.14323	55.5
209.15338	3.7
213.15947	2.1
256.72018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21140	1.6
53.03951	4.5
55.01883	7.5
55.05515	14.7
55.75216	1.4
56.05032	2.6
57.03438	7.0
57.07074	3.9
59.04993	1.4
60.10150	1.4
61.02916	3.2
65.03974	2.0
67.05510	10.1
68.99802	5.0
69.03432	25.4
69.07076	11.6
70.06596	80.2
70.19278	4.6
71.01331	1.9
71.04995	8.9
72.08163	14.3
73.02918	5.0
74.06087	2.4
74.06802	1.7
79.05502	9.6
81.03423	31.0
81.07057	27.3
83.05005	8.6
83.08624	13.2
84.04514	4.9
84.08149	12.1
85.02911	46.8
85.06570	3.2
86.09713	57.6
86.10243	3.0
87.00841	17.7
87.05579	1.8
88.04004	1.9
91.03976	1.9
91.05476	8.7
93.07043	16.3
95.04974	100.0
95.08602	8.2
96.08125	1.8
97.02897	13.5
97.06535	8.8
98.09714	1.6
99.04462	30.2
102.05562	2.2
103.03957	4.8
105.01883	7.3
105.07039	16.9
107.04958	2.0
107.08602	21.4
109.02883	19.5
109.06535	12.4
109.10157	20.2
110.07162	3.1
111.04449	4.5
111.08099	8.8
113.09661	2.1
116.07090	14.5
117.01875	1.7
117.07017	3.5
119.08628	9.3
120.08122	3.7
121.06512	4.9
121.10163	14.9
123.08086	14.1
123.11732	4.3
125.06018	6.1
125.09640	6.1
127.03928	36.0
129.01860	4.2
129.05522	2.5
129.10281	8.1
131.08585	5.8
133.10141	16.9
135.08060	26.3
135.11726	2.8
137.06012	4.4
137.09599	2.2
139.07631	2.1
139.11188	7.5
141.10205	3.5
143.11734	1.8
145.04984	7.4
145.10135	4.0
147.02908	1.9
147.08023	2.3
147.11723	7.4
149.05981	3.3
149.09656	3.2
149.13295	9.6
151.07574	14.8
151.11195	3.3
153.09113	34.6
156.10284	3.3
159.02882	6.5
159.09247	1.7
159.11678	2.6
163.07547	3.3
163.11226	2.0
163.14818	2.9
165.12717	3.3
167.07005	1.9
167.14319	13.9
171.10219	1.8
173.08128	3.2
173.13264	13.8
175.14877	2.0
181.12242	5.7
183.11429	1.6
185.16554	1.5
189.03975	5.5
189.12750	2.1
191.14307	30.1
197.13077	1.9
201.12325	16.6
207.13721	7.6
209.15378	54.8
210.15656	2.4
213.12755	1.8
215.14197	1.7
218.42010	1.6
221.07814	2.3
227.16342	1.8
229.12054	9.0
229.15479	44.5
231.05066	5.5
233.15305	3.5
243.17062	3.0
275.16446	1.8
304.34070	1.7
317.17569	1.8
395.21231	1.7
421.18713	2.9
439.19656	4.1
457.20798	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	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51849	0.8
52.25378	0.9
52.71617	0.8
53.03941	2.9
55.01866	2.5
55.05503	1.7
57.03439	2.2
57.07059	1.3
59.05003	1.0
60.31171	0.8
61.02914	1.5
63.39423	0.8
66.39935	0.7
67.05486	1.7
69.03431	12.8
69.07074	2.4
70.01117	3.4
70.06594	1.9
73.02928	1.9
79.05505	2.8
81.03425	12.0
81.07067	5.1
83.04980	2.8
85.02420	1.4
85.02906	15.4
86.09720	2.9
87.00835	6.4
91.05475	2.9
93.07043	2.7
94.26017	0.8
95.04979	4.4
95.08643	4.7
97.02882	5.9
99.04456	3.9
100.29796	0.9
105.01897	4.5
105.07014	5.7
107.04959	1.4
107.08604	9.0
109.02879	7.5
109.06526	7.4
109.10172	6.2
119.08565	3.0
119.30703	1.0
120.08157	1.1
121.06477	1.0
121.10155	13.4
122.07287	3.5
123.08096	5.5
123.11709	2.1
127.03925	11.5
129.10146	1.0
131.08566	2.3
133.10138	29.2
135.08075	3.2
135.11717	1.3
137.09613	25.1
141.46053	0.8
145.04973	2.6
145.10196	0.9
147.02911	1.0
147.11658	2.1
149.09621	5.6
149.13274	6.3
151.11194	46.1
158.10951	1.3
159.02861	2.9
163.14838	1.8
165.12769	37.3
173.13293	3.4
191.14314	18.3
193.15916	5.6
209.15375	100.0
210.15784	1.2
231.05049	1.7
317.56934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93367	1.5
53.03921	2.3
55.01862	2.3
55.05497	4.2
57.07071	2.0
59.05004	1.8
67.05495	4.0
69.03433	14.0
69.07088	9.0
70.06576	2.2
71.04993	4.6
79.05469	5.8
81.03423	6.8
81.07085	11.0
83.04557	2.2
83.04990	12.8
83.08614	5.6
84.59382	1.6
85.02911	13.6
86.09712	3.1
87.00830	6.0
88.98951	1.8
91.05488	5.3
93.07030	9.8
95.04987	3.1
95.08608	25.4
97.02904	3.7
97.06546	4.2
99.04452	2.6
99.08091	5.4
105.01855	3.0
105.07020	7.4
107.04908	1.7
107.08598	35.9
108.79484	1.7
109.02886	5.5
109.06554	10.6
109.10162	20.3
111.08046	2.9
117.51485	1.6
118.80849	1.8
119.08566	5.4
121.06499	6.3
121.10143	41.4
122.07275	2.8
123.08083	5.1
123.11710	3.3
125.09611	16.6
127.03911	6.5
131.08580	7.7
133.10098	16.6
135.08054	15.3
135.11731	5.6
137.09610	14.9
139.11191	3.9
145.04922	2.0
145.10211	2.2
147.11693	11.2
149.09612	13.9
149.13254	16.6
151.11191	100.0
153.09138	3.1
158.10953	3.6
163.14816	16.7
165.12779	6.3
167.10765	3.1
173.13284	19.4
191.14313	98.4
192.14627	3.2
196.41348	2.1
209.15373	88.4
256.68561	1.9
294.23199	1.7
295.50885	1.8
342.88272	2.6
349.70987	2.0
356.65921	2.2
409.96738	2.0
412.52750	2.1
416.44272	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	456.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58470	0.8
53.03956	7.1
55.01872	4.5
55.05511	2.3
57.03439	4.7
60.04520	2.3
61.02937	4.5
67.05504	1.8
68.05030	0.9
68.99792	1.0
69.03434	28.8
69.03810	1.7
69.07068	1.5
69.48540	5.1
69.48950	1.7
70.06252	1.5
70.06598	19.8
70.55328	0.9
71.04988	3.1
72.08155	7.1
73.02924	5.5
74.00662	7.7
74.52520	0.8
80.62237	0.9
81.03422	28.6
81.07047	1.5
83.01814	1.1
84.04496	5.2
84.08147	9.2
85.02430	1.8
85.02912	29.8
86.09715	14.0
87.00365	1.4
87.00839	13.6
87.04476	1.4
88.03986	1.7
89.35050	0.9
91.03951	1.5
91.05469	3.7
93.05818	1.1
94.06552	1.5
96.04487	1.5
97.02901	15.8
99.04454	10.6
101.02367	0.8
102.05534	1.1
104.98329	1.8
105.01859	5.6
105.07032	4.9
106.05015	1.3
107.08556	2.2
108.08117	7.4
109.02885	24.2
109.08941	1.2
109.10139	1.6
110.06075	1.7
110.07153	2.8
112.03954	1.4
117.01868	2.2
119.07311	2.2
119.08604	7.6
120.08109	5.5
121.08899	2.8
121.10184	2.2
122.09643	4.0
126.02473	1.5
127.03927	30.5
127.08633	0.9
129.01842	2.1
129.10248	4.2
130.05013	1.0
131.08575	2.5
133.10139	3.2
134.06023	1.8
134.09650	4.5
135.10435	3.7
135.11719	1.0
136.07637	1.8
136.11214	4.1
138.05533	1.6
138.09160	2.1
139.09505	1.2
140.07062	1.4
141.10225	1.1
145.04953	7.2
145.10121	1.2
146.09654	2.0
147.02893	1.1
147.10670	0.9
147.11707	6.5
148.02481	5.6
148.11194	10.1
149.13248	1.2
150.12787	100.0
156.06575	4.1
157.06931	1.9
158.10905	1.7
159.02893	7.0
160.11243	3.8
163.13487	1.4
164.14368	10.4
171.11676	1.0
173.13257	4.1
174.98849	1.9
175.13544	1.8
183.14972	2.2
185.09851	11.2
187.06046	5.8
189.11140	1.3
189.12784	1.1
190.08545	1.1
190.15907	35.0
192.17493	19.7
208.16954	8.7
211.14439	1.7
229.09111	1.0
230.11418	1.5
231.04953	1.1
233.12907	1.3
234.13103	1.6
244.12883	1.6
258.13147	2.8
263.05151	3.5
276.14240	1.4
294.15253	1.6
315.13364	2.6
351.92279	0.9
367.04391	1.0
368.20657	3.1
392.09656	1.3
412.23373	24.8
428.21799	1.4
456.22302	94.9
457.22656	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	456.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00608	4.4
58.99580	5.4
67.05492	9.0
67.17418	4.6
70.06598	34.7
71.53244	9.3
72.08139	5.6
73.01140	14.4
76.02218	7.6
84.04498	13.8
84.08109	6.6
85.02932	5.2
85.98452	4.2
86.09706	14.5
96.08086	4.5
99.02686	8.2
104.98312	4.8
105.07015	7.0
105.55775	5.6
116.05299	7.8
116.07021	5.5
120.08121	6.7
129.10234	7.1
130.38089	4.6
145.08867	6.8
160.11212	12.2
162.02199	6.7
164.06996	6.8
165.07799	8.1
170.08131	9.3
179.04820	12.5
179.44392	5.4
196.04283	9.4
202.05417	6.4
206.11758	100.0
219.07913	6.2
228.01396	6.1
286.98480	5.4
296.53738	5.0
308.09073	8.2
412.96094	5.7
448.97855	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	456.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.1
56.05037	0.9
58.06607	2.8
58.99594	2.9
59.96726	0.9
61.00874	0.4
61.01150	2.1
68.05041	0.6
69.23080	4.6
70.06603	2.2
73.01147	100.0
74.00670	5.7
74.02442	0.9
75.02708	8.1
76.02232	8.2
76.04008	1.0
80.05045	0.4
81.07069	0.6
82.06593	0.4
83.06090	0.4
84.04510	19.6
84.08148	1.6
85.04014	2.0
86.06076	0.5
86.09703	0.7
86.99026	0.5
92.01713	0.8
96.08139	3.8
98.21523	0.9
99.02690	6.0
104.98324	4.0
106.97904	1.5
106.99873	2.8
107.99417	4.6
110.06054	0.6
112.03974	4.5
113.03526	0.9
115.02684	0.4
116.01679	3.0
116.05327	9.2
116.07077	4.0
117.07365	23.3
124.07576	3.4
126.09175	0.4
129.06642	0.6
130.05017	13.9
131.04564	1.7
142.03259	1.0
142.08698	2.1
144.01187	1.4
144.04907	0.5
148.02477	3.0
149.04555	26.2
156.06595	0.9
160.00722	0.5
162.02220	4.5
170.02748	0.5
170.08139	18.2
170.09579	0.9
174.00529	0.8
177.03291	6.7
179.04869	9.8
181.06165	0.8
182.06274	0.5
188.02016	0.6
202.05354	6.2
211.02086	9.6
212.97485	0.4
213.12415	1.1
219.07974	15.5
231.04376	0.6
233.06032	1.6
234.02785	0.5
245.06158	1.1
245.09686	0.9
251.05205	10.2
251.07611	0.7
265.03073	2.2
273.09155	1.8
305.06146	2.5
306.07489	0.5
308.09119	3.1
323.03760	0.6
340.06323	2.2
348.12201	4.3
380.09354	4.2
381.09976	0.7
456.12695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.1
53.90509	4.8
55.01870	7.6
55.05502	11.1
57.03444	9.4
57.07066	5.6
58.06583	6.8
61.01135	5.6
61.02914	5.2
67.05505	28.2
68.99761	4.9
69.03438	31.4
69.07059	18.6
69.34096	18.4
69.34521	24.1
70.06597	80.6
71.04985	6.4
72.08168	26.0
73.01137	7.5
74.00675	5.4
79.05484	17.2
79.49259	5.2
81.03427	35.3
81.07065	9.0
83.04983	21.6
84.04514	28.9
84.08139	34.2
85.02906	49.0
85.06557	14.9
86.09710	50.5
87.00810	16.8
91.05472	20.4
93.07044	18.7
95.04976	10.7
95.08616	89.4
97.02902	22.4
99.04433	12.5
102.05511	6.7
103.05499	4.9
104.98307	7.6
105.01890	7.6
105.07036	28.2
107.08620	23.4
107.99407	6.2
109.02878	42.2
109.06538	14.6
109.10152	9.1
109.98981	9.6
110.07156	19.8
111.04463	4.5
112.08733	6.1
113.01806	5.4
113.04230	13.6
113.06002	8.7
114.04562	8.9
115.03838	5.3
116.05381	5.6
117.07034	7.3
119.08569	35.1
120.08109	14.9
121.06502	15.1
121.10175	22.9
123.08059	35.3
123.11678	6.4
127.03923	37.7
129.06976	6.4
129.10269	21.8
130.04984	17.5
131.05304	4.7
131.08575	9.8
133.06494	10.5
133.10127	21.2
135.08096	6.7
135.11688	9.8
136.07585	8.8
137.06035	6.4
137.09660	8.2
143.08588	4.5
145.10130	13.2
147.00993	4.6
147.08026	16.9
147.11658	20.2
149.05972	9.4
149.09650	68.4
151.07510	8.2
151.11183	8.2
155.08380	5.6
159.02870	6.0
159.08015	11.1
161.09598	11.5
161.13255	17.4
163.11169	27.3
165.09065	6.9
165.12784	14.1
170.08156	11.4
171.08438	7.5
171.11720	6.4
173.09483	6.3
174.05417	5.1
174.10440	20.8
175.11140	6.3
183.08224	6.2
187.11156	7.3
189.09122	8.6
189.12770	83.7
191.14326	49.3
201.09296	8.0
205.12259	11.3
207.10219	17.9
207.13824	100.0
213.01717	5.6
213.12500	5.0
231.13869	6.9
255.07695	5.2
275.13635	5.5
293.14807	6.5
411.11057	9.7
437.17715	8.2
455.19055	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2929
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
50.38812	0.3
50.39473	0.4
54.52785	0.3
55.05518	2.1
55.71351	0.4
57.03197	0.3
57.03444	4.5
57.07079	22.5
59.79042	0.3
62.06092	24.3
67.05508	4.6
69.06783	0.3
69.07076	4.3
69.62081	2.3
71.08636	15.4
72.31349	0.4
76.65508	0.3
79.05471	0.5
81.07065	6.2
83.08633	4.0
85.06597	0.5
85.10185	8.8
89.06023	1.0
93.07056	0.6
95.08612	8.4
97.10181	2.5
98.98470	6.9
103.07592	0.5
109.10179	4.5
111.11736	0.5
113.04185	0.4
116.28859	0.3
122.01443	0.3
123.11714	1.3
124.01595	1.4
137.13275	0.9
142.02654	1.6
155.01054	7.4
155.02333	0.4
173.02129	0.5
198.05283	1.4
216.06352	3.1
239.23689	1.7
248.31342	0.4
257.24713	0.4
282.25488	0.3
282.27924	12.8
313.27380	100.0
314.27707	2.2
393.24121	5.5
436.28238	2.6
454.29187	1.0
454.34985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
54.07951	0.6
54.22648	0.6
55.05511	4.5
57.03447	7.9
57.07082	26.3
62.06080	0.9
67.05510	6.4
69.07070	5.3
69.62282	1.4
69.62692	3.1
70.06593	1.2
71.05000	0.8
71.08636	18.0
71.96030	0.6
73.01126	1.0
79.05478	0.9
81.07070	8.3
83.08616	5.1
85.10192	8.7
85.14925	0.6
88.07617	1.2
89.06019	2.3
95.08616	11.4
97.10161	2.6
98.21448	1.2
102.09188	1.2
103.07554	0.6
104.98318	1.0
105.07019	1.1
109.10155	4.5
113.04240	1.7
117.72268	0.6
123.11716	2.0
125.90305	0.7
136.95393	0.8
137.13225	0.8
149.13220	0.7
153.07022	1.0
155.81627	0.6
181.06544	4.2
225.09166	4.1
239.23656	1.7
256.26385	4.3
257.24799	1.2
282.27899	3.4
313.27386	100.0
314.27707	1.9
454.33371	5.1
465.69214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01871	7.6
55.05514	5.6
56.05035	2.9
58.06595	8.4
58.99590	46.5
59.96728	1.5
61.01154	41.3
67.05511	2.4
68.05027	3.8
69.03420	1.2
69.07066	4.3
70.06586	3.6
70.82655	2.8
70.99576	3.9
73.01143	33.5
74.00665	25.2
74.01086	1.0
76.04016	4.5
79.05494	15.9
81.07061	66.3
83.07355	3.0
83.08620	5.1
84.04508	58.9
84.08144	9.5
85.01141	1.5
85.02902	2.0
85.04034	10.8
86.06036	1.0
87.02689	8.0
90.03859	1.0
90.96750	1.2
92.01722	5.1
96.08132	15.6
99.02711	1.3
100.11275	2.4
101.04256	6.4
104.98319	100.0
107.99401	21.3
110.06035	3.6
111.44095	1.1
112.03976	8.1
113.03501	4.4
113.04240	6.4
114.03770	3.5
115.05797	97.2
116.01680	2.9
116.07093	8.0
121.92890	1.0
124.07597	15.0
126.09187	3.0
129.06619	2.2
130.05005	63.0
130.99878	1.6
131.04529	12.5
142.08664	8.5
147.02971	29.1
148.02495	17.9
148.03569	1.3
156.06598	2.3
160.00613	2.2
162.02199	2.7
170.08127	58.3
174.00439	4.1
176.01984	1.8
177.03293	43.5
181.06087	4.0
185.03807	3.1
188.02052	5.0
201.99954	2.3
211.02078	35.9
213.12396	6.1
217.06412	9.8
219.08109	1.0
231.04213	1.6
234.02553	3.3
251.05199	67.8
265.03076	8.7
288.06442	1.8
289.04974	1.6
291.08368	2.0
305.06223	13.3
306.07605	2.4
323.03616	2.2
325.07108	3.7
340.06268	7.4
362.08423	1.4
379.08011	1.9
380.09445	16.4
454.11340	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	454.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39272	0.4
53.26971	0.5
55.01878	2.1
55.05502	1.7
56.05032	1.3
57.98794	0.4
58.06597	5.0
58.91723	0.4
58.99590	14.3
59.96724	0.8
61.01154	34.5
65.03929	0.6
67.05489	1.1
68.05026	0.9
69.07070	1.8
70.06593	2.9
70.30919	1.0
70.31287	0.9
70.99575	2.9
73.01141	17.3
74.00665	3.6
74.02428	1.0
76.02230	17.5
76.04002	1.5
79.05497	1.8
80.86126	0.4
81.07060	3.8
82.06583	1.3
83.08624	6.0
84.04509	28.4
84.08141	1.2
85.01104	0.6
85.04041	1.0
85.23867	0.4
86.99061	1.3
87.02689	5.1
88.02240	0.7
92.01692	0.5
96.08126	4.9
99.02685	11.7
101.03625	0.8
101.04241	8.2
102.96775	0.5
104.98318	100.0
107.99422	1.1
109.83177	0.4
112.03974	6.1
113.03481	0.6
113.04219	5.7
114.03793	0.6
114.04998	0.7
115.05810	4.0
116.01684	5.4
116.05319	19.1
116.07082	5.7
124.07581	5.6
126.09158	1.0
130.05000	6.7
131.04517	0.8
142.03235	2.7
142.08623	3.7
144.01129	2.9
144.04756	0.7
147.02974	32.8
148.02484	1.4
160.00667	1.1
162.02196	7.5
170.02724	0.7
170.08125	27.0
177.03287	4.2
179.04851	17.6
182.06509	0.5
182.15427	1.0
187.05408	0.8
202.05342	12.1
210.14897	1.1
211.02032	2.4
213.12363	0.9
219.07988	31.5
222.04414	0.5
229.06459	0.7
233.05904	4.0
245.05975	1.4
245.09526	2.3
250.65121	0.4
251.05180	6.0
255.08090	0.6
273.09039	4.2
291.06604	1.2
305.06223	1.3
308.09149	3.6
325.07196	0.7
330.11227	0.9
348.12234	8.0
379.07886	0.9
380.09521	1.2
454.11377	0.9
454.33267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36953	0.4
55.01865	4.7
55.05516	2.1
56.05037	7.5
57.03415	0.4
58.06605	8.3
58.99592	17.1
59.96735	0.6
61.01154	14.2
63.19784	0.4
65.03945	0.5
67.05505	1.9
68.05035	6.0
69.03433	1.8
69.07072	3.0
70.02972	0.5
70.06596	7.9
70.53522	1.0
70.99584	1.8
72.00365	1.0
72.08175	3.0
73.01147	18.9
74.00671	10.0
74.06101	0.4
74.09740	0.6
75.02718	1.2
76.02233	11.7
76.04018	2.4
79.05495	3.6
80.05017	0.8
81.07063	13.6
82.06584	1.5
83.06120	0.8
83.07376	0.8
83.08631	1.7
84.04510	100.0
84.08149	9.1
85.02907	1.5
85.04027	3.4
86.06075	1.1
86.09704	4.4
86.99053	1.3
87.02706	3.5
88.02216	1.0
88.03996	0.6
90.96770	0.6
91.05459	0.4
92.01705	1.6
94.06602	1.1
96.04458	0.8
96.08135	33.9
97.08514	0.4
98.06059	0.6
98.09702	1.0
99.02689	7.0
100.11257	2.3
101.04259	3.0
102.96749	0.6
104.98324	54.3
106.99873	0.8
107.99411	8.5
110.06053	2.2
110.07221	1.0
112.03983	7.9
112.07615	0.9
112.08759	0.7
113.03481	1.4
113.04243	3.1
114.03765	2.9
114.05566	1.0
115.05798	20.6
116.01689	7.3
116.04541	0.9
116.05328	10.5
116.07109	6.6
120.08097	1.6
124.07599	26.8
125.10722	0.5
126.03778	0.6
126.09161	6.3
129.06607	0.9
129.10245	1.8
130.05014	23.6
130.99883	0.9
131.04544	3.9
139.03230	0.4
142.03244	4.1
142.08652	18.6
144.01152	3.3
144.04814	1.0
145.06122	0.7
147.02980	15.1
148.02515	6.6
153.06627	0.6
156.06583	2.5
158.65622	0.4
160.00653	1.3
162.02203	9.3
164.98616	1.3
169.09808	0.5
170.08133	98.1
171.08469	1.0
174.00441	3.4
176.01926	0.7
177.03297	14.6
179.04861	16.1
181.06145	1.1
182.01215	1.1
182.15468	0.8
183.07703	0.5
185.03770	0.8
187.10764	2.1
188.01999	1.6
195.11435	0.5
201.99939	2.4
202.05341	8.6
211.00047	0.5
211.02075	14.4
213.12340	2.7
217.06389	2.4
219.08002	19.9
227.08531	0.5
231.04388	1.0
233.05933	1.2
234.02489	1.1
245.05896	2.2
245.09595	2.4
248.00526	0.8
251.05208	27.2
255.08134	0.5
259.05762	1.7
265.03146	2.6
273.09018	4.3
277.03131	0.7
285.04010	5.6
289.04669	1.1
291.06271	1.0
305.06223	10.9
306.07425	0.9
308.08932	1.5
323.03595	1.4
325.07108	2.1
330.11249	0.6
331.09418	0.9
340.06198	1.8
346.10547	1.5
348.12204	7.9
351.08740	2.8
363.06845	0.6
379.08078	1.9
380.09503	5.5
388.15320	0.7
397.05450	0.7
435.33511	1.0
453.34738	2.2
454.11563	4.3
454.17355	0.9
454.34406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05516	3.0
56.05036	4.1
58.06603	8.2
58.99588	8.2
59.07372	1.5
60.07878	2.2
60.08168	34.2
61.01152	6.9
68.05017	2.4
69.03432	1.8
69.07070	3.1
69.70418	7.0
70.06583	7.4
72.08150	2.5
73.01127	5.6
73.08957	1.7
74.00668	7.2
75.02728	1.3
79.05488	3.6
80.05030	1.4
80.65002	1.2
81.07066	10.7
82.06584	2.5
83.08628	1.6
84.04507	43.5
84.08154	6.5
85.02911	1.4
85.04019	3.0
85.24673	1.2
86.00658	3.8
86.09711	7.8
87.02723	1.5
90.16770	1.2
94.05746	1.0
94.06567	1.7
96.08134	15.2
96.29025	1.1
97.01135	4.3
99.02654	1.6
100.07629	6.8
100.11254	8.0
102.09177	13.1
103.06304	2.0
104.98316	20.0
105.40250	1.1
107.99406	4.7
109.07653	3.2
110.07191	1.2
110.08400	2.5
111.02667	25.6
111.04435	1.2
111.51240	1.1
112.03408	1.8
113.01719	27.9
113.02455	2.4
113.04221	5.3
114.02496	2.0
114.03802	2.1
115.03285	2.7
115.05804	16.3
116.07101	2.6
118.08659	26.7
119.95895	1.0
120.00636	1.3
120.08097	2.8
124.07603	9.5
126.09193	3.6
127.03212	1.3
129.03734	1.7
129.10248	2.1
130.05029	15.4
130.99815	1.5
131.04503	2.0
137.01657	2.3
138.02480	1.7
138.03482	1.0
141.01180	16.4
142.01988	4.4
142.08636	6.8
142.99864	1.7
143.02759	15.7
147.02968	4.0
148.02496	5.0
154.05617	1.8
155.06416	5.9
156.06564	2.1
162.02234	2.7
167.05148	1.3
168.05920	11.0
169.06693	3.9
170.08153	42.9
174.00482	1.5
177.03291	9.6
182.15408	2.3
183.05879	20.8
183.08243	1.5
187.10718	1.4
188.02011	1.8
189.01553	3.3
194.07632	1.6
201.09328	15.0
202.10135	6.7
209.09792	7.6
209.16467	2.7
210.14833	2.3
211.02063	9.7
217.06279	1.3
224.12164	9.6
239.03084	17.6
242.13231	39.8
251.05223	21.5
253.04675	14.5
265.03113	1.6
265.07007	1.6
266.07950	2.3
275.07516	2.2
279.08377	1.4
280.09369	11.8
285.04120	2.8
291.08423	1.2
294.10968	1.7
298.10437	14.4
305.06210	5.3
312.12131	6.9
323.03702	1.5
330.12994	1.6
340.06305	2.0
346.10605	1.4
358.88037	1.5
377.07217	2.6
380.09448	4.7
392.09567	38.1
410.10596	100.0
411.10724	1.3
435.33121	1.4
453.34540	6.0
454.09778	11.1
454.34912	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	454.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	90.5
60.90061	1.5
66.80190	1.4
67.83779	1.3
70.48849	1.3
70.49187	3.4
71.95258	3.1
74.97614	2.5
77.54334	1.3
84.96039	19.5
88.93750	9.6
90.69629	1.4
97.02873	1.9
98.97598	18.5
100.45800	1.5
102.97090	2.6
110.07185	2.7
110.97569	8.4
112.99117	5.9
114.77168	1.6
115.00693	1.6
116.93216	3.9
116.98634	6.7
121.47688	1.3
128.96846	3.2
128.98579	6.2
131.00165	5.6
133.01718	5.2
133.46397	1.6
134.99637	2.2
136.07527	1.7
140.98430	1.5
143.00197	1.7
145.03345	1.6
146.97882	92.1
146.99640	2.4
148.99409	1.5
149.01253	2.0
158.99644	4.8
161.01256	4.0
164.98958	100.0
167.00557	2.6
170.99608	1.9
172.01027	2.5
175.02803	2.8
177.00691	5.3
183.00017	18.2
188.99008	1.7
190.02103	9.7
195.52310	2.0
201.00665	2.1
208.03119	3.4
215.99940	2.7
217.03812	3.2
219.01811	17.3
234.01091	46.7
237.02838	19.5
248.02489	1.8
252.02151	54.3
255.03951	1.6
276.02148	7.3
277.05923	9.6
282.54697	1.7
294.03244	2.0
295.07034	28.5
295.10300	1.9
334.02637	13.3
362.02161	27.8
362.12659	1.9
364.09140	24.0
366.05307	3.5
367.07986	4.8
380.03024	2.3
392.03223	5.2
422.04254	4.7
437.07843	2.1
454.10519	86.7
455.10178	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	453.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	33.2
64.75598	6.4
67.05508	17.4
69.03446	8.0
69.07072	14.7
69.59676	31.9
69.60091	15.2
71.04988	19.1
73.01144	7.5
79.05493	20.5
81.07061	28.5
83.04971	12.6
83.08624	26.0
85.06547	9.8
91.05480	21.2
93.07059	25.3
95.04980	10.9
95.08601	27.2
97.06507	12.8
99.04457	31.7
100.11219	7.2
104.98330	10.8
105.07059	41.9
107.08619	51.6
109.06528	89.4
109.10159	8.7
113.04211	32.3
113.05982	7.0
113.09650	11.5
115.05713	6.1
117.07045	10.5
119.08599	28.9
120.67563	6.5
121.10151	22.7
123.08042	34.0
123.11688	7.6
125.09683	11.4
128.06250	8.2
129.06984	6.7
131.08591	30.0
133.10162	18.0
135.08060	10.0
135.11676	9.2
137.09650	9.2
139.11171	11.5
142.07800	8.1
143.08554	19.2
145.01425	15.8
145.10129	40.4
147.08122	7.3
147.11690	11.3
149.09648	11.4
154.07739	7.7
155.08603	13.8
155.10713	9.4
156.09412	11.0
157.10162	30.7
159.11699	8.0
165.12744	8.7
167.08578	11.7
167.10750	17.7
169.10126	30.7
171.11688	27.3
173.13487	8.8
179.08601	13.0
180.09399	10.1
181.10152	8.9
181.12334	17.9
183.11726	26.3
183.13843	14.5
185.13277	11.1
189.12671	11.0
194.10901	7.9
195.11717	19.9
196.57455	7.7
197.13313	14.0
209.13326	33.2
213.12827	17.9
225.14799	100.0
227.14326	9.8
249.16180	8.9
263.65958	7.0
267.17490	20.3
435.28882	23.2
453.29489	13.9
453.34802	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	449.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
56.05030	0.2
57.03431	0.2
59.18962	0.1
60.04524	0.2
61.02919	0.2
61.54669	0.1
63.75502	0.1
65.03923	0.2
65.56591	0.1
67.01868	0.2
68.99786	0.7
69.03413	0.5
69.07049	0.1
70.06249	0.2
70.06593	2.2
70.13239	0.1
71.04988	0.2
71.55216	0.2
72.08137	0.5
73.02886	0.1
74.06070	0.3
79.05488	0.1
81.03400	0.5
84.04494	0.5
84.08127	0.6
85.02908	2.2
86.09715	1.2
88.03974	0.2
89.03895	0.3
95.04981	0.2
97.02882	0.6
105.03342	0.4
106.06570	0.2
107.04935	0.5
109.02880	0.7
111.00800	0.9
111.04410	0.2
116.07086	0.2
117.03359	0.3
119.78046	0.1
120.08096	0.5
121.02866	6.2
127.03922	1.5
129.10222	0.3
132.10190	0.2
132.95789	0.2
133.02856	0.6
135.04375	0.3
136.40514	0.1
137.02327	1.1
137.05960	0.2
144.06667	0.1
145.02859	0.6
145.04964	0.3
145.06479	0.2
147.04419	0.9
153.01831	4.1
157.06436	0.5
157.07635	0.2
158.97391	0.2
161.05963	0.2
165.01845	1.7
167.07062	0.3
171.02933	0.2
171.04497	0.3
175.03966	0.1
177.05478	1.1
183.02921	1.0
185.05968	0.5
186.96907	0.2
189.05498	0.3
197.06023	0.2
197.12863	0.2
201.05444	0.2
203.03424	0.2
203.07033	0.2
210.96933	0.2
213.05470	1.6
216.97879	0.2
225.26967	0.1
231.06479	0.7
231.09763	0.9
234.98946	0.9
241.04933	1.1
245.04422	0.3
258.05252	1.2
259.05957	0.5
263.05789	0.2
269.04477	0.2
277.00034	0.4
287.05490	100.0
288.05807	1.9
329.06525	0.3
379.03146	0.4
439.05621	0.2
449.10742	2.4
451.41602	0.1
474.79846	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	452.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63096	1.6
55.05517	12.7
57.03443	10.3
57.07068	5.1
67.05502	10.9
67.96737	1.4
69.07074	25.4
71.07419	3.2
71.08616	2.9
73.01153	2.0
75.34388	1.4
79.05503	4.7
81.07070	12.4
83.08614	11.7
91.05508	1.7
93.07056	6.8
95.08611	12.4
97.06534	1.8
97.10168	6.3
107.08604	4.3
109.10163	4.8
113.04252	7.0
121.10153	7.3
123.11759	2.3
135.11684	6.9
136.95442	1.9
137.06017	2.3
139.11154	1.8
140.13976	1.9
145.10065	2.1
149.13301	2.0
162.69603	1.7
172.95273	2.5
280.26376	3.5
311.25821	100.0
312.26227	3.4
316.28397	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	452.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69662	2.9
55.05511	17.3
57.03433	4.9
57.07072	6.0
60.02839	2.8
62.06091	24.6
67.05508	15.3
69.07069	25.6
69.17100	3.1
70.87067	2.6
71.13181	5.2
71.13519	3.3
71.49593	2.3
77.58372	3.1
79.05482	5.7
81.07071	13.7
83.08621	14.6
93.07037	8.1
95.08595	9.7
97.10160	9.3
98.98463	7.9
107.08627	4.4
109.10157	4.4
113.04227	13.9
121.10131	6.8
121.99493	2.8
123.11718	4.8
135.11723	3.3
137.05960	3.8
150.60059	2.9
155.01073	8.6
159.81314	2.9
193.56696	2.9
237.22096	7.7
280.26355	12.5
311.25815	100.0
368.70874	2.8
434.26904	3.5
454.07230	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	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01885	0.1
65.03925	0.2
68.99786	0.7
69.33022	0.1
69.90158	0.7
70.06590	0.3
79.05482	0.2
82.96433	0.1
85.02896	0.4
86.09696	0.3
95.43374	0.1
103.05499	0.2
105.03387	0.4
107.04945	0.6
109.02863	0.4
111.00803	1.0
121.02876	3.1
127.03918	0.2
133.02875	0.4
135.04456	0.2
137.02367	1.1
138.72800	0.1
145.06444	0.2
147.04393	0.6
149.70717	0.1
153.01830	5.2
157.06467	0.6
157.55675	0.1
161.05995	0.2
165.01840	1.9
169.18527	0.1
171.04506	0.3
183.02879	1.0
185.06013	0.4
189.05486	0.2
203.07011	0.2
213.05501	1.6
231.06490	1.0
241.04980	1.0
243.06485	0.2
258.05240	1.5
259.05994	0.6
269.04462	0.3
287.05499	100.0
288.05838	2.1
449.10730	0.5
463.33414	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.14355	0.2
68.99492	0.2
68.99790	0.8
70.06589	0.6
70.37242	0.3
72.08145	0.6
79.05465	0.3
84.08133	0.2
85.02917	0.2
86.09703	0.3
87.32218	0.1
90.04771	0.2
95.04987	0.2
97.02885	0.1
99.98370	0.1
104.36084	0.1
104.60629	0.1
105.03397	0.5
107.04942	0.4
109.02891	0.4
110.07197	0.2
111.00829	0.9
120.08072	0.3
121.02879	3.3
127.03912	0.2
129.10306	0.2
133.02866	0.7
135.04433	0.2
135.86455	0.1
137.02364	0.9
137.03249	0.2
138.77257	0.1
145.06458	0.2
147.03363	0.1
147.04399	0.7
153.01842	4.7
157.06502	0.5
158.47427	0.1
162.81757	0.2
165.01848	2.0
171.04462	0.4
183.02859	1.1
185.05960	0.6
189.05566	0.1
213.05455	1.6
231.06520	0.6
241.05009	1.0
243.06450	0.2
244.40060	0.2
258.05252	1.6
259.06085	0.5
287.05508	100.0
288.05844	2.7
338.75742	0.2
449.10696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-O-glucoside
Peak:m/z	Relative Intensity
52.77317	0.1
55.01878	0.1
56.05028	0.3
57.03429	0.2
58.43929	0.1
61.02925	0.1
68.99802	0.8
69.03417	0.4
69.07088	0.2
70.06596	1.6
70.85072	0.2
70.85393	0.2
72.08149	0.6
74.06073	0.2
77.47093	0.1
79.05490	0.3
81.03452	0.1
84.04474	0.2
84.08168	0.9
85.02913	1.5
86.09719	1.3
88.03975	0.2
97.02879	0.2
103.05492	0.2
105.03376	0.5
107.04948	0.4
109.02867	0.6
111.00838	0.9
120.08086	0.3
121.02876	3.2
127.03914	0.5
129.07013	0.2
129.10239	0.4
133.02888	0.7
135.04408	0.2
137.02339	1.0
138.64548	0.1
145.05037	0.2
145.06479	0.3
147.04449	0.8
153.01843	5.2
157.06490	0.6
159.11356	0.2
161.06010	0.2
165.01852	2.6
171.04454	0.4
183.02875	0.9
185.05931	0.6
187.14384	0.2
197.06026	0.2
213.05490	1.8
229.05078	0.2
231.06583	0.8
241.05020	1.1
243.06531	0.1
258.05283	1.5
259.06042	0.6
287.05511	100.0
288.05814	2.4
299.05560	0.5
325.06787	0.1
329.06677	0.7
353.06699	0.3
383.07843	0.2
413.08704	0.2
449.10843	2.4
468.82568	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01852	0.8
55.05511	0.5
56.64698	0.2
57.02807	0.2
57.03423	0.9
61.02938	1.7
64.68504	0.3
68.99786	1.1
69.03436	3.4
70.06593	3.8
71.04987	0.4
71.06924	0.3
71.55000	0.3
72.08163	1.6
77.74444	0.2
79.05495	0.5
81.03427	1.6
84.04471	0.4
84.08140	3.0
85.02909	9.3
86.03207	0.2
86.09701	2.2
87.04459	0.3
87.61236	0.2
91.03954	0.5
91.05484	0.5
97.02895	3.4
99.04449	0.5
105.03342	0.3
107.04987	0.5
109.02891	0.9
110.07200	0.3
111.00794	0.7
117.57378	0.3
118.06864	0.4
120.08089	1.3
121.02863	3.5
121.10146	0.3
127.03934	1.6
129.10272	1.4
130.06506	0.4
133.02863	0.5
136.07538	0.7
137.02333	0.9
145.04977	1.8
145.06480	0.3
147.04401	1.0
153.01831	4.6
157.06479	0.7
159.09132	0.5
161.05956	0.3
165.01851	2.2
183.02876	1.2
185.06055	0.5
194.37421	0.3
213.05417	1.6
227.54936	0.3
231.06514	0.9
241.04958	0.7
246.14938	0.3
258.05252	0.9
259.05988	0.5
261.16043	0.3
287.05505	100.0
288.05853	2.3
299.05478	0.4
313.28665	0.3
329.06656	0.5
365.58798	0.3
449.31250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03939	0.6
54.61013	0.1
55.01862	0.7
57.03425	0.7
60.50314	0.2
61.02930	1.4
65.03936	0.2
68.99804	0.9
69.03433	3.3
70.06572	0.3
71.05000	0.4
71.26711	0.3
72.08141	0.2
73.02924	0.3
79.05484	0.3
81.03431	1.5
83.01349	0.2
85.02913	9.2
86.09705	0.3
87.04454	0.3
91.03967	0.4
92.93288	0.2
97.02902	3.2
99.04456	0.4
105.03387	0.3
107.04959	0.5
109.02898	1.0
111.00814	0.9
121.02876	3.3
127.03912	1.9
133.02844	0.6
135.04375	0.2
137.02327	1.0
141.07076	0.2
145.04965	1.6
145.06477	0.3
147.04422	0.7
153.01839	4.8
157.06525	0.6
161.05960	0.2
165.01878	1.9
171.04411	0.3
171.52997	0.2
183.02911	0.7
185.06027	0.6
213.05505	1.5
231.06523	0.8
241.04843	0.9
258.05206	1.4
259.06027	0.6
272.06305	0.3
273.06567	0.5
286.04773	0.2
287.05518	100.0
288.05798	1.7
368.49857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.9888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.2
55.05510	7.6
57.03445	4.4
67.05505	8.9
69.03436	43.5
69.07061	13.6
70.06602	25.9
73.01133	6.0
79.05493	15.1
81.03429	8.5
81.07067	11.5
84.04498	5.7
84.08136	14.2
85.02921	39.1
86.09708	17.2
93.07043	8.1
94.06589	3.9
95.01337	56.2
95.04965	10.2
95.08614	8.7
97.02913	4.0
97.06516	13.1
100.11246	8.7
105.07028	8.3
107.04958	6.0
107.08601	8.6
108.41666	4.0
110.07174	7.5
111.04476	4.8
113.04249	48.7
113.05992	5.5
114.04584	6.8
118.06560	10.2
119.08562	5.4
120.08180	5.7
125.06010	50.8
126.35596	3.9
127.03959	5.9
129.03761	4.1
129.10255	5.5
131.08575	5.6
133.10120	6.6
143.07088	7.3
153.05463	55.0
160.92200	6.8
161.13278	3.9
164.07033	5.6
165.07707	3.9
187.06096	4.5
196.04268	35.4
197.04578	32.6
215.03523	8.5
215.05542	100.0
287.05511	34.4
327.86404	4.3
449.28525	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	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03944	0.7
55.01870	0.4
57.03439	0.7
61.02918	1.3
68.99811	0.4
69.03430	2.5
70.81892	0.9
81.03412	1.5
83.01366	0.4
85.02431	0.6
85.02908	8.9
87.02200	0.3
87.04453	0.6
91.03907	0.4
96.83133	0.3
97.02887	3.1
99.04417	0.5
105.03432	0.5
109.02895	1.0
111.00813	0.8
121.02867	3.7
127.03918	1.5
133.02852	0.7
137.02357	0.8
145.04948	1.2
147.04333	0.6
151.57201	0.4
153.01851	3.9
157.06500	0.6
165.01860	1.7
183.02879	0.9
188.69225	0.3
202.95183	0.4
209.26637	0.3
213.05508	1.3
231.06526	0.5
241.04987	0.9
258.05234	1.3
287.05508	100.0
288.05801	2.7
329.06671	0.7
395.19833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.3
55.01870	8.8
55.05504	13.8
58.06581	8.1
58.99577	6.0
59.30770	3.4
60.05667	3.2
61.01153	4.7
61.33767	3.9
61.77441	3.3
67.05508	17.0
69.03428	13.8
69.07070	23.8
69.82739	17.9
70.06595	30.3
71.04990	8.8
72.08142	15.0
72.08478	3.4
73.01132	6.8
75.57450	3.2
79.05492	29.1
80.05009	3.4
81.03413	7.5
81.07069	18.9
83.04992	41.8
83.08645	3.8
84.04499	5.0
84.08140	14.8
85.02900	11.8
85.06548	8.3
86.09714	28.8
88.04016	4.6
91.05487	27.9
93.07038	37.9
95.04971	29.0
95.08598	10.7
97.02919	5.7
97.06538	45.8
99.04459	11.0
103.05450	3.5
104.98318	11.5
105.07033	50.4
105.61842	3.2
107.04961	15.2
107.08604	32.3
108.04473	4.2
109.02845	5.4
109.06542	31.9
110.07126	7.7
111.08097	7.6
112.03458	4.1
113.04239	13.8
115.03929	3.9
117.07021	12.3
119.04943	20.7
119.08595	16.8
120.08099	10.1
121.06512	40.4
121.10153	4.8
122.06041	12.5
123.04436	3.4
123.08064	4.6
125.06001	67.8
127.03909	4.1
127.07539	9.5
129.07027	4.5
129.10249	5.0
130.07790	6.6
131.08559	14.2
132.04514	3.6
133.06575	7.5
133.10129	5.7
136.06158	3.6
136.07629	6.3
137.06012	10.6
139.07539	13.9
141.06926	3.9
143.07048	43.7
143.08559	7.1
144.09378	6.0
145.03171	7.8
145.06470	4.6
145.10139	91.9
147.07993	3.8
147.11644	6.3
151.07481	7.0
154.07704	4.4
154.46332	3.7
157.08635	23.0
157.09746	3.8
158.07210	5.0
159.08061	6.7
159.11711	32.3
160.04054	4.0
162.05806	12.5
163.08974	3.7
163.11186	87.0
167.03273	3.7
169.10147	12.2
171.11690	3.2
173.09633	47.8
173.12964	3.6
177.12738	14.8
179.08658	5.7
187.11186	61.2
189.12773	5.4
191.10698	24.9
197.09578	8.0
199.08647	12.6
205.12242	70.7
211.08629	7.2
213.06708	6.5
215.10695	81.2
223.08684	6.9
223.13310	15.2
224.09499	7.9
225.10246	15.4
226.11008	5.7
227.11958	4.3
233.11748	100.0
237.10193	12.4
238.11020	8.6
239.08095	7.8
239.11858	11.7
251.12793	51.2
252.12639	3.6
253.09816	9.0
253.13422	22.0
254.10512	4.0
265.13306	4.3
267.11221	11.1
269.13861	50.0
279.11191	6.3
281.12888	9.0
283.14349	9.8
285.12183	8.1
287.05539	14.5
297.12357	3.6
309.12341	98.5
317.16818	5.8
325.11899	4.3
327.13409	46.3
402.18036	3.4
430.17670	8.9
448.18546	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	447.2508
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
53.03941	2.9
55.01876	16.0
55.05516	38.2
57.03444	52.9
57.07080	15.5
67.05514	11.3
69.07075	40.4
70.06588	1.3
71.08631	6.8
71.29698	1.5
73.02913	1.7
79.05495	8.3
81.07059	13.4
83.08141	1.8
83.08627	30.7
85.10183	3.9
91.05488	2.9
93.07053	9.2
95.08615	8.9
97.06541	5.2
97.10184	22.4
98.98476	74.9
103.15061	1.2
105.07040	2.2
107.08606	5.7
109.10174	2.6
111.11734	5.4
113.00023	2.8
113.04244	4.8
119.08589	1.5
121.10152	7.5
123.11723	1.5
125.13265	1.2
129.05444	2.3
135.11743	5.2
137.00002	78.9
137.13258	1.1
145.01413	1.1
149.02333	2.0
149.13272	2.1
155.01059	59.4
155.14311	1.0
169.02605	1.8
173.13402	1.0
178.02699	2.3
189.81467	1.1
193.02657	13.2
211.03691	10.8
219.21202	1.2
237.22148	14.5
274.00696	1.1
293.24841	1.9
309.89743	1.0
311.25821	56.1
353.25128	1.3
385.38675	2.1
447.25098	100.0
447.42184	6.3
448.25537	2.2
450.15607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.01854	0.9
55.05517	1.7
56.05048	0.5
56.17930	0.7
57.03441	10.7
61.02934	1.8
62.50797	0.5
69.03449	2.6
70.06597	3.4
70.99810	1.2
71.01362	1.0
71.04996	71.4
72.08157	1.7
73.02924	2.5
75.04489	4.4
81.03426	0.8
83.04997	7.1
84.08137	2.1
85.02908	100.0
86.03250	0.8
86.09714	4.3
87.04473	1.9
87.10040	0.8
91.03933	0.9
95.05026	0.5
97.02906	5.6
99.04452	1.0
101.06010	0.6
103.03960	1.0
105.07038	0.9
109.02834	1.1
110.06046	0.6
111.04440	5.2
119.29527	0.5
120.08089	1.5
127.03921	5.3
129.05486	40.6
129.10246	0.8
136.07529	0.6
145.04979	5.6
146.08151	1.0
147.06526	22.9
163.06013	2.3
164.09218	6.8
201.03683	0.6
237.07661	0.5
255.08498	1.8
273.09601	1.6
287.05481	5.6
302.15677	0.6
309.11621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2485
Annotation	MC-207,110
Peak:m/z	Relative Intensity
55.05495	1.6
57.03437	1.5
57.07082	9.0
57.89580	1.2
67.05496	2.7
69.07071	3.0
69.21920	3.9
69.22340	8.0
71.08626	6.6
79.05524	1.1
81.07066	3.2
85.10168	5.0
89.06028	2.7
91.05466	1.6
95.04935	2.1
95.08616	3.5
97.10165	1.3
104.29794	1.1
107.08573	1.5
109.10188	2.4
113.04238	1.5
116.36624	1.1
118.63055	1.2
133.08629	1.6
134.98192	16.1
149.02400	1.5
169.28885	1.2
195.06549	3.5
209.01866	2.7
209.08124	2.3
253.53600	1.2
313.27390	12.3
353.26532	2.4
415.22162	1.9
429.23749	3.2
447.24890	100.0
447.34113	11.2
448.25259	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	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05666	2.2
52.98204	1.9
53.03955	3.4
55.01890	6.2
55.05517	26.4
57.03189	2.6
57.03442	31.9
57.07066	9.8
61.76985	2.6
67.05508	37.3
69.07073	27.5
71.08631	4.3
71.26225	2.6
71.26543	2.4
73.02887	2.3
79.05500	20.0
81.07063	38.2
83.08617	16.8
86.09637	2.4
86.85474	2.4
89.05996	2.4
91.05475	8.8
93.07055	28.0
95.08614	30.0
97.06539	4.6
97.10159	11.5
98.98478	36.9
99.09783	2.8
99.76263	2.4
105.07040	9.6
107.08602	15.9
109.10139	9.2
113.00030	100.0
113.04228	5.2
115.79478	2.5
116.02193	2.6
117.07104	3.5
119.08562	8.2
121.10159	16.2
123.11697	7.0
125.45680	2.3
131.08533	5.2
133.10135	7.5
135.11714	11.6
137.00002	35.0
137.13239	3.3
137.97720	2.4
145.10107	6.4
147.11668	6.8
149.13239	7.4
155.01050	29.1
159.11691	3.7
161.13297	4.8
163.14803	2.5
169.02641	57.5
173.13258	3.0
187.03687	7.0
193.02657	7.3
211.03740	6.1
237.22124	9.6
243.21057	10.0
261.22156	24.9
265.04764	2.9
293.24869	2.3
302.18671	2.5
311.25757	26.3
317.24799	6.3
318.24884	2.9
335.25803	35.3
336.26270	2.4
429.24203	3.6
447.25134	50.4
447.42313	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.05505	2.9
55.43630	0.4
56.05032	2.5
57.05815	0.7
58.06601	1.4
60.04525	2.7
68.05032	0.5
69.03452	0.6
69.07067	1.1
70.02942	1.0
70.06598	5.3
70.34807	1.1
72.08158	36.6
74.06086	3.5
75.02684	0.4
77.51654	0.4
78.01836	0.4
84.04031	0.7
84.04514	8.8
84.05027	0.6
84.08153	4.1
85.02910	0.5
85.04047	0.6
85.04840	1.7
85.08411	0.4
86.06043	0.5
86.09709	100.0
87.05605	1.5
87.10062	1.2
88.04000	4.8
89.00916	0.3
90.05562	0.5
91.05830	0.6
94.06602	0.4
96.04515	1.1
96.08150	1.5
97.08449	0.4
99.02688	1.4
99.05582	0.4
100.03008	0.7
100.03978	0.9
101.02244	0.5
101.07169	2.6
102.05549	7.8
110.07164	0.7
110.09707	1.1
112.03964	1.0
112.07594	0.5
112.11260	0.5
114.09114	0.6
115.08717	1.1
116.01762	0.5
116.05327	1.7
116.07114	0.9
117.05649	0.7
117.07500	0.4
118.04907	0.8
120.06570	0.6
124.07614	1.1
126.05531	0.5
127.03967	0.4
127.04989	0.4
128.10716	2.4
129.10228	2.0
130.05020	2.3
132.10239	1.0
136.07521	0.5
138.09146	0.8
141.06596	8.3
141.10239	1.2
144.06570	0.6
148.06053	12.8
149.02397	0.7
155.11844	0.5
156.10248	0.9
159.07678	2.6
159.11293	3.3
161.09242	0.4
169.09787	0.6
170.08122	2.3
171.08530	1.8
173.12869	14.2
179.04826	0.6
183.11348	2.1
187.07146	4.6
187.10765	2.3
187.14565	0.5
197.12892	0.6
201.12344	17.2
203.05602	0.5
215.10516	0.6
215.14024	0.6
219.06081	0.5
219.08069	1.5
219.13504	1.1
220.08366	1.3
221.07761	0.7
222.08031	0.7
229.11852	4.4
243.13419	1.0
247.12875	9.6
254.15076	1.3
255.17131	0.6
261.14468	14.0
262.14752	0.5
272.16092	1.4
276.09109	0.5
282.14566	0.5
298.14133	0.4
300.15619	3.4
300.19254	2.0
348.17593	0.5
349.12784	1.2
351.12424	0.7
358.16245	0.5
361.02783	0.5
362.05014	0.4
420.65149	0.4
447.18829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.05511	5.7
57.07058	2.9
58.99586	4.4
61.01144	3.1
67.05505	5.9
69.03439	4.8
69.07066	5.9
70.06603	8.1
73.01145	11.7
79.05500	12.6
81.05809	6.2
81.07047	7.8
84.04533	3.6
84.08133	4.3
85.02876	3.6
86.09711	4.6
91.05473	5.2
93.07036	6.6
94.06570	3.1
95.01305	3.7
95.04931	3.9
95.08615	3.7
96.08141	16.7
97.06554	6.6
101.04269	3.9
104.98325	5.0
106.06532	4.6
107.12460	2.5
109.10170	5.6
111.02691	4.7
113.04240	34.2
115.03819	2.7
115.05819	3.6
118.06543	11.3
119.07307	17.4
119.08615	4.1
120.08112	30.7
121.08897	2.9
124.07613	52.8
129.03712	4.8
130.06514	3.3
131.05182	3.0
137.93716	3.0
145.01373	4.0
146.05992	17.2
147.06798	31.0
148.07573	51.3
149.02357	15.7
149.08360	3.3
153.05484	4.6
160.07584	5.7
162.05524	8.1
176.07059	17.4
188.07185	3.0
204.06480	3.4
228.09056	3.6
229.13435	9.1
232.05998	8.7
241.05022	2.9
242.10466	4.1
243.14946	3.6
255.11334	2.9
256.12140	3.6
256.78329	2.9
257.12863	100.0
271.05997	3.1
271.14398	26.8
272.15210	37.7
294.09784	8.8
296.11258	4.4
306.09811	6.2
322.09210	23.4
324.10855	24.3
429.16147	3.3
447.05518	7.2
447.17636	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06000	0.3
54.04180	0.4
55.01874	0.4
55.05514	2.6
56.05042	2.3
56.05278	0.5
58.06594	1.3
58.99589	0.6
60.04533	2.1
65.11560	0.3
68.05020	0.3
69.07062	1.0
70.02950	1.1
70.06592	4.9
70.72344	0.4
71.01055	0.8
72.08157	29.0
73.01148	0.7
74.06088	3.0
76.00247	0.3
76.02216	0.7
78.01847	0.4
82.06586	0.4
83.06104	0.3
84.04509	7.7
84.08147	3.8
85.02892	0.9
85.04837	1.2
86.09708	100.0
87.05593	1.4
87.10055	1.1
88.03996	5.3
91.05815	0.6
96.04499	1.1
96.08135	1.9
99.02685	1.3
99.05605	0.4
99.09990	0.3
100.03020	0.5
100.04018	0.5
101.02252	0.4
101.07153	2.3
102.05549	7.5
103.48965	0.3
110.07163	1.2
110.09698	0.7
112.03975	1.1
112.11265	0.4
113.04292	0.6
113.07185	0.5
114.05508	0.8
114.09183	0.8
115.08704	1.4
116.05334	1.5
116.07119	1.1
117.05669	0.8
118.04900	0.9
120.06606	0.6
120.08103	1.2
124.07615	0.8
125.07953	0.3
128.10725	2.2
129.10258	2.6
130.05022	1.4
130.06520	0.4
130.08621	0.5
131.05293	0.5
132.10237	0.5
138.09164	0.5
141.06595	7.6
141.10237	1.5
142.05000	0.5
142.08641	0.9
148.06046	11.1
154.05057	0.4
155.11835	0.9
156.10187	1.0
159.07654	3.2
159.11295	3.0
159.44344	0.3
169.09734	0.5
170.08102	2.4
171.08482	1.5
173.12865	12.0
179.04991	0.6
183.11340	1.3
186.08676	0.4
187.07115	5.4
187.10771	1.8
187.14488	0.4
189.08797	0.3
201.12344	15.5
202.05348	1.2
203.05649	0.8
204.04959	0.6
215.10364	1.0
215.13951	0.7
217.08311	0.6
219.08078	1.1
219.13490	0.6
220.08360	1.8
221.07829	0.4
222.07866	0.6
222.86156	0.3
229.11790	3.8
233.14961	0.8
243.13432	0.6
247.12892	8.5
254.14975	2.3
261.14478	15.2
272.16135	1.5
300.15604	3.3
300.19257	1.7
349.12595	1.0
351.12369	1.0
358.16061	0.6
361.02914	0.5
376.17230	0.5
386.15509	0.4
447.18518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0925
Annotation	Baicalin
Peak:m/z	Relative Intensity
52.68536	0.1
55.01843	0.1
55.05492	0.1
56.05041	0.1
58.86026	0.1
61.01132	0.1
65.90038	0.1
67.01859	0.5
67.05501	0.2
68.99807	0.3
69.03416	0.2
69.07054	0.2
70.06594	1.3
70.81409	0.1
70.81747	0.2
72.08142	0.5
74.06071	0.1
81.03406	0.1
84.04504	0.3
84.08134	0.4
85.02888	0.3
85.06516	0.1
86.09711	1.2
91.05463	0.5
93.07059	0.2
95.04935	0.1
102.05537	0.1
105.07027	0.2
109.02890	0.2
110.07185	0.1
111.04471	0.2
114.03740	0.1
116.07166	0.1
119.04945	2.0
119.08647	0.1
120.08087	0.5
121.02852	0.4
121.03639	0.1
129.01825	0.2
129.10188	0.2
130.06393	0.1
131.08626	0.1
135.72540	0.1
136.07634	0.1
145.02873	0.7
149.02327	0.2
153.01836	5.1
157.10060	0.1
163.03900	0.3
166.54343	0.1
169.09703	0.1
171.02878	0.4
173.18024	0.1
174.04416	0.1
181.12268	0.1
184.87341	0.1
187.03937	0.2
188.07106	0.1
199.61426	0.1
225.05466	0.2
229.05020	0.3
243.06570	0.3
247.05978	0.2
267.11072	0.1
271.06015	100.0
272.06323	1.4
305.21103	0.2
447.09277	2.3
447.16513	0.1
447.17627	0.1
447.30475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83906	1.3
53.03935	1.7
55.05494	1.8
58.99593	9.9
59.33931	1.1
61.01140	4.9
61.47862	1.2
65.66015	1.1
67.05515	6.1
69.07076	14.9
70.06582	2.6
70.84164	1.9
70.84489	1.7
70.99581	2.6
72.08169	2.0
73.01150	31.1
79.05502	10.4
79.76136	1.4
81.07044	3.3
83.08583	1.7
84.08137	3.9
85.01128	2.7
86.09699	2.8
87.02704	1.9
89.00567	1.9
91.05441	2.8
93.07066	2.0
95.04964	3.4
95.08618	2.5
97.06540	15.8
99.02678	6.8
101.04259	10.8
102.33855	1.4
102.96745	4.5
103.97527	8.1
104.98326	13.8
105.07015	2.4
109.10141	2.4
111.02689	7.4
112.03441	8.1
113.04237	100.0
114.05045	2.7
115.02172	1.9
115.07536	1.4
116.98315	2.8
119.08573	2.3
121.10080	1.6
121.77552	1.2
129.03714	25.9
130.04474	5.7
131.05284	7.8
133.01451	2.3
136.95490	18.4
139.05759	2.1
142.99855	4.7
144.00610	3.4
145.01428	5.9
146.02165	2.3
149.02364	4.6
161.00923	4.8
167.96515	1.4
168.92720	2.4
171.08377	5.0
176.98611	2.0
183.03017	2.1
193.04984	1.7
203.05516	1.3
233.01337	1.3
237.07660	1.6
239.11169	1.4
267.00015	15.2
357.01321	1.9
447.31589	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32816	1.7
53.03959	1.6
55.01857	2.3
58.99581	17.9
61.01138	7.4
65.03932	7.3
67.05489	7.3
69.03436	14.4
69.07070	17.8
70.06599	4.4
70.36868	6.2
71.47356	1.4
72.00367	1.8
73.01144	43.3
75.02712	2.5
79.05495	11.0
81.07046	6.0
84.08150	3.2
85.01167	3.1
85.02905	13.8
86.09680	1.9
87.02708	1.9
91.05466	1.7
93.07039	3.0
95.01331	18.7
95.04990	7.9
95.08622	2.6
96.05756	2.9
97.06544	26.1
98.07421	1.6
99.02665	8.4
101.04262	17.9
102.96726	4.1
103.97532	15.3
104.98318	17.5
105.07030	2.1
107.04955	2.3
107.08590	5.1
111.02673	7.9
112.03429	6.4
113.04234	100.0
114.04413	2.8
114.05117	2.2
115.02148	2.8
115.05780	2.2
115.07603	2.3
116.98341	2.8
119.08585	2.6
121.02869	3.2
123.08061	1.8
125.04230	1.9
125.06011	15.3
127.02144	5.6
127.03948	2.4
127.05799	2.4
129.03708	38.6
129.10281	2.4
130.04550	4.2
131.05260	8.5
134.01669	2.0
136.95490	26.7
139.05733	11.6
142.99879	3.5
144.00645	3.3
145.01392	5.0
145.10114	2.1
149.02356	57.1
149.03433	4.9
151.05739	2.0
153.05472	14.8
159.11705	1.8
161.00929	9.0
167.05286	8.0
168.06058	10.1
168.92708	1.7
169.06845	16.1
171.08366	6.7
173.13480	1.9
176.98683	1.8
177.80417	1.6
181.04979	1.9
189.75748	1.7
193.04967	48.1
199.02451	1.7
203.05585	2.6
215.05553	9.2
216.27054	1.8
233.01263	14.3
237.07602	26.9
258.71869	2.1
266.99915	2.7
357.01410	2.2
377.36923	1.7
385.09146	4.9
403.09970	3.3
429.11877	13.0
436.82736	1.8
447.05713	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	446.261
Annotation	Asn-Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.05508	0.8
56.05034	1.4
58.06567	0.5
60.04527	1.7
65.24589	0.4
69.03437	0.6
69.07072	7.0
70.02969	0.6
70.06596	7.9
71.54916	0.5
72.08157	6.3
73.04745	0.5
73.08473	0.6
74.06089	0.7
75.05604	6.2
83.06110	0.7
84.04504	2.0
84.08144	6.9
85.02899	0.9
86.09708	100.0
87.05615	0.7
87.10042	2.9
88.03996	1.4
91.05811	0.7
95.06175	0.4
98.09691	1.1
100.52480	0.5
102.05571	0.7
106.05039	0.7
110.07148	2.9
110.93951	0.5
114.05503	0.5
116.07141	0.6
117.03378	0.7
120.08089	2.9
129.10249	5.4
130.04999	0.8
133.06017	0.4
136.07582	1.2
141.10229	0.5
143.11801	64.3
145.02821	2.2
159.07651	0.9
159.11337	0.4
165.10143	0.4
167.05591	0.6
167.06964	0.7
167.88269	0.5
171.11299	23.5
172.11568	0.6
173.12849	1.0
177.05482	5.2
181.09776	0.7
183.11334	0.4
183.14949	0.6
186.12415	0.7
190.16260	0.4
201.12352	1.5
211.18053	1.7
219.13335	2.6
228.13441	20.9
239.17432	1.0
243.72359	0.4
244.13698	0.6
248.09283	0.7
258.14526	1.4
266.18500	1.0
276.15540	1.7
295.21362	2.6
296.19797	0.9
298.06839	0.5
313.22348	22.5
323.20676	0.6
325.12085	0.7
341.21860	8.4
360.02826	0.6
428.25089	3.8
446.26425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.77605	4.4
55.05513	39.4
57.07084	42.1
60.04823	5.8
62.54455	3.9
67.05515	35.0
69.06729	5.8
69.07076	79.6
69.38762	39.8
71.08650	36.9
77.03953	5.8
79.05502	27.9
81.07068	83.0
83.08636	41.0
85.10194	24.8
87.18858	4.7
91.05450	23.8
93.07052	61.5
95.04953	6.9
95.08611	100.0
97.10172	24.5
105.07033	67.6
107.08587	65.1
109.06502	11.5
109.10158	47.7
111.11697	19.9
114.67906	4.4
117.07005	14.8
119.08579	50.7
121.10143	50.9
123.11719	31.1
125.13290	9.3
131.08568	36.9
133.10127	45.0
135.08002	8.5
135.11690	20.6
137.05951	5.3
137.09627	5.7
137.13231	15.4
139.07558	8.6
143.08551	18.2
143.81891	5.0
145.10127	47.6
147.11682	42.1
149.13239	21.6
151.14835	8.3
155.07025	9.8
157.10121	11.1
159.11725	34.1
161.09569	7.9
161.13255	24.0
163.14789	14.8
165.09093	20.6
171.11740	9.9
173.09766	5.0
173.13269	17.5
175.14729	9.4
177.09077	12.5
179.10649	9.2
185.13286	16.0
187.14854	8.9
189.16331	9.0
191.10651	20.3
199.14824	8.8
201.16357	12.8
203.17888	13.9
205.12186	8.6
213.16440	8.5
217.12149	5.6
227.17908	7.7
229.19644	5.0
231.13852	7.9
233.22704	7.0
245.15306	10.1
247.17061	5.6
247.24142	7.9
251.16040	4.9
261.25714	8.2
263.16589	4.9
273.18570	6.3
284.10672	5.1
287.20132	14.2
288.75394	4.9
305.21094	5.7
341.31964	18.8
343.33643	36.0
359.02646	5.2
367.33307	7.5
385.34610	9.0
427.35779	50.3
445.36887	93.6
471.16821	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41130	9.1
53.15962	8.5
55.05514	46.0
57.07086	60.1
67.05510	28.4
69.07072	94.5
70.00452	8.9
71.08646	46.1
71.09334	14.5
74.47211	8.3
79.05489	19.5
81.07062	66.6
83.08627	66.3
85.10182	31.6
87.79102	9.2
91.05463	9.3
93.07043	36.3
95.08610	51.7
97.10177	34.6
98.21244	11.8
107.08604	39.5
109.06513	27.2
109.10165	29.4
110.78307	8.3
111.08071	16.4
111.11716	42.0
119.08549	11.1
121.10139	10.2
123.08106	19.7
123.11778	13.3
135.08063	11.3
135.11736	12.3
137.05998	61.1
139.07542	100.0
149.09633	12.0
149.13254	12.2
151.07585	28.7
165.05534	16.0
165.09108	36.4
167.06981	11.9
175.11137	10.6
177.09053	9.9
179.10666	11.6
189.09187	11.3
189.12758	9.0
193.08685	14.6
203.10727	17.6
207.63113	9.5
289.28909	17.1
307.29947	24.6
385.34540	16.0
399.36453	17.5
403.35739	21.0
417.37061	31.7
427.35703	22.9
445.36911	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05308	0.9
55.05513	10.9
57.07064	4.4
67.05518	5.3
69.07072	17.4
69.40878	8.1
71.08622	2.5
78.93098	0.9
79.05480	1.8
81.07065	7.7
83.08617	8.4
90.16228	1.0
91.05468	2.3
93.07043	2.2
95.04979	1.3
95.08617	8.0
97.10146	4.9
105.07039	1.5
107.08575	3.8
109.01448	0.9
109.10165	6.4
111.11713	2.8
117.07057	1.0
119.08572	2.9
121.10167	2.9
122.07246	1.2
123.08072	1.5
123.11679	0.9
131.08595	1.7
133.10060	1.6
135.08032	3.4
135.11710	1.2
136.38742	0.9
137.09628	8.4
139.07520	1.3
145.10098	2.0
149.09621	10.4
153.09158	1.0
159.11697	1.4
161.09735	1.0
163.11179	11.1
165.09125	100.0
166.09438	1.5
171.65724	0.9
173.09668	2.2
175.11214	2.9
176.08432	1.3
177.09138	5.1
187.11256	1.8
189.09122	2.3
189.12791	1.1
191.10681	5.6
199.11147	2.4
201.12708	1.5
203.10669	6.6
204.11316	1.1
205.12280	8.4
217.12253	2.3
219.13770	2.6
233.15384	1.5
292.86389	1.0
317.24597	1.2
345.27673	1.1
401.17508	1.5
415.15375	1.8
416.15338	1.0
427.35614	4.0
429.17105	1.6
430.17856	2.1
445.20193	21.2
445.37183	6.2
446.20779	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	445.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.05505	6.6
57.03424	6.7
58.99580	4.9
60.04515	3.6
61.01137	4.7
67.05492	8.1
69.03436	44.4
69.07053	8.6
69.58186	10.1
69.58597	4.7
70.06584	10.7
71.04972	5.2
72.08147	4.8
73.01147	44.3
73.04773	3.2
79.05499	12.9
81.03421	3.2
81.07047	8.5
84.04495	3.6
84.08126	9.5
85.02911	44.2
86.09692	8.1
91.05846	12.1
91.80480	2.4
92.02964	4.0
93.07027	6.3
95.01334	77.5
95.04958	11.6
95.08593	4.7
96.92430	3.4
97.02920	4.0
97.06548	14.0
98.20793	5.3
99.02687	3.3
101.04261	5.2
103.03907	4.8
104.98299	9.6
105.07028	3.2
106.97928	3.3
106.99893	8.3
107.04987	4.1
107.08628	3.1
109.06490	2.9
109.10184	3.6
110.07156	3.2
111.02623	3.4
112.03477	3.5
113.02370	5.7
113.04255	24.0
113.06002	6.4
116.98277	3.0
119.08582	3.4
120.08117	4.1
121.10134	3.1
123.04501	3.0
125.06005	61.9
127.03904	7.9
129.03751	5.8
129.10226	4.4
132.65236	2.2
136.95444	2.4
137.05965	7.0
138.97040	6.8
141.05432	2.7
143.07048	5.6
144.00557	2.9
145.01424	4.4
145.10017	2.4
147.94678	3.4
148.95445	4.2
153.05478	64.9
156.98157	23.8
167.05553	4.5
187.06030	2.6
192.84908	2.4
193.08627	5.7
193.99174	2.5
196.92279	2.5
199.00931	4.1
212.89746	2.7
215.05518	100.0
216.05725	3.8
225.04417	3.9
237.07794	3.0
255.08664	7.5
258.07233	2.5
337.40042	2.9
342.99600	3.1
359.02808	8.5
382.31314	2.6
444.95676	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
54.28894	0.5
54.66199	0.4
55.05515	8.1
56.05038	1.0
57.05817	0.9
69.03437	0.5
69.07071	2.1
69.72455	2.5
70.06599	5.1
72.08160	100.0
73.04757	1.4
73.08520	0.6
81.03435	0.4
81.07044	0.6
84.04506	3.7
84.08148	2.9
85.02901	1.1
86.09712	32.1
87.10074	0.7
88.03991	4.0
91.05859	1.1
95.04987	0.8
96.08173	0.5
98.20836	0.8
100.07648	0.4
102.05550	2.4
107.08630	0.7
109.02825	0.5
109.06528	0.4
110.02443	1.0
110.07196	1.4
113.10799	0.6
116.07146	1.0
116.25758	0.4
120.08141	0.7
124.07617	0.5
127.03948	0.8
129.10216	2.0
130.05055	0.7
132.10214	6.8
136.07639	0.8
141.10252	1.9
143.11821	0.5
144.06575	0.5
153.05507	0.9
155.07080	0.7
155.08199	0.8
155.11827	0.5
156.10306	0.4
157.13365	3.1
162.07625	0.8
165.00072	0.8
166.08624	2.0
167.05627	0.7
169.09795	1.2
170.94321	0.4
171.14943	29.6
183.11331	0.8
185.12897	2.7
185.16550	1.0
187.10844	1.9
195.60097	0.4
197.08102	1.5
197.12993	0.9
199.14435	15.7
201.08765	1.1
201.12338	4.9
203.14000	1.0
211.10870	0.5
212.09271	1.2
213.16180	0.6
215.05502	0.5
215.10356	2.5
215.13968	1.2
225.04243	0.5
227.17699	0.6
229.11821	2.3
233.14989	0.6
243.13431	3.2
247.12909	15.2
261.14499	1.3
301.42526	0.4
307.06155	0.9
314.17145	6.3
332.18073	0.5
346.19904	1.0
359.02966	0.9
379.33875	0.4
445.19675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	4.6
57.03439	5.9
58.99589	4.9
67.05527	5.4
68.83050	3.3
69.03437	42.8
69.07063	13.1
69.38604	23.3
70.06590	10.7
73.01145	21.2
79.05503	11.6
81.07044	8.4
84.08162	7.2
85.02910	40.3
86.09716	7.8
91.05820	6.7
93.07056	5.4
95.00760	6.0
95.01336	75.3
95.04934	7.4
97.06522	10.2
98.20751	7.4
104.98312	4.8
107.04976	3.5
109.06533	4.3
112.03455	7.5
113.00364	5.1
113.04236	31.4
115.03938	3.4
116.98359	5.0
125.06004	57.6
129.03716	6.1
129.10187	3.7
137.06006	11.2
141.05466	4.3
142.99796	4.9
145.01474	4.7
153.05469	58.8
156.98129	4.2
167.05528	8.3
168.72423	3.9
197.13255	3.2
201.12863	4.0
203.06642	3.5
215.05504	100.0
231.30296	3.2
255.08684	25.8
258.21921	3.4
359.02835	8.5
431.86890	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	445.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52924	3.3
57.03432	6.6
58.99568	5.4
64.98372	2.7
67.05486	5.5
69.03434	42.5
69.07059	7.1
70.06573	6.4
70.93385	4.0
70.93732	6.0
73.00850	3.0
73.01155	29.1
73.04762	4.3
79.05479	8.9
81.07066	6.5
81.28901	3.0
84.08125	6.6
85.02917	32.2
86.09703	8.5
91.05852	7.3
95.01336	69.5
95.04951	7.8
95.08591	4.0
97.06529	13.4
104.98296	4.6
107.08611	3.9
109.06517	3.6
111.02608	3.3
113.02320	3.9
113.04240	26.1
118.87598	3.2
119.08587	5.5
125.06004	55.5
127.03957	8.6
129.03729	3.7
133.10135	3.3
137.06013	7.4
141.05470	3.6
143.07068	5.5
147.94740	3.7
148.95532	3.6
151.03941	3.2
153.05481	52.4
156.98073	20.1
161.01013	4.3
197.04370	3.6
212.89941	4.5
215.05504	100.0
219.62476	3.9
227.09126	3.5
230.97951	5.0
234.20848	3.3
255.08731	15.8
359.02750	8.9
426.78253	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
57.03192	1.0
57.03443	11.0
57.07066	3.1
59.32538	0.9
60.04502	1.0
61.02935	1.3
63.04488	3.9
69.03419	3.1
69.07056	1.4
69.85639	3.0
69.86050	1.9
70.06601	8.0
71.05000	77.9
72.08156	10.4
73.02921	2.7
73.07236	0.8
75.04487	5.1
83.04987	7.5
84.04497	3.1
84.08143	5.0
85.02912	100.0
86.09718	18.2
87.04482	2.1
87.10056	2.1
90.39069	0.9
91.81402	0.8
95.52955	0.8
97.02895	4.0
98.06062	0.9
98.21424	1.0
99.04448	2.0
102.05568	1.0
103.03964	1.5
109.02839	0.8
110.07210	0.9
111.04445	7.9
112.08795	0.9
116.07123	1.5
119.09895	1.3
119.10706	17.7
120.08109	1.3
124.07642	1.0
124.95499	1.1
127.03915	3.8
128.10756	1.4
129.05487	45.5
129.10254	2.1
132.10219	1.0
143.11850	2.1
145.04929	2.6
147.05418	1.4
147.06538	23.6
157.13348	1.0
159.09102	0.9
164.09172	4.0
169.09656	1.3
171.11311	1.0
171.15012	1.0
175.11909	1.1
178.94528	0.8
186.12387	1.4
200.10469	1.2
214.11928	2.2
255.08615	2.7
265.16422	3.0
272.17847	1.0
273.09689	1.3
299.20847	1.1
309.11813	1.4
313.18546	1.2
400.22635	1.4
444.17209	5.6
444.30103	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	444.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	7.3
56.05034	6.6
58.06607	13.2
58.99594	9.6
61.01151	2.2
65.03934	2.5
67.05493	2.5
69.03503	1.7
69.21192	14.9
69.21595	2.8
70.06602	11.9
73.01145	9.7
74.00671	8.1
74.02449	1.9
76.02213	12.1
76.03999	4.6
82.06607	3.1
84.04512	100.0
84.08180	4.1
85.04026	2.4
86.99053	2.9
96.08134	17.6
99.02692	41.8
101.04252	4.9
101.19791	1.8
104.98313	4.3
107.99384	3.8
111.40845	1.9
112.03973	28.3
114.03777	3.7
116.01685	15.1
116.05330	68.6
116.07084	17.9
124.07594	19.1
126.09185	3.6
127.02158	2.5
129.06589	3.9
130.05008	20.8
130.99860	1.8
131.04512	2.8
140.52896	1.7
142.03226	5.1
142.08655	15.1
144.01161	4.3
145.06213	1.9
148.02527	11.0
160.00732	2.3
162.02229	11.3
170.08142	90.0
176.01962	4.9
177.03322	13.9
179.04912	22.4
181.06134	2.5
182.06403	3.0
188.02129	2.6
202.03778	1.4
202.05348	58.0
211.02150	8.6
217.06479	17.4
219.08014	94.5
229.06517	2.6
245.05931	4.6
245.09621	7.7
251.05267	15.1
273.09091	14.0
286.12436	2.0
291.06393	3.4
305.06345	3.0
330.11282	4.3
331.09473	2.4
348.12277	56.3
365.33517	1.9
380.09518	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	444.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	11.1
56.05032	4.8
58.06609	10.3
61.01151	5.7
68.05028	4.1
70.06592	3.5
70.95415	3.9
72.87346	1.5
74.00671	47.2
76.04000	5.0
76.18230	1.7
82.06619	1.7
83.06146	1.9
84.04511	100.0
84.08160	11.4
85.02927	1.4
85.04042	17.2
85.17130	1.6
92.01712	7.1
96.08135	25.8
99.60366	2.0
102.49335	1.5
104.98330	18.9
107.99406	14.0
110.06052	2.5
112.03982	15.0
113.03510	4.9
116.07111	8.5
124.07590	24.4
126.09153	4.4
129.06627	2.8
130.04034	3.5
130.05013	72.6
130.99879	2.8
131.04541	12.7
139.03282	1.9
142.08673	14.5
148.02499	26.6
156.06570	4.7
160.00684	4.3
169.06151	1.7
170.08136	97.3
174.00450	6.2
177.03310	67.4
181.06119	5.0
185.03854	4.5
188.02040	7.7
201.99940	3.3
211.00035	2.2
211.02078	42.5
213.12386	14.0
219.08003	2.7
231.04375	8.9
234.02553	5.8
251.05219	92.9
277.07019	1.7
288.06641	3.8
305.06290	23.3
306.07608	5.5
315.05060	3.9
323.03693	6.2
362.08344	1.9
380.09482	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.9
56.05032	4.0
56.72876	1.5
58.06586	7.6
58.99557	2.1
61.01152	10.1
68.05035	2.9
70.06565	2.7
71.39051	2.7
74.00277	2.8
74.00670	40.7
76.03997	6.8
83.06112	3.2
84.04512	100.0
84.08150	12.4
85.02938	1.9
85.04038	16.3
92.01733	8.5
96.08139	27.4
104.98322	24.3
107.99416	12.1
110.06100	2.6
111.81602	1.9
112.03973	12.4
113.03471	6.9
116.07117	5.5
124.07602	25.3
126.09186	3.3
129.06610	3.3
130.05019	70.5
130.99835	2.7
131.04538	14.3
142.08649	15.6
148.02495	22.8
153.65271	2.0
155.08083	1.5
156.06537	4.0
159.02200	1.6
160.00670	4.0
170.08145	94.7
174.00420	5.0
177.03310	63.0
181.06091	6.1
185.03780	4.6
188.02007	5.3
188.24535	1.8
189.22165	1.7
201.99863	2.8
211.02109	30.9
213.12354	11.4
217.22336	1.9
231.04398	6.1
234.02577	3.4
251.05226	74.2
264.00363	2.1
278.17242	2.0
305.06274	19.5
306.07574	5.2
315.04980	3.2
323.03674	5.6
375.02548	1.8
380.09460	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.7
56.05027	6.5
58.06611	9.9
58.99585	9.4
59.70116	1.4
61.01136	2.0
63.37925	1.4
65.79385	1.6
68.05014	2.3
70.06580	7.0
70.12539	7.7
72.08131	2.0
73.00852	1.3
73.01157	13.7
74.00660	7.9
74.02428	5.0
76.02235	16.4
76.04021	3.3
82.06574	2.8
84.04510	100.0
84.08124	3.6
85.04005	3.1
86.09712	2.3
86.99055	2.8
92.01694	1.4
92.32360	1.8
96.08131	22.7
99.02065	2.5
99.02689	45.4
101.04282	3.8
104.98289	3.2
107.99395	2.7
112.03975	23.6
113.03510	1.6
114.03753	8.8
116.01675	18.9
116.05322	57.5
116.07088	18.7
124.07594	16.0
125.80357	1.5
127.02139	2.9
129.06651	4.5
130.04051	1.8
130.05013	27.9
130.99837	2.0
131.04504	1.9
132.13205	1.5
142.03217	6.5
142.08636	15.3
144.01123	6.8
144.04776	4.1
148.02505	14.0
153.06522	2.4
160.00682	2.5
162.02205	11.3
170.08138	85.0
176.02017	9.5
177.03296	13.8
179.04886	17.7
202.05351	45.3
211.02042	6.6
213.12523	1.8
217.06444	29.8
219.08003	76.9
229.06494	1.6
245.05911	4.2
245.09596	6.2
251.05246	13.3
262.01880	1.6
273.08981	11.4
291.06598	2.9
305.06107	7.5
330.11249	4.1
331.09665	1.7
348.12302	44.6
378.10278	1.6
380.09442	17.0
455.27106	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
56.67005	1.8
56.95251	1.9
57.03428	6.1
59.64679	2.0
61.01131	4.6
67.05492	5.9
67.26697	2.0
69.03429	31.2
69.07063	5.1
70.06590	7.0
71.55370	2.9
72.08141	3.9
73.01147	15.4
79.05481	8.8
81.03411	2.9
81.07047	5.4
84.04480	3.9
84.08143	7.2
84.28993	1.7
85.01141	3.2
85.02907	32.1
86.09702	8.6
88.03984	1.9
89.00626	10.1
91.05459	2.4
92.94233	2.1
95.00752	3.9
95.01332	53.4
95.01940	2.6
95.04962	8.6
97.02881	4.0
97.06525	8.4
98.64130	1.9
99.02700	2.2
104.98331	4.9
106.06532	2.3
106.99865	2.1
107.01651	72.6
107.04931	3.8
107.13943	1.9
109.06509	2.9
110.06069	2.4
113.04240	6.2
115.03940	2.2
115.05818	3.0
115.50667	1.8
116.19099	2.0
118.06544	29.0
119.07323	8.4
120.08098	12.6
123.04411	6.6
125.05995	46.0
125.06860	3.8
127.03889	4.8
129.10182	3.3
141.05450	2.5
147.06770	2.9
150.03735	6.7
150.05492	5.2
151.03842	3.3
152.05243	3.7
153.00040	2.7
153.05463	48.0
163.06351	3.5
164.07059	23.6
165.07869	54.4
165.09094	2.8
169.04849	3.6
178.03244	5.1
179.03412	2.3
180.99533	10.2
196.04288	100.0
197.04457	23.8
211.00595	6.0
215.05515	61.3
228.98320	3.0
229.01700	8.1
229.98715	3.5
255.01399	7.3
255.08698	12.6
280.20538	1.9
303.03510	6.6
361.01877	2.4
392.20419	2.5
444.07864	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	444.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.3
61.01147	3.9
67.05492	2.7
69.03436	25.1
69.07076	1.8
69.53981	4.6
69.54406	3.5
70.06573	2.2
71.04982	1.5
73.01151	28.8
79.05503	6.2
81.07089	2.0
83.01343	1.9
84.08165	2.1
85.02908	26.9
86.09689	1.8
86.95806	1.2
87.04457	2.0
89.00629	9.5
90.01402	2.3
95.01335	47.8
95.04465	1.4
95.04964	9.1
97.00527	1.5
97.02930	2.2
97.06544	8.9
102.96985	1.4
103.03912	3.0
106.99907	10.0
107.01665	66.7
107.04952	2.4
111.04480	1.7
113.02391	3.1
113.04234	3.5
113.05994	4.4
123.04431	6.4
125.02405	2.2
125.06005	45.9
126.06315	1.5
127.03938	3.1
137.05960	1.9
141.05475	3.0
143.07060	5.6
145.01424	2.4
151.03911	9.4
153.00108	1.6
153.05479	54.0
154.05815	2.4
169.04985	3.1
171.01079	2.6
174.38939	1.1
179.03413	2.7
180.99559	11.8
187.05975	2.6
194.99696	3.8
197.04471	33.6
211.00612	3.5
215.05524	100.0
216.05914	3.5
229.01653	4.0
255.01508	5.3
255.08669	9.0
303.03333	2.3
321.04443	1.9
361.02185	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	443.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.5
55.05513	0.7
55.93544	0.4
56.05031	1.3
58.06584	0.4
59.05005	0.3
60.05653	5.4
67.05504	0.7
68.05016	0.4
69.03419	0.6
69.07074	8.8
69.07449	0.5
70.06596	23.0
70.80659	0.7
70.95864	0.6
71.05018	0.5
72.04524	0.5
72.08160	7.8
72.93791	0.7
74.06082	1.2
78.86701	0.3
79.05492	0.8
81.07059	1.1
84.04507	5.6
84.08141	2.3
84.56736	0.3
85.02921	1.2
86.06071	1.9
86.09710	100.0
87.10055	0.9
88.03993	0.4
90.15804	0.4
90.94841	0.4
91.05488	0.8
93.07063	0.9
95.04971	1.7
95.06074	0.3
95.08623	0.6
97.02913	0.5
97.06580	0.4
97.07699	0.4
97.80064	0.4
99.04468	0.3
99.84627	0.4
102.05549	9.5
105.07048	1.1
107.08604	0.9
109.06527	0.9
109.10181	0.9
110.07171	0.6
112.08730	3.5
113.07154	0.4
114.05560	3.3
114.10284	0.6
115.08683	3.5
116.07098	10.2
120.08114	1.0
121.10188	0.4
122.06061	0.5
128.09779	0.8
128.10730	15.5
128.11678	0.5
129.10233	1.0
130.05026	0.5
130.09760	2.9
132.10176	0.4
132.95859	0.5
133.09772	1.2
135.08055	1.1
137.09669	0.5
139.08699	0.4
144.95862	0.7
147.11700	0.7
150.05510	1.1
150.96939	0.4
155.11760	0.8
156.10188	1.4
156.11330	7.5
157.10909	0.6
158.09273	6.9
158.97397	1.6
167.08188	2.4
173.12979	0.4
175.10400	0.8
175.11926	15.6
187.10831	0.9
191.14368	0.4
195.07646	3.0
199.18172	0.4
200.13969	0.5
201.12401	0.7
205.12244	0.4
208.14577	0.5
213.08711	2.6
215.10326	1.4
216.98012	1.1
221.02707	0.6
225.92786	0.4
229.11900	0.4
229.15579	2.1
234.99004	3.2
243.09818	1.7
253.00192	0.5
253.16667	0.5
263.07217	0.6
263.16428	0.8
269.18686	0.7
271.17673	8.9
281.08340	1.0
281.19565	1.0
288.20425	0.6
299.09442	2.0
301.12234	0.3
308.30069	0.4
323.09534	2.0
326.09808	0.7
326.13489	9.0
335.09402	0.8
341.06821	0.5
344.14737	1.1
353.10129	0.4
355.08228	0.4
383.11865	0.4
400.22809	0.4
407.11655	1.0
425.12424	1.9
425.28558	0.6
443.13644	4.1
443.29800	86.0
444.30005	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77307	4.5
57.03445	5.5
58.99589	14.1
61.01149	4.8
66.03197	3.8
66.27170	3.9
67.05503	5.6
68.34988	4.0
69.03438	44.1
69.07078	6.9
69.52860	12.6
69.53283	17.9
70.06577	11.3
70.99583	38.0
72.00363	29.4
73.01153	73.4
79.05514	9.6
80.55321	4.5
81.07059	7.6
84.08137	4.2
85.02907	33.9
86.09760	4.6
91.02185	6.3
92.02969	9.8
95.01341	69.8
96.92407	5.3
97.06548	12.1
98.20692	7.6
102.96776	35.2
103.97524	11.3
104.98325	8.9
109.06515	6.1
112.15115	4.2
113.02445	5.3
113.04234	14.8
115.05822	9.9
120.08102	3.9
123.04407	5.4
125.00861	5.3
125.06032	56.1
127.46196	4.0
131.08707	3.9
136.95515	34.0
153.05489	56.0
154.96606	6.3
156.98146	39.5
197.01251	9.3
209.01666	4.4
215.05531	81.2
228.96454	6.5
228.98460	100.0
255.08681	19.6
357.20392	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	443.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	4.5
61.86773	4.0
62.72326	4.6
69.03434	35.4
70.06615	4.5
70.73837	9.6
73.01139	26.8
85.02911	30.8
95.01337	62.8
95.04953	9.9
97.06517	8.4
104.98283	6.6
106.10320	4.7
107.01665	14.3
113.02397	6.5
113.04243	6.5
125.06001	49.9
126.71593	4.9
127.03851	4.6
133.64305	5.7
143.07047	5.0
145.11249	4.6
153.05486	43.5
154.96535	4.3
197.04553	7.9
215.05502	100.0
227.36720	4.4
241.27089	5.4
255.08653	13.5
450.91486	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	443.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71818	4.3
55.05517	7.7
58.99581	10.8
67.05511	7.4
69.03437	46.1
69.07073	12.6
69.84401	23.9
69.99176	4.4
70.06589	17.6
70.99588	9.2
71.05040	4.5
72.00359	11.1
72.08163	6.6
73.01151	65.2
79.05506	16.5
81.07072	12.8
83.08646	4.6
84.08134	10.6
85.02914	49.8
86.09699	11.5
86.26320	5.2
87.29068	4.4
89.00626	5.3
90.01405	12.2
91.05462	7.4
93.07070	7.7
95.01329	65.1
95.04964	12.5
95.08594	8.3
97.06552	14.1
98.21465	10.1
102.96776	6.5
103.03934	7.3
104.98286	6.5
105.07015	6.4
106.99873	7.6
107.08623	8.7
109.06470	6.5
109.10133	5.7
111.04485	5.5
113.02367	4.6
113.04241	26.1
119.08599	6.6
120.41880	5.1
121.10155	5.1
125.06014	69.2
127.03914	5.1
129.07144	5.7
129.10257	7.1
136.95583	5.7
137.05983	7.2
143.07043	7.0
143.08566	5.0
153.05475	56.1
154.96515	11.7
156.96146	11.7
160.08736	5.8
165.09120	14.9
197.04407	7.9
203.21010	5.0
215.05530	100.0
228.96448	21.8
255.08752	8.0
362.10025	6.7
397.23776	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	442.2591
Annotation	12-Acetyldehydrolucidusculine
Peak:m/z	Relative Intensity
53.03934	6.3
55.05512	8.5
55.79993	3.5
56.76469	3.3
64.20640	2.9
67.05499	8.0
69.03417	4.1
69.07076	30.4
69.62455	16.4
79.05505	19.4
80.04996	4.6
81.07048	18.9
83.08607	7.4
84.04479	3.9
85.02878	4.0
88.29382	3.1
91.05494	25.6
93.07047	26.7
94.02930	7.1
94.06564	9.7
95.08614	20.7
96.04469	5.3
97.10143	3.4
103.05445	3.9
104.21504	3.2
105.07037	100.0
106.06585	5.1
106.67713	3.1
107.08607	14.3
108.08109	6.1
109.10152	10.7
110.02426	7.2
110.06041	13.2
112.03980	4.2
114.01900	7.3
117.07025	6.7
118.06535	3.4
119.08595	67.2
121.10149	12.8
123.11716	10.1
126.05484	4.7
128.03456	10.7
128.06206	3.6
129.07010	7.2
131.07353	3.8
131.08560	16.4
132.08031	3.3
133.10129	35.5
134.06032	6.2
135.11673	7.5
136.07561	4.5
138.01860	7.4
140.03436	17.2
142.07735	6.2
143.08562	17.4
145.10123	27.7
146.09660	5.4
147.11671	12.0
152.03421	6.4
154.04991	15.7
155.08565	12.3
156.09357	9.0
157.10078	17.2
158.04492	14.4
158.09677	3.3
159.11694	16.3
161.13274	12.4
162.05498	11.8
162.09164	5.0
169.10112	14.0
171.11696	15.8
173.13318	6.8
174.38718	3.1
175.14825	45.7
178.05019	29.6
180.06618	8.6
182.10947	5.4
183.11679	11.3
185.13307	22.4
188.05533	4.0
192.06676	4.4
197.13272	20.7
199.14870	6.9
211.14839	25.8
216.36420	3.7
228.08650	10.3
234.07599	4.4
241.19485	3.8
252.08682	27.9
254.10172	4.7
267.21118	28.1
276.15952	8.6
318.13242	3.8
330.26462	3.4
350.19617	85.5
442.25757	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71120	0.8
54.37156	0.9
55.05511	4.7
63.88047	1.0
69.03396	1.3
69.07069	8.4
70.02960	1.1
70.06595	40.7
71.03696	1.4
71.04041	1.2
71.05004	1.6
72.08156	53.9
81.03825	1.0
84.04495	1.8
84.08142	4.1
85.02912	3.1
85.04029	3.8
86.09707	100.0
87.05583	9.4
87.10036	1.1
93.07026	1.1
96.08146	7.3
97.02904	1.4
98.02414	8.4
109.72736	0.9
110.07171	1.9
110.09675	3.7
113.10753	2.8
115.05045	1.5
116.07093	31.5
120.08096	1.4
127.08644	1.2
129.10292	1.4
138.09143	5.4
141.10226	25.8
146.09598	1.0
155.10512	2.0
155.11797	34.5
155.14545	1.1
165.00124	1.1
166.08611	2.0
169.09697	1.0
183.11279	19.1
186.12408	3.2
195.14986	1.1
200.13942	94.4
201.14218	1.3
211.10924	2.1
214.11844	2.0
215.13910	24.6
216.17494	1.0
217.11763	1.3
222.16086	2.6
228.13451	84.5
229.13721	1.2
229.15518	13.4
238.60284	0.8
247.71640	0.9
255.85184	0.9
268.16629	2.9
280.19092	8.0
282.18311	1.6
298.02197	1.1
299.20853	4.6
307.37692	1.0
309.19199	2.6
310.17709	1.7
326.05157	10.4
327.20273	35.3
338.20770	1.4
341.16318	0.9
442.06555	6.6
442.24265	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	442.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38258	1.6
55.01866	4.9
56.05043	2.6
57.03428	2.6
58.06605	26.5
58.20242	1.6
58.26831	1.5
58.99586	8.7
61.01135	2.5
61.61047	1.3
67.05495	1.9
69.03434	22.3
69.07075	2.4
69.85281	7.9
70.06244	2.2
70.06596	25.3
72.08161	15.0
73.01144	65.2
74.06079	1.7
76.02217	5.7
79.05493	4.9
83.04964	1.6
84.04485	5.1
84.08132	6.4
85.02906	25.5
86.09711	60.2
86.99047	4.9
87.10031	3.1
88.03977	2.6
91.05473	1.9
95.01333	42.2
95.04972	8.6
97.02876	1.5
97.06550	10.0
98.20827	2.2
99.02688	4.8
100.11223	1.4
102.05573	1.7
102.98930	1.4
104.98292	3.9
105.00068	5.3
106.99877	18.2
107.04923	4.0
110.07150	2.0
111.04445	1.5
113.02341	2.6
113.05991	3.5
116.05341	7.9
116.07103	13.1
120.08102	18.1
122.02743	14.6
123.04458	4.1
125.05994	42.7
127.03918	5.3
129.10231	3.6
136.07555	4.1
141.05446	3.6
143.07040	5.8
145.03191	36.0
151.03893	9.5
153.05470	44.0
162.05859	80.9
166.08650	2.1
169.13354	2.9
179.03529	2.0
185.16516	6.8
187.05902	2.9
194.03046	6.7
197.02765	2.9
197.04456	33.0
197.12889	2.0
211.81421	1.9
213.15999	11.9
214.07243	1.4
214.16278	1.9
215.05511	100.0
216.05777	1.8
226.13733	2.0
229.15508	9.2
239.13908	5.3
249.12276	2.9
255.08604	6.4
257.14926	4.2
277.12015	1.9
328.18811	2.5
336.07452	6.5
368.04648	3.8
398.10284	4.4
405.17972	1.9
442.06525	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	442.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52348	1.2
53.10269	1.3
55.01876	2.3
55.05513	3.5
56.05044	2.0
57.03436	5.6
58.06605	17.8
58.99588	7.3
67.01830	1.1
67.05505	2.0
69.03428	28.2
69.07076	2.1
70.06596	23.1
71.55357	2.4
72.08164	13.2
73.01144	27.4
74.06081	2.0
76.02254	2.6
79.05492	4.7
80.56441	1.3
81.07053	1.6
84.04501	3.8
84.08147	14.0
85.02421	2.3
85.02909	28.5
86.03300	1.1
86.06091	1.6
86.09714	25.8
86.99063	3.4
87.04453	1.5
87.05611	1.4
88.03990	3.1
91.05486	2.8
95.01338	54.7
95.04974	5.6
97.02899	2.2
97.06534	5.3
99.02678	4.3
103.03996	1.7
103.67933	1.2
104.07094	1.8
104.98318	8.0
105.00128	2.3
106.99872	5.4
107.04956	2.6
109.06505	1.8
110.07165	4.8
113.02353	3.6
113.06004	1.7
116.05347	7.2
116.07106	4.0
118.75202	1.2
120.01189	1.3
120.08107	4.1
122.02742	6.2
123.04450	3.0
125.02354	1.2
125.06000	47.4
127.03959	3.1
129.10257	4.9
133.10110	1.2
135.04396	1.1
136.07622	2.4
137.05968	1.4
141.05545	2.4
142.17201	1.2
143.07040	2.5
145.03191	22.6
151.03931	4.9
153.05475	56.0
162.05846	61.2
169.04953	1.4
185.09808	1.8
187.05986	3.1
194.03075	8.2
197.04488	10.4
199.17992	1.3
199.96335	1.3
215.05515	100.0
215.13927	1.4
227.09177	2.1
227.17670	2.5
228.01813	2.6
255.08630	20.1
294.87436	1.4
318.06497	1.9
336.07486	3.8
385.73080	1.2
414.24503	3.4
442.06540	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	441.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82312	1.4
56.96568	15.9
57.03436	2.3
67.09735	1.4
69.03433	2.0
74.32187	1.4
74.95996	1.7
84.96046	7.2
85.02906	4.4
90.18182	1.3
90.41183	1.4
97.02912	2.9
98.97595	100.0
101.00916	1.4
110.97573	33.8
111.60148	1.5
116.98628	34.2
117.03336	1.4
122.01403	1.8
124.99127	3.2
127.00699	2.1
127.03957	2.4
128.98611	28.3
129.93430	1.7
131.01895	2.4
131.51909	2.4
134.99637	7.3
137.51985	1.7
140.98575	9.5
143.00185	11.9
143.01964	3.1
146.99666	11.2
152.98605	5.6
158.99677	35.6
160.01251	2.3
161.01256	10.9
170.99683	27.2
173.01205	3.6
173.02901	1.7
177.00723	25.7
177.05586	2.0
182.99678	19.5
189.00716	29.4
190.49370	1.5
194.99632	2.0
195.01819	1.7
201.00725	53.9
203.02377	2.4
203.04115	3.1
203.54147	2.0
207.01807	3.9
209.53053	1.7
213.00891	3.6
215.33148	1.8
218.53397	3.8
219.01781	47.2
231.01782	5.1
237.02783	18.8
243.01776	20.2
245.05124	1.9
260.45389	1.7
261.02844	89.6
262.03253	2.1
262.54495	2.2
273.02875	9.5
279.03909	54.4
291.03909	21.8
303.03815	2.3
307.08792	3.3
321.04959	40.2
333.05063	4.3
344.08408	2.4
351.06146	6.5
381.07108	4.2
399.08124	3.5
441.09103	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
55.05505	0.8
58.06596	1.0
58.99570	2.3
61.01136	2.9
67.05516	1.5
69.03438	2.0
69.07059	2.1
70.06596	18.3
70.68828	2.4
71.06127	8.2
72.04517	3.7
72.08136	1.7
73.01150	0.8
74.06052	0.8
76.02232	1.4
77.00638	7.6
79.05485	1.2
81.03410	2.0
81.07057	1.9
84.04497	5.5
84.08124	2.7
85.02898	1.6
85.06546	1.7
86.06058	1.8
86.09708	9.8
91.05487	1.2
92.98342	4.6
93.07056	1.6
95.04939	1.1
99.05556	1.4
100.07632	1.3
104.98324	33.2
105.07030	1.5
107.08598	2.2
109.02850	1.3
109.10152	2.2
110.00977	0.8
110.07159	1.1
112.07618	8.5
113.04197	1.2
113.05990	1.8
114.03738	2.7
115.08701	1.0
118.03251	20.1
118.99897	0.7
119.08568	2.4
120.08114	2.4
121.10126	2.0
124.07600	2.3
125.09589	0.8
126.05531	1.2
127.03827	0.9
127.04991	0.7
129.10214	1.5
130.03238	22.3
130.08675	2.0
133.01431	15.6
133.10149	3.0
134.10455	1.0
135.11722	1.4
137.09624	1.8
142.08656	5.5
144.04764	1.6
146.00984	1.1
147.05881	48.4
148.09680	1.5
150.04050	3.9
152.01932	0.8
156.10284	0.9
157.04305	3.4
164.01994	3.0
171.05939	0.9
175.14778	1.6
183.11299	2.1
184.09770	4.2
191.03110	1.1
193.15877	1.0
201.12460	1.0
202.10724	1.2
204.05118	1.8
213.03918	0.8
213.12343	2.5
221.07793	100.0
222.07938	1.2
239.13951	1.0
245.09395	0.8
257.14987	1.1
259.11099	6.7
260.11795	1.7
277.12228	12.9
293.09921	12.8
294.56384	0.8
303.05099	0.8
311.09167	4.0
333.13037	22.0
351.14139	1.7
372.15646	0.8
421.79276	0.9
423.14294	2.6
423.19879	1.0
441.25876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64628	2.9
65.22146	2.6
69.03429	4.4
71.12933	5.7
85.02921	8.7
93.07072	3.1
95.01335	13.4
97.01110	5.9
107.72001	2.5
111.02682	27.8
112.03463	75.4
113.04233	15.7
125.06032	10.2
125.73204	2.5
142.99893	11.6
143.05298	13.9
144.06081	8.4
147.99559	2.7
153.05495	13.7
176.98639	100.0
183.43916	2.9
209.01251	30.7
215.05519	22.8
228.33957	2.6
237.28448	2.6
391.03476	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	440.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25973	1.0
52.88593	0.9
55.05503	2.8
55.69644	0.9
57.03444	4.5
57.07077	20.2
60.74228	1.1
61.20354	0.9
62.05793	1.2
62.06092	23.0
67.05486	3.4
67.05826	1.0
69.07056	3.9
71.08640	13.5
71.55307	1.3
72.31866	0.9
74.28053	1.0
81.07070	5.5
83.08617	4.0
85.10208	6.8
93.07034	1.0
95.08614	7.5
97.10129	1.2
98.98466	5.2
109.10150	2.9
124.01585	1.1
140.03468	2.7
142.02567	1.2
155.01051	5.4
198.05266	2.0
216.06305	2.3
224.19113	1.0
225.22165	1.6
243.23053	0.9
268.26294	8.1
299.25812	100.0
300.26160	2.9
379.22318	5.7
422.26440	1.2
440.15112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
55.05490	1.4
57.03435	8.5
58.99586	9.7
61.01150	3.6
67.05505	4.5
69.03432	24.5
69.07067	6.9
69.66336	3.3
69.66750	7.0
70.06591	4.2
70.99194	3.1
70.99586	45.4
72.00362	51.1
72.08156	2.5
73.01146	72.6
75.02695	4.5
79.05492	5.4
81.07059	3.5
81.52558	1.6
83.01398	1.7
85.02905	26.6
85.80614	1.7
86.09695	3.5
89.00629	14.9
90.01405	44.6
91.05518	2.3
92.98302	3.0
95.00754	2.7
95.01333	36.1
95.04965	5.1
95.08600	3.1
97.06542	6.4
98.21445	2.0
99.04379	1.9
101.04253	2.9
102.96072	2.5
102.96760	48.7
103.03958	2.0
103.97542	21.7
104.98326	6.6
107.04948	2.9
109.06495	1.8
111.02675	2.9
112.03440	4.5
113.02398	2.4
113.04240	10.8
116.98286	2.3
120.08117	2.0
120.97803	2.0
121.06527	2.0
123.04430	1.7
125.06001	33.5
127.03900	2.0
135.19286	1.5
136.95499	40.4
137.05922	1.9
140.33882	1.5
142.99863	4.6
143.07056	2.5
144.00648	2.7
145.01431	2.8
148.10471	1.4
151.03896	3.2
152.94975	5.1
153.03691	2.5
153.04204	1.8
153.05463	22.2
154.96545	59.8
161.00916	6.5
176.98625	2.4
197.04538	1.6
215.05540	15.4
226.96884	100.0
227.03639	2.3
252.30313	1.4
254.83871	1.8
351.00479	2.6
400.36493	1.4
441.25986	1.4
448.72809	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83604	9.3
61.01150	39.9
67.05503	16.8
69.03424	18.5
69.59912	56.0
70.06576	22.7
73.01141	100.0
76.94241	9.9
78.96783	19.0
79.05482	13.4
81.07068	19.7
84.08156	13.3
85.02895	13.3
86.09711	18.6
92.98305	15.1
93.07011	12.8
95.01327	22.7
95.08643	17.6
97.06544	14.1
100.34238	10.5
104.98339	62.6
111.02627	12.1
112.03461	13.1
113.04232	42.2
119.08521	17.1
120.08121	13.1
121.01440	42.2
125.05979	26.0
137.00916	18.8
145.01509	11.2
147.02963	34.3
149.20129	11.6
153.03712	10.5
161.00949	11.5
175.11168	11.9
176.98520	12.9
203.54590	11.5
226.96927	21.2
277.53369	9.8
363.84772	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	439.1966
Annotation	Phlebotrichin
Peak:m/z	Relative Intensity
50.81747	2.0
53.03941	8.8
55.01864	8.2
55.05516	29.7
56.05029	3.9
57.03427	9.0
57.07068	4.2
59.04998	3.3
60.04503	2.9
60.08157	3.9
61.02943	2.3
65.03925	6.2
66.61542	2.0
67.04242	2.6
67.05511	18.7
68.99780	4.5
69.03130	2.4
69.03433	29.2
69.07082	12.9
70.06596	57.0
71.04982	5.7
71.55999	2.3
72.08168	12.9
73.01142	2.5
74.06091	3.3
79.05495	17.4
81.03422	47.8
81.07060	26.2
83.04987	83.2
83.08615	10.9
84.04486	10.0
84.08146	20.3
85.02906	25.6
85.06544	6.0
86.09712	45.0
87.00838	13.3
87.10022	4.9
90.51695	2.2
91.05486	23.9
93.07046	18.4
95.01328	3.9
95.04975	28.3
95.06094	2.6
95.08615	22.0
96.08126	2.5
97.02899	42.3
97.06551	14.7
99.04437	10.0
102.86229	2.1
103.05457	3.9
105.01855	3.2
105.07027	23.1
107.04955	9.7
107.08603	30.5
109.02217	3.1
109.02884	33.9
109.06526	26.3
109.10151	18.5
110.07161	9.6
111.02684	2.9
111.04448	100.0
111.08081	10.3
113.09673	5.8
115.03927	3.7
116.07085	4.5
117.06995	4.5
119.04996	2.5
119.08584	22.1
120.08131	16.1
120.14811	2.0
121.06518	12.0
121.10149	23.7
123.04432	4.3
123.08079	49.3
123.11709	7.3
124.07570	2.1
125.01686	7.5
125.05991	6.7
125.09628	5.9
127.03965	40.5
129.07047	2.8
129.10222	10.4
131.04848	1.9
131.08586	16.9
133.06496	5.2
133.10156	21.8
135.08073	16.5
135.11667	10.1
136.07579	4.1
137.05956	7.2
137.09656	4.6
139.07590	3.1
142.07770	2.5
143.08562	6.4
145.05063	2.0
145.06473	4.8
145.10124	9.0
147.08052	9.1
147.11691	14.2
148.73923	2.4
149.05960	6.6
149.09604	6.9
149.13272	11.8
151.03934	2.7
151.07550	82.7
151.11163	5.8
153.09093	8.8
155.07118	3.3
155.08397	3.0
156.09367	4.0
157.10190	2.3
158.10938	5.0
159.02948	4.5
159.11723	5.9
161.05968	4.6
161.09576	5.7
161.13210	3.8
163.07454	5.1
163.11183	26.2
163.14859	5.6
165.09096	4.4
165.12679	2.4
167.06433	4.2
167.14165	2.5
169.10130	2.7
171.11674	4.9
173.09604	4.4
173.13268	24.8
173.15463	2.6
175.07629	2.5
175.11113	2.5
175.14824	8.9
177.09138	2.1
181.12234	4.9
183.14929	6.8
187.07545	2.5
189.09270	2.6
189.12729	15.8
191.07004	4.0
191.10638	3.1
191.14322	64.9
191.16072	4.0
197.04411	11.8
201.09164	2.5
203.14351	2.4
207.13821	40.3
209.15295	13.5
211.14433	9.7
213.03876	5.1
215.05496	2.8
215.14221	2.7
217.08607	2.3
222.27180	2.1
223.03563	2.2
224.03716	2.8
225.14842	7.8
226.13741	4.2
227.14079	4.9
229.15730	2.6
232.05090	2.3
233.15381	4.5
257.15314	3.7
263.16394	3.2
275.16409	3.7
299.16360	6.0
303.85645	2.0
317.17679	2.3
324.22882	2.1
335.18427	4.4
336.04050	3.9
395.11353	15.2
396.10901	2.5
403.17337	2.9
421.18622	11.9
439.14081	2.0
439.19565	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01296	0.4
53.03947	0.4
55.01860	0.7
55.05518	2.5
57.03434	0.7
57.07078	0.9
61.02897	0.5
65.03932	0.5
67.05511	3.7
69.03437	6.9
69.07080	2.7
69.56374	3.1
70.06598	4.6
72.08142	1.6
79.05134	0.5
79.05508	5.5
81.03416	1.5
81.07055	4.8
83.04976	2.5
83.08614	1.3
84.04459	0.5
84.08138	1.5
85.02916	3.4
85.06536	0.8
86.09711	3.5
87.00832	1.4
88.86758	0.4
91.05474	6.6
93.07041	4.0
95.04958	3.4
95.08611	1.8
97.02898	1.2
97.06515	1.2
98.09695	1.3
98.21518	0.8
100.07608	1.1
100.11250	1.3
103.05442	0.6
104.98315	0.5
105.01866	1.0
105.07043	8.0
107.04956	3.7
107.08599	16.0
109.02903	2.2
109.06540	2.3
109.10166	7.0
110.07190	1.1
111.04443	1.7
112.07616	0.5
113.04259	0.7
115.05472	1.1
116.07089	0.8
117.07040	1.6
119.08578	4.4
120.08130	1.1
121.06508	1.7
121.10148	11.4
121.15749	0.6
122.07294	4.8
123.04436	0.5
123.08083	1.5
127.03922	1.9
128.07100	1.0
129.06993	1.0
129.10257	0.7
131.08533	2.9
133.10139	100.0
134.10442	0.9
135.08049	5.7
135.11690	1.2
137.06047	1.1
137.09627	51.9
138.09964	0.5
142.12279	1.2
143.08592	0.9
144.09242	0.5
145.05058	0.5
145.10147	1.8
147.08012	1.0
147.11682	2.8
149.09634	5.0
149.13264	7.4
151.07559	0.7
151.11211	0.7
158.10962	1.4
159.04773	0.5
159.08061	0.7
159.11642	0.6
161.09641	1.0
161.13339	0.5
163.14828	1.6
168.13867	1.3
170.11813	1.0
170.15387	0.7
171.11661	0.7
173.09669	0.6
173.13260	5.1
182.15385	2.2
185.13271	0.6
187.11229	0.9
189.12614	0.9
191.14322	35.3
198.14899	1.0
201.12749	0.8
203.14270	1.0
207.13757	0.6
210.14818	2.8
213.03993	0.7
215.14294	0.7
233.15424	0.6
244.20311	1.0
263.16452	0.7
273.14899	0.5
295.23990	0.8
299.16348	0.8
335.18622	1.0
337.21240	0.5
353.19785	0.8
396.28519	2.2
403.17856	0.7
421.18936	0.7
422.30313	1.1
439.19537	6.4
439.32895	1.2
445.41687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05502	2.3
56.83819	0.6
67.05492	2.8
69.03436	4.8
69.07067	1.7
69.91487	2.4
70.06597	1.1
79.05492	5.8
81.03426	1.5
81.07066	6.3
83.04981	2.2
83.08620	0.7
84.08144	0.9
85.02911	2.3
85.06557	0.6
87.00844	1.1
91.05484	5.9
93.07059	4.1
95.04997	3.0
95.08604	1.9
95.17814	0.7
97.02899	1.0
97.06536	0.7
98.20806	1.0
105.01849	0.9
105.07032	8.6
107.04974	3.1
107.08602	17.8
109.02888	1.7
109.06517	2.5
109.10165	6.4
111.04454	0.7
115.05463	1.5
117.07038	2.4
119.08585	3.2
119.27508	0.6
121.06509	2.3
121.10155	11.2
122.07302	6.6
123.08100	0.9
127.03918	2.1
127.72965	0.6
131.08583	2.3
133.10138	100.0
134.10448	1.4
135.08060	5.3
135.11699	1.2
137.05965	1.0
137.09624	48.5
138.09944	0.9
143.08562	0.8
144.09294	0.7
145.10141	1.7
147.11667	1.8
149.09662	5.5
149.13274	7.8
151.07520	1.0
157.10068	0.7
158.10841	1.1
159.11717	0.9
161.09636	0.6
163.14828	1.6
171.11739	1.2
173.09631	0.7
173.13269	5.8
184.07384	0.8
189.12827	0.9
191.14316	37.4
192.14644	0.8
201.12804	0.7
205.15939	0.7
231.13812	1.0
354.83539	0.7
421.18796	0.6
439.19547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	18.4
57.07073	5.1
62.06102	30.0
67.05503	17.9
69.07077	18.5
69.61450	4.7
71.55080	7.0
79.05495	7.8
81.07052	14.5
83.08627	12.0
93.07059	11.5
94.17239	4.2
95.08614	8.0
97.06541	13.7
97.10162	4.3
98.98473	10.3
104.98321	4.0
107.08634	9.2
109.10126	6.7
113.04236	9.4
121.10159	16.2
129.05516	11.1
135.11693	6.2
155.00981	6.7
164.11586	4.0
186.87119	4.2
205.19507	11.3
223.20615	9.2
247.91185	4.3
266.24774	8.0
282.36142	4.1
297.24261	100.0
302.65799	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01868	1.0
55.05507	2.2
57.03438	0.8
57.07085	0.8
62.26220	0.6
63.09957	0.8
67.05504	3.4
69.03437	6.9
69.07056	2.7
70.06598	4.5
71.55827	0.6
71.56222	1.3
72.08142	1.6
73.01121	0.8
74.94637	0.7
79.05493	6.0
80.74979	0.7
81.03419	1.3
81.07060	5.0
83.04980	1.5
84.04510	0.8
84.08138	2.2
85.02905	3.8
86.09694	3.3
87.00843	2.0
91.05478	5.9
93.07034	4.1
94.04112	0.7
95.04990	3.8
95.08619	2.2
97.02884	1.7
97.06509	1.3
98.30406	0.6
99.04437	1.1
103.05435	0.8
105.01864	1.0
105.07031	8.5
107.04982	4.3
107.08601	18.5
109.02889	1.6
109.06531	2.4
109.10158	7.7
110.07175	1.2
111.04414	0.8
113.04300	0.9
115.05496	1.3
117.07005	1.6
119.08564	3.9
120.08128	1.2
121.06541	1.3
121.10155	11.6
122.07286	5.2
123.08047	1.8
127.03909	3.6
129.07002	0.8
129.10269	1.8
131.08556	3.1
133.10139	100.0
134.10481	2.4
135.08058	6.1
135.11711	1.7
137.06021	1.1
137.09625	51.0
138.10089	0.7
139.03966	0.7
143.08577	0.9
145.10167	2.1
147.08009	0.9
147.11702	3.3
149.09653	7.4
149.13263	7.8
151.11185	1.5
155.08559	0.7
158.10869	1.6
161.09647	0.7
163.14842	1.6
171.11758	0.8
173.09592	0.7
173.13274	6.4
175.11159	0.9
189.12872	0.8
191.14323	39.5
201.12715	1.2
213.03947	0.9
215.14291	0.8
231.05017	0.8
231.13884	0.7
234.22215	0.7
241.37410	0.6
273.14798	0.8
278.60730	0.8
299.16675	1.1
301.98914	4.6
335.18686	0.8
353.19711	0.6
403.17578	0.6
421.18558	0.9
438.99866	2.8
439.19516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45573	1.5
55.01869	3.1
55.05518	2.3
55.59950	1.7
58.06562	1.7
58.38256	1.7
58.99577	2.0
59.32317	1.5
59.53212	1.5
69.03429	5.8
69.07069	7.5
69.57717	1.4
70.06600	9.1
70.88642	1.5
71.08635	49.1
71.56030	2.2
72.08138	2.6
73.01138	4.7
73.02892	2.6
74.09728	2.3
74.39305	1.4
81.03422	6.3
81.07059	2.4
84.04532	3.8
84.08140	3.9
85.02907	16.7
86.09703	5.4
87.00848	7.6
87.90293	1.5
97.02892	10.0
97.06497	1.8
99.02702	1.9
99.04480	4.7
99.08099	100.0
101.04261	3.1
104.98318	4.4
105.01897	7.5
109.02871	6.3
111.99590	1.8
113.04258	11.9
114.04549	1.8
115.03841	1.8
115.05786	2.1
116.98326	1.9
120.08102	2.9
127.03902	10.1
129.12781	12.1
134.93263	2.0
142.03284	1.9
145.01405	3.1
145.04959	4.5
147.02950	2.1
155.14275	2.4
159.02922	3.5
162.05869	2.6
173.15382	58.2
185.00728	6.3
207.78696	1.5
235.02902	2.4
306.50723	1.7
441.84738	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79787	0.8
51.44307	0.7
53.03942	0.9
55.05492	1.0
56.05029	2.3
58.06603	5.5
58.99574	2.8
60.04523	0.9
60.08170	15.9
61.01125	1.1
67.04253	18.6
67.05497	3.2
68.05036	2.2
69.03412	1.2
69.05804	3.1
69.07069	13.2
70.06249	1.2
70.06596	13.2
71.55477	1.4
72.00363	1.1
72.08160	7.0
73.01162	1.3
74.06077	4.7
75.02670	1.3
79.05484	3.3
79.05984	0.7
80.54071	0.8
81.03415	1.2
81.07078	1.1
83.04962	1.4
84.04497	3.4
84.08150	8.6
85.02901	1.6
86.09711	65.3
87.05597	0.9
87.10043	11.8
87.20619	0.8
89.02364	0.8
91.05457	1.0
93.07044	1.6
94.06583	1.6
95.08613	1.2
97.01113	2.3
97.02916	1.1
97.06509	2.8
98.00615	1.7
99.01421	2.3
99.02663	2.7
100.02206	2.1
101.04260	6.6
101.07104	0.9
102.05535	1.2
105.06998	1.3
110.06011	2.6
110.07173	2.4
110.93980	1.2
111.02674	15.7
112.03455	8.1
113.01708	1.0
113.04241	7.9
113.07151	0.9
115.02125	0.9
116.07130	1.1
119.04919	0.9
120.00649	3.4
120.08115	6.2
121.08428	1.7
122.06033	0.8
123.08093	0.9
125.01710	42.7
125.04237	1.8
126.02489	17.2
127.03265	32.2
129.03717	4.9
129.10263	4.6
129.53487	0.9
130.04482	3.7
131.08185	2.7
133.01393	1.7
133.07538	1.1
133.10193	1.0
136.07602	2.3
137.02950	0.9
138.03758	2.0
142.99892	4.7
143.11794	2.2
146.09595	1.1
148.07483	1.1
152.05296	3.1
159.07658	3.9
159.09048	0.8
161.00890	0.9
164.01692	0.9
165.83252	0.8
166.08606	1.3
167.06390	36.7
171.11446	0.9
173.02052	12.3
175.03539	1.2
178.06871	3.3
180.08400	1.3
185.09843	15.3
186.10605	5.9
187.14377	1.2
191.06343	1.0
203.06308	1.4
204.05020	0.9
204.07158	3.0
204.10242	1.1
204.99069	1.2
205.07990	2.4
209.02025	1.3
210.02184	1.7
223.03595	14.3
226.11519	1.9
226.13754	39.9
227.14026	1.5
228.04845	0.8
230.15384	0.9
237.05165	23.8
238.03484	1.1
238.05722	1.2
240.13896	2.2
253.04610	1.4
258.15063	1.2
259.08154	1.9
266.02832	1.1
268.09427	2.0
272.16211	1.4
273.16425	1.8
276.16089	2.1
280.17392	1.2
282.10962	7.3
284.04126	4.7
286.14407	3.8
296.12497	4.7
298.14276	1.4
314.13794	8.9
315.14267	1.4
317.02765	5.3
332.14996	4.2
335.03763	36.5
351.03140	1.9
356.14832	1.2
374.15869	3.9
376.10284	1.6
379.03119	1.2
394.11118	100.0
395.11295	3.3
426.69846	0.9
430.46817	1.4
438.10007	2.7
447.57523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06345	1.6
58.06609	20.1
58.99572	3.2
60.07882	1.5
60.08171	23.9
67.04253	20.2
67.05515	1.7
68.05037	1.7
69.05804	2.0
69.07071	5.0
70.02481	4.4
70.06599	1.7
73.36156	0.9
74.91074	1.1
78.27781	0.9
79.05502	1.3
84.08163	1.1
85.01153	1.5
86.00699	1.4
86.09708	2.3
95.06123	1.1
96.05777	1.2
97.01113	3.0
97.06551	2.6
98.00660	1.3
98.21363	1.1
99.01434	2.8
99.02700	2.0
100.02203	2.6
101.04250	3.5
102.05564	1.3
111.02669	15.1
112.03455	4.1
113.01713	2.7
113.04212	4.6
115.02201	1.0
120.00702	1.3
125.01711	45.0
125.04219	1.4
126.02502	22.4
127.03271	30.1
129.03725	4.8
130.04492	2.3
133.01419	1.4
137.04199	1.2
138.03764	1.6
142.99876	4.7
151.03249	1.2
152.05281	2.7
167.06400	47.2
169.12151	1.8
173.02043	10.2
173.49782	1.0
178.06938	5.2
185.09842	32.3
186.10605	10.9
190.05707	1.1
191.06436	1.0
203.06409	2.1
204.07187	4.3
205.08002	2.2
209.02000	1.1
211.11354	1.3
223.03609	17.4
226.13750	53.0
227.14040	1.3
237.05176	27.5
238.05870	1.5
239.03040	2.4
253.04596	1.7
259.08167	2.3
268.09351	8.5
281.04047	1.6
282.10980	24.8
296.12604	8.9
298.14117	1.4
314.13452	2.6
315.14279	2.2
317.02753	3.5
326.09955	1.4
335.03726	12.1
362.08319	1.5
373.48181	1.0
376.10159	1.2
379.80954	1.0
394.11136	100.0
395.11469	2.4
438.10110	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	437.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	36.4
60.04537	5.2
61.01155	20.3
67.05507	0.9
69.03415	0.9
69.07073	9.9
70.02958	1.3
70.06596	7.5
71.05001	1.0
72.08156	3.4
74.06070	1.2
84.04500	3.6
84.08145	4.0
85.02906	1.4
86.09713	93.2
87.05603	14.2
88.04008	2.8
97.06538	3.0
97.07655	0.8
98.06076	2.9
98.06806	1.5
98.20753	2.2
102.05553	1.1
104.05338	100.0
106.05069	1.7
107.99410	2.1
109.02832	0.8
110.07159	1.4
112.48750	0.7
115.08765	1.0
120.08125	2.7
125.10753	0.9
126.05553	1.1
127.03893	0.8
128.10709	1.0
129.10257	2.4
130.05022	2.1
131.05327	0.8
136.07628	1.3
143.08171	35.4
153.06601	0.9
155.11763	1.7
167.06418	0.9
173.07500	1.0
173.12889	8.7
183.11272	4.8
189.08710	1.1
191.08513	15.2
201.12346	12.4
211.01999	1.2
219.08008	21.8
237.09053	35.4
239.82738	0.8
269.13168	1.8
272.82773	0.7
277.41919	0.7
286.48965	0.9
287.14175	0.8
306.11191	5.8
314.15317	8.2
324.12314	8.3
332.16516	1.3
401.18716	0.8
419.19440	2.6
437.20178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27113	1.5
58.03817	1.5
67.05499	3.4
69.03436	2.2
69.07082	3.1
70.06592	3.3
70.26175	1.7
71.12540	3.6
72.97272	1.7
73.01137	3.7
74.86414	1.5
79.05484	2.3
81.07041	2.9
84.08149	2.5
85.01139	21.3
85.02914	1.8
86.09747	1.9
93.07037	1.7
95.01315	4.3
95.08572	2.8
97.02922	1.7
97.06524	3.0
101.04231	2.9
103.97543	1.5
104.98305	1.6
111.99571	53.1
113.00334	2.0
113.04240	15.2
120.08063	2.1
125.05988	2.7
127.93632	4.0
133.10080	1.5
136.95657	1.6
142.99847	12.5
145.01352	1.8
151.01845	2.4
153.05460	2.3
157.01433	8.7
158.02167	2.4
169.02945	2.7
182.99115	56.5
183.99883	22.3
185.00674	100.0
199.99339	3.1
201.00160	8.6
203.01714	3.1
215.05479	2.0
222.97389	4.5
224.01663	1.6
226.03389	2.2
257.00989	8.4
273.00507	85.2
274.00937	2.5
291.53668	1.6
347.02426	75.6
348.03146	2.6
363.01895	2.2
437.03241	10.8
437.30740	1.9
460.55371	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.7
56.05035	1.9
56.35093	0.6
57.05803	1.1
60.04521	2.0
69.07070	1.3
70.06596	11.1
71.06895	1.0
71.54926	1.2
72.08159	100.0
73.08504	0.8
74.06085	1.8
81.07063	0.7
84.04507	3.1
84.08151	7.5
85.02915	1.1
86.09708	11.0
88.04013	2.0
91.05485	1.2
93.07049	0.7
93.59108	0.6
97.02914	0.8
102.05570	1.2
103.05478	1.6
104.05364	1.4
107.04984	1.2
110.07192	2.6
114.03813	1.4
116.07101	2.2
120.08112	77.1
121.08462	1.1
129.10240	4.4
130.05099	1.2
130.06554	1.7
136.07632	1.3
137.42302	0.8
144.06606	0.8
147.07680	1.1
159.09175	1.1
161.09314	0.8
161.97165	0.8
166.08626	1.3
177.10248	28.8
191.11836	1.1
205.09753	23.7
205.11707	1.2
219.11382	1.1
221.13060	1.1
223.10895	1.2
233.11331	19.2
257.12650	0.9
259.14536	3.2
263.14050	2.3
275.13849	1.5
285.88531	0.8
304.16571	3.6
313.25101	0.8
437.19278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99304	3.2
53.03938	13.1
55.01857	10.9
56.05037	4.5
56.25640	3.1
57.03439	5.1
60.04533	4.6
61.02916	6.5
65.03945	3.1
68.99792	6.5
69.03434	33.3
69.70649	14.4
69.71060	7.0
70.02962	3.4
70.06596	18.8
71.04981	7.1
72.08152	5.8
73.02901	7.9
73.90981	3.5
75.28075	3.4
81.03422	35.2
84.04485	5.8
84.08146	17.3
85.02912	100.0
86.09669	3.6
87.00824	34.1
91.03949	5.6
97.02898	38.5
97.06534	7.4
98.06100	4.4
99.04478	18.9
105.01867	27.5
107.04949	12.3
108.04468	8.4
109.02888	40.4
111.04420	14.3
112.07613	3.8
117.01846	6.4
120.08159	4.7
126.05535	4.9
127.03926	58.4
129.10229	9.4
130.05026	5.7
138.86302	3.7
139.03922	46.7
145.04982	29.8
147.02806	3.2
151.07579	6.3
159.02931	22.3
163.03938	20.0
171.06531	58.5
181.04965	7.8
189.03961	6.1
195.06525	28.3
211.02031	4.4
213.07668	24.4
222.32948	3.2
231.04993	8.6
237.07549	15.7
240.97327	3.6
248.07622	8.1
261.07507	10.8
279.08652	18.3
389.71106	3.4
436.22827	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	436.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82568	4.2
53.03942	10.2
55.01864	9.3
56.05062	4.3
57.03429	11.5
61.02926	4.6
69.03441	31.2
70.06589	14.7
70.53771	8.7
72.08154	5.6
73.02921	10.7
81.03422	31.1
83.04966	4.3
84.04501	9.6
84.08136	17.1
85.02432	6.5
85.02914	100.0
86.09708	11.3
87.00837	34.0
97.02900	34.9
99.04449	16.4
101.32901	4.4
105.01911	26.9
107.04916	4.2
108.04462	9.6
109.02886	40.2
110.07157	4.3
111.04430	17.3
120.08106	5.5
127.03948	53.3
129.01807	6.6
130.04950	4.4
135.04498	4.4
139.03911	41.8
145.04987	30.4
151.07552	5.9
159.02893	15.7
163.03929	14.9
171.05132	7.3
171.06529	67.4
181.05008	5.1
189.04016	5.3
195.06592	24.9
208.97821	4.6
213.07582	18.5
222.05261	4.1
230.06699	3.8
231.04926	9.5
237.07588	14.1
279.08615	18.2
391.64349	4.2
392.09729	9.0
405.18634	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	435.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07281	6.6
55.05514	13.9
57.03419	10.1
67.05505	58.2
69.07056	31.5
69.98653	37.1
73.96517	7.2
79.05467	19.7
81.07059	59.4
83.08598	19.3
91.05484	13.3
93.07021	16.9
93.23676	6.1
95.08620	57.0
98.98483	100.0
105.07042	9.7
107.08601	18.8
108.57865	7.0
109.06534	9.9
109.10153	24.3
119.08578	10.4
121.10120	10.5
123.11671	9.7
133.10162	15.9
148.89923	6.9
155.01067	59.0
173.02177	8.8
184.35332	6.6
196.81740	6.8
245.22697	17.0
263.23752	45.5
312.65134	8.9
337.27505	65.7
458.86346	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	435.2511
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.02999	3.4
51.47538	3.4
54.94434	3.1
55.05516	23.1
57.03431	11.2
67.05504	47.5
69.07080	26.2
69.61261	23.5
79.05490	15.4
79.82665	3.0
81.07065	48.6
83.08607	13.4
85.06521	3.7
91.05480	15.1
93.07051	21.4
95.08630	43.5
97.06510	7.6
97.10199	5.9
98.98471	67.0
105.07035	18.9
107.08589	10.3
109.06522	50.7
109.10148	17.4
111.08103	3.9
119.08571	12.3
121.10175	11.5
123.08053	4.6
123.11678	8.7
130.60031	3.2
131.08644	4.8
132.32536	3.4
133.10106	11.7
135.11659	6.7
137.09633	4.9
141.00505	3.3
145.10129	4.8
147.11729	5.0
151.07564	4.2
155.01062	26.8
157.10117	5.0
173.02011	8.3
175.11237	4.6
175.14804	3.6
189.16512	4.4
245.22711	9.6
263.23682	20.3
337.27399	100.0
435.29001	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	435.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
57.03440	1.3
57.07069	2.5
59.05006	1.1
65.45367	0.7
67.05510	6.6
67.39385	0.7
68.29156	0.7
69.03434	1.3
69.07060	2.1
69.67556	2.2
69.67964	2.2
71.05001	1.7
79.05492	7.0
81.07062	12.0
83.04967	1.2
83.08611	1.6
85.06551	1.3
91.05497	6.8
93.07056	8.7
95.04952	2.9
95.08631	8.5
98.98479	9.0
105.07041	10.6
107.08611	5.1
109.06529	100.0
109.10136	2.8
111.08072	1.9
115.05394	0.8
117.07030	2.5
119.08582	7.7
121.06517	1.6
121.10139	3.8
123.04457	0.9
123.08070	6.0
123.11689	1.5
125.06066	0.9
128.06192	1.9
129.07014	2.5
131.08595	4.2
133.06467	0.9
133.10130	5.3
135.08078	4.6
135.11674	1.3
137.09641	2.0
142.07796	2.8
143.08568	5.8
144.09357	1.2
145.10101	5.6
147.08043	3.2
147.11705	1.4
149.09610	1.5
151.07533	7.6
153.09085	1.3
155.01015	3.1
155.08551	2.8
156.09329	2.0
157.10141	6.5
159.08109	1.3
159.11697	3.5
161.09616	2.8
163.11189	1.7
165.07106	1.0
165.09114	3.4
167.08551	1.3
168.09312	1.1
169.10129	4.2
171.11693	3.6
173.02068	1.2
173.13275	0.9
175.11221	1.1
181.10120	1.5
182.10924	2.2
183.11760	6.2
185.09683	1.5
185.13289	2.4
189.12756	1.8
191.14311	1.0
193.10146	1.4
195.11717	2.5
197.13318	4.2
201.12770	1.9
203.14407	1.5
207.13840	1.9
209.13255	3.2
209.15254	1.3
211.11215	1.3
211.14919	1.3
215.14270	0.8
221.15396	5.5
227.14282	2.6
229.12453	1.2
233.15445	0.9
245.22658	1.2
255.17410	2.3
261.16541	0.8
263.23718	3.2
267.17435	0.8
275.17749	0.9
277.18048	1.0
286.19327	3.1
300.20932	1.4
312.20786	2.6
337.27335	8.5
343.22604	1.5
403.91766	1.0
408.66858	0.9
417.27850	1.8
435.28931	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	435.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37638	2.5
55.05513	3.3
55.18455	2.4
56.05041	24.0
57.03428	3.4
58.06598	11.0
60.04527	7.6
66.15068	2.7
70.06593	10.2
71.54130	3.2
71.54527	3.3
72.08174	19.4
74.06083	100.0
84.04504	26.9
84.08126	5.3
85.02898	7.2
86.06068	6.6
86.09708	88.1
88.03964	4.6
93.36994	2.6
97.02880	4.0
101.07159	27.9
102.05537	13.4
104.05315	6.0
112.07601	3.1
116.07080	3.9
120.06576	24.6
124.11236	2.8
126.12826	3.8
127.03923	3.6
130.04997	5.5
130.08672	6.1
132.10229	4.3
133.06067	2.8
142.12297	13.3
143.11810	10.3
144.02699	2.5
151.07541	4.7
152.07991	4.2
159.07683	6.6
171.07729	3.0
181.05984	3.2
185.09254	17.8
187.05824	2.8
187.14417	91.1
203.10303	34.2
213.08777	3.5
215.13934	39.6
219.01971	3.4
221.11330	53.5
227.06447	4.5
231.09784	5.1
244.09361	4.4
298.17532	4.8
316.18655	11.5
321.41840	2.8
332.14429	3.2
399.22287	6.2
417.23358	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	435.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05516	3.3
56.63360	1.9
58.06590	2.0
58.99376	2.0
58.99596	22.6
61.01160	36.8
65.03944	4.2
67.05503	15.4
69.07072	39.9
69.88928	9.0
70.06606	12.4
70.99596	4.3
72.08162	5.3
73.00779	3.1
73.01151	35.3
79.05495	9.6
81.03452	2.8
81.07084	2.9
84.04520	6.1
84.08146	7.3
85.01149	2.6
85.02905	3.1
86.09707	8.6
86.99021	2.5
87.02711	4.9
89.04254	9.8
91.05499	4.8
92.98326	7.7
95.04974	7.0
96.05771	7.4
97.06544	25.9
98.06053	4.2
98.21536	2.1
99.02147	2.2
99.02664	10.1
101.04253	33.5
103.97528	4.3
104.98327	49.0
105.06976	2.4
107.08614	4.4
109.06518	3.2
109.10136	3.3
110.07147	3.0
111.02700	21.3
112.03474	9.1
113.04240	100.0
115.02139	5.3
116.98315	4.3
127.02182	3.7
129.03720	75.2
129.10236	3.4
130.04430	12.7
131.05240	10.2
133.01428	4.0
136.95494	5.5
137.00919	4.0
139.05772	11.5
142.99905	10.3
144.06583	5.0
145.01422	12.7
145.03200	3.6
147.11742	3.3
150.63867	2.2
152.06558	2.1
156.92743	6.1
161.00920	14.0
162.05852	3.2
163.02510	2.9
173.09299	4.6
177.04083	4.2
181.04890	2.9
183.02997	7.3
201.12341	2.0
235.02888	5.4
291.10202	3.0
345.00809	3.5
356.05276	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	434.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
53.19460	1.7
55.01868	6.0
55.05509	8.6
57.03434	4.6
58.99582	2.7
61.02940	2.0
67.05505	20.8
69.03425	6.1
69.07061	13.5
70.06599	15.9
71.05000	19.4
71.55758	2.5
72.08146	6.8
76.02248	2.3
79.05498	25.2
81.03418	6.2
81.07058	28.9
83.04977	6.5
84.04520	6.0
84.08149	10.2
85.02921	12.8
85.06549	19.3
86.09720	10.1
87.04470	6.2
87.46112	1.5
89.59879	1.8
91.05483	18.4
93.07055	20.0
95.04967	5.7
95.08622	12.9
97.02905	4.0
97.06536	13.3
99.04456	3.7
99.08105	22.5
100.11299	1.9
103.03979	2.2
104.98325	2.5
105.07053	17.4
107.04961	2.3
107.08570	9.8
109.02879	2.6
109.10173	5.1
111.08086	4.4
113.04225	5.3
113.06011	1.7
115.03935	3.8
115.05473	2.3
116.07134	1.6
117.06994	11.4
119.08587	100.0
120.08095	4.8
121.06513	9.3
121.10156	8.9
123.08069	5.1
123.11710	2.5
124.86503	2.0
126.05546	2.8
127.03950	3.9
129.03766	2.7
129.06979	6.4
129.10271	5.4
130.06606	2.0
130.37660	1.6
131.08560	21.0
133.06474	1.6
133.10135	11.0
135.08063	7.5
135.11743	2.7
139.07529	2.7
141.06992	3.9
144.09351	2.1
145.05057	2.5
145.10127	5.7
147.08022	2.7
147.11731	2.3
151.07549	2.9
155.08559	3.4
157.10132	8.1
159.08284	5.6
159.11708	35.0
161.13275	47.6
163.37868	1.6
167.07048	1.9
168.09393	1.8
173.09622	2.6
173.13271	6.0
177.12776	14.7
179.04851	2.3
183.11664	11.4
189.04097	2.3
191.14409	4.4
201.12726	17.1
205.12248	67.3
219.13773	15.5
223.13321	12.7
237.14873	34.4
255.15932	1.9
334.21283	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.9
56.05034	1.2
57.03441	10.8
58.59183	1.0
60.83929	1.0
61.02917	1.1
69.03443	1.8
70.06600	5.1
70.83841	1.1
70.84161	1.7
71.01309	1.2
71.04995	81.0
72.08150	2.2
73.02950	2.1
75.04481	5.1
81.03412	1.6
83.04993	8.1
84.04486	1.2
84.08150	2.9
85.02908	100.0
86.09712	3.7
87.04464	1.2
91.05484	23.6
97.02904	6.9
99.04453	1.0
103.03963	1.0
105.06996	2.1
110.06110	1.5
111.04453	5.2
112.08723	0.9
120.08105	2.3
126.08685	0.9
127.03952	5.1
129.05484	45.0
129.10228	1.3
129.79254	1.0
133.06461	2.2
145.04953	4.0
146.08151	1.7
147.06523	25.9
148.06790	1.0
156.88562	0.9
163.06021	1.1
164.09181	6.7
165.07745	1.0
171.06514	1.0
175.07553	2.1
178.03183	0.9
182.24777	0.9
200.13939	1.1
225.07593	1.1
253.10791	1.1
255.08769	2.1
273.09671	1.1
305.69257	1.0
309.11682	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01870	8.8
55.05506	2.8
56.05026	4.7
57.03426	7.3
58.06586	1.6
61.01166	2.3
61.02931	7.5
68.99779	3.6
69.03429	35.6
69.07079	2.6
70.06256	2.2
70.06602	32.2
71.04987	3.3
71.55105	2.3
72.08153	19.9
73.01134	1.7
73.02926	8.6
74.06068	3.1
77.91389	1.6
78.39269	1.5
79.05476	2.4
81.02976	2.2
81.03419	27.6
83.06117	1.5
84.04504	11.0
84.08150	33.7
85.02908	100.0
85.08446	2.0
86.09711	26.6
87.00832	36.0
87.04425	1.9
87.05562	2.5
87.10025	2.6
88.03995	2.3
91.03964	3.4
91.05486	21.3
95.04968	2.5
97.02288	2.0
97.02898	32.4
98.06014	1.8
99.04457	12.9
101.02335	1.6
102.05544	3.1
104.05333	2.6
104.10313	1.4
105.01871	44.4
105.07026	3.5
108.04490	2.7
109.02884	30.0
109.06503	2.3
110.07153	5.6
114.80154	1.7
115.03935	2.7
116.07124	3.6
117.01840	3.5
119.04934	12.4
120.08095	6.4
123.05606	1.5
126.05511	3.7
127.03926	64.8
128.06235	2.4
129.01831	3.6
129.06967	2.3
129.10252	17.1
130.06540	1.5
130.08617	1.6
130.10623	1.4
133.06516	3.4
136.05223	2.5
136.07553	4.2
137.05988	4.2
145.04970	30.3
147.02850	3.0
151.07550	57.7
159.02907	14.8
159.07916	1.9
159.09201	2.9
161.05971	2.3
163.07373	2.8
165.09117	16.1
171.02957	1.9
175.07510	5.5
179.07002	3.7
189.03934	3.9
189.09087	4.3
193.08618	35.0
199.07520	5.0
211.09669	3.3
213.09114	2.7
215.13879	1.7
217.08615	4.8
231.04958	15.8
231.10020	3.3
235.09692	15.6
241.08722	2.6
249.06155	2.3
259.09698	18.9
272.10510	1.8
277.10706	27.9
363.10721	4.5
381.11758	6.3
447.84464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.8
56.75380	2.5
57.03433	12.7
57.07074	4.0
65.03910	3.9
67.05179	3.8
67.05511	59.7
69.07062	9.3
69.38049	25.7
79.05493	35.3
81.07060	63.6
83.08604	6.9
91.05485	17.4
93.07053	46.7
95.08614	54.9
97.06543	4.6
97.10181	3.6
98.20785	6.5
98.98474	99.5
105.07030	17.1
107.08598	34.7
109.10163	23.9
117.07038	4.5
119.08596	13.9
121.10158	25.9
123.11692	9.4
131.08592	13.9
133.10139	11.7
135.11713	22.3
145.10143	12.9
147.11687	8.8
149.13275	16.2
155.01033	12.6
159.11685	12.2
161.13278	9.4
163.14859	9.0
173.02144	18.5
173.13264	10.9
175.14813	4.2
187.14856	8.0
201.16461	3.7
243.21149	19.1
253.54652	3.0
261.22171	72.8
279.23328	3.2
317.24667	9.9
329.87485	3.3
335.25824	100.0
356.81210	2.7
415.22220	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	433.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37255	1.6
53.03926	1.9
54.00020	2.0
55.05518	11.1
57.03434	6.6
57.07067	4.1
67.05181	2.9
67.05513	44.8
69.07085	10.4
71.29805	3.0
74.09464	1.7
75.04499	2.3
79.05503	30.8
81.07065	49.8
82.68208	1.9
83.08613	4.6
83.09481	1.8
85.06520	2.8
91.05482	17.5
93.07050	39.0
95.04974	3.6
95.08614	36.4
97.06507	2.1
97.10158	2.3
98.98473	100.0
105.07053	13.8
107.08604	24.9
109.10164	19.7
113.04208	3.1
116.99508	2.6
117.07020	6.4
119.08584	11.8
121.10146	22.0
123.11713	7.9
131.08574	12.0
133.10117	11.0
135.11711	19.0
137.13258	2.8
145.10129	12.0
147.11671	9.1
149.13264	15.0
155.01048	18.8
159.11751	12.1
161.13281	6.4
163.14827	8.4
169.10138	2.0
173.02138	18.9
173.13281	7.1
177.12791	1.9
177.16376	2.7
187.14824	5.0
201.16501	2.2
228.79208	1.9
233.22539	2.2
243.21114	18.7
261.22162	67.7
262.22446	1.8
286.33383	1.9
303.43848	1.9
317.24817	8.1
334.99258	1.8
335.25836	48.6
336.26208	2.0
356.65704	1.9
415.22467	7.9
432.78711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03946	1.9
53.51310	1.2
55.05514	8.2
57.03447	8.3
57.07076	4.0
63.18476	1.5
64.85912	1.2
67.05174	2.5
67.05511	36.9
69.07080	9.0
70.74126	4.2
71.04987	3.1
79.05495	27.6
81.06025	1.5
81.07063	45.2
83.08622	6.2
85.06573	1.7
88.67204	1.4
90.17740	1.5
91.05481	16.6
93.07051	38.7
93.94601	1.4
95.04974	2.1
95.08614	36.2
97.06524	2.9
97.10196	1.7
98.98473	100.0
105.07019	13.1
107.08601	31.0
109.06499	1.7
109.10155	18.6
113.04217	2.1
117.07028	4.1
119.08588	12.3
121.10147	21.5
123.11720	7.9
131.08574	10.5
133.10135	11.6
135.11707	14.3
137.13254	3.7
145.10176	7.9
147.11707	7.8
149.13272	12.1
151.14777	2.2
155.01056	19.4
159.11742	8.4
161.13332	9.6
163.14824	6.4
173.02135	15.3
173.13226	7.6
175.14836	3.4
177.16385	2.6
179.14392	1.6
187.14824	2.7
191.14194	1.7
194.64206	1.4
195.19398	1.4
233.22652	1.9
233.67305	1.5
243.21121	16.5
261.22174	61.9
262.22513	3.1
276.51978	1.7
317.24786	9.7
335.25790	43.8
336.26157	2.3
415.22440	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	433.2296
Annotation	Asp-Leu-Val-Ser
Peak:m/z	Relative Intensity
53.03936	1.4
55.05517	12.6
56.05040	1.7
57.03428	0.9
57.05825	1.5
60.04533	22.2
68.05022	1.1
69.03435	3.2
70.02969	2.1
70.06602	3.4
70.24735	3.2
72.08161	100.0
74.06081	2.9
81.03421	1.9
84.04504	1.8
84.08139	1.6
85.02917	6.1
86.09711	38.8
87.05602	1.8
88.03999	4.1
96.04534	0.9
97.02902	3.9
98.02413	0.8
98.09706	1.1
102.05619	1.2
109.02879	1.0
110.09721	2.2
111.05547	0.9
112.03977	1.0
115.05090	2.0
116.03416	1.0
117.31098	0.8
124.07639	1.7
127.03944	2.3
127.12383	1.2
129.06638	1.1
129.10188	0.7
130.05020	5.4
132.10217	19.1
132.11160	1.3
139.05042	1.4
140.03508	0.8
142.08701	1.3
143.01970	0.8
143.11853	1.0
145.04976	1.3
148.06117	1.2
155.11827	1.8
156.07721	1.8
157.06131	2.9
157.13335	0.8
161.02859	1.2
169.09718	7.7
173.12878	12.1
175.07153	5.9
177.05569	2.6
183.11345	3.0
185.05638	0.8
187.10806	12.3
199.18076	1.4
201.09491	0.8
201.12346	15.7
203.06628	6.5
207.09868	0.7
215.10278	16.3
215.12112	1.2
215.13814	0.8
219.13420	40.9
220.13808	0.7
227.17599	1.6
229.11876	1.3
233.11310	1.7
245.05194	2.4
256.13058	1.6
270.14578	2.9
284.12491	1.7
298.14063	1.3
302.13440	7.9
316.15082	5.8
334.15976	3.4
347.08331	2.0
369.21173	4.2
397.20892	2.7
415.22177	3.9
433.23029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.5
56.05036	3.7
57.03445	0.8
57.05810	0.8
58.06604	0.7
60.04531	3.7
69.03424	0.7
69.07076	6.3
69.57130	1.9
69.57543	2.2
70.02959	1.0
70.06602	6.8
71.04996	0.7
71.06895	0.6
72.08157	83.9
74.06080	7.4
83.06094	1.7
84.04520	3.8
84.08141	4.7
85.02914	3.2
86.09708	100.0
87.05591	2.8
87.10035	1.2
88.03992	3.0
97.02886	0.8
98.21499	0.8
100.07619	4.8
101.07124	2.1
102.05547	7.0
104.05287	0.7
106.06561	8.6
107.06888	5.1
109.89815	0.6
110.06023	1.9
110.07173	2.9
112.03960	1.8
114.09160	2.9
116.07103	1.5
118.06503	0.8
119.04922	0.8
120.06620	0.6
120.08109	1.4
124.03863	0.8
127.03898	0.7
127.08672	1.4
128.10663	1.4
129.10243	3.7
132.52449	0.7
136.07578	1.9
141.10217	1.2
143.11792	1.7
145.08719	0.7
145.09695	4.0
148.06059	12.3
155.08176	3.8
159.09225	0.9
159.11285	14.2
160.11589	0.7
169.09784	1.8
169.13351	1.5
171.14954	0.7
173.09244	5.6
173.12840	2.4
183.11252	1.3
187.10805	8.8
187.14429	5.7
197.12810	1.1
201.12263	3.2
215.13947	3.1
223.14337	1.0
233.11200	1.8
233.14966	1.7
240.16919	1.5
247.12907	14.1
261.11804	1.0
261.14450	15.3
268.16562	16.2
286.17621	1.1
334.16061	1.0
376.06296	0.7
415.21713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67820	0.3
52.14365	0.3
55.05516	7.2
56.05027	1.3
57.05820	0.9
60.04530	3.1
69.03428	0.7
69.07076	0.7
69.82339	1.7
70.02959	2.0
70.06600	3.0
72.08162	100.0
73.08501	0.9
74.06081	0.8
79.05521	0.3
81.03425	0.4
84.04520	1.4
84.08150	2.8
85.02938	0.9
86.09711	15.5
87.05598	1.0
87.10054	0.5
88.03999	6.6
91.05488	0.5
93.07104	0.4
95.04993	0.5
97.04033	0.9
98.02440	1.3
102.05560	0.8
107.04965	0.5
109.06566	0.6
110.07179	0.6
111.05592	1.2
112.03973	0.9
115.05041	2.2
116.03464	0.4
118.06515	0.4
120.08134	1.0
121.06547	1.6
124.07590	0.5
129.10277	1.3
130.05014	4.9
132.10199	1.8
135.17374	0.3
136.07607	0.7
139.05038	1.1
140.03470	0.7
141.06691	0.4
141.10242	0.7
144.04442	0.8
149.00578	1.1
149.05989	1.5
151.07585	0.5
152.07146	0.5
156.07730	1.8
157.04944	0.7
157.06157	1.9
159.11325	2.8
165.05507	0.4
173.12953	1.1
175.07169	4.5
176.07149	1.0
178.08667	0.6
180.17079	0.4
184.07286	0.8
185.05589	4.9
186.04021	0.5
187.10815	1.0
187.12672	0.5
189.08734	0.4
197.12819	0.5
201.12408	1.0
203.06667	5.2
215.13911	0.6
219.13422	0.6
222.07578	3.2
229.07188	0.5
231.17082	7.4
231.19225	0.6
233.14955	0.7
256.12952	4.2
274.14056	1.0
284.12457	15.7
296.05939	0.7
302.13525	1.9
433.14392	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.9
56.05022	4.2
60.04504	1.4
62.40677	1.0
62.91036	1.3
69.03425	2.3
69.07068	1.5
70.06599	15.9
71.55947	1.3
72.08160	67.5
72.99886	0.9
74.06049	1.1
77.49227	1.1
79.05507	1.5
81.03387	1.1
81.07066	2.1
84.04508	29.4
84.07693	0.9
84.08134	6.3
85.02904	3.2
86.09711	18.7
93.07056	0.9
95.08626	1.2
97.02889	1.5
102.05548	21.3
103.05488	1.1
104.05356	1.5
107.08565	1.7
109.02863	1.4
110.07163	3.4
110.09670	2.1
116.07098	4.3
118.06549	9.3
119.04943	1.0
120.08094	6.6
125.02364	3.3
127.03941	1.7
129.10225	3.2
130.06531	4.3
132.08110	5.2
136.07549	5.3
138.09143	13.5
141.10239	1.2
142.06500	1.6
144.08086	9.1
146.06024	44.1
155.11781	3.4
156.10197	9.9
157.04930	1.4
159.09183	23.5
160.07547	1.1
170.06042	3.0
183.11307	31.8
187.05904	1.1
187.08592	1.8
188.07079	100.0
189.07385	2.0
201.12350	43.7
205.09735	59.1
206.10153	1.0
211.10789	7.3
215.05365	1.4
226.80927	1.1
229.07042	1.3
229.11867	9.9
285.05643	1.0
297.13089	1.3
304.16559	1.7
397.18488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01870	1.7
55.05509	3.1
56.05031	3.5
57.03431	3.1
58.06592	1.4
60.04523	5.2
61.02933	1.7
67.05508	8.0
67.82678	1.2
69.03445	8.9
69.07081	2.1
69.46766	7.4
70.06594	11.2
72.08151	5.3
72.64053	1.2
73.02940	1.7
74.05670	1.1
74.06087	21.8
79.05489	8.2
79.80181	1.1
81.03416	4.5
81.07063	67.0
83.04977	5.6
84.04507	3.7
84.08154	6.7
85.02905	18.0
86.09212	2.0
86.09715	36.1
87.05595	2.3
90.00330	1.0
93.07066	3.1
95.01349	3.1
95.04979	2.8
95.08614	46.3
97.02910	5.5
97.06524	2.7
98.20687	2.1
99.04440	1.6
99.08092	3.6
105.07037	3.5
109.02877	1.7
110.07190	2.0
110.69057	1.1
111.04420	1.6
113.06016	18.9
116.07091	2.5
120.08096	4.3
123.08078	59.9
125.06005	5.6
127.03934	2.5
128.10724	3.3
129.10274	3.1
130.06551	1.3
132.10210	5.2
133.06471	3.2
137.06013	1.8
139.03914	79.5
141.09119	71.0
142.33588	1.1
145.04965	2.1
151.07552	3.0
153.05472	5.2
160.06094	1.4
173.12891	24.8
187.14436	4.8
193.08920	1.4
197.04434	2.3
201.12346	9.0
203.49719	1.3
209.85332	1.2
215.05443	6.3
215.13913	3.9
218.05934	1.2
233.14972	24.8
235.13289	8.0
253.14378	100.0
254.14713	2.8
271.15427	8.7
302.17191	3.5
356.73431	1.2
415.19791	5.2
415.25330	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62803	0.6
55.05511	2.1
56.05035	1.6
56.88871	0.5
56.96551	0.6
57.03442	1.0
57.54991	0.5
60.04525	1.3
61.02919	0.6
69.03426	2.3
69.07070	0.9
70.06603	4.4
70.13580	1.2
70.13979	1.1
72.08161	28.8
74.06081	2.3
75.03736	0.5
75.37061	0.5
81.03395	0.6
84.04510	4.0
84.08159	2.1
85.02907	4.1
86.09713	100.0
87.05571	1.1
87.10034	0.9
87.91814	0.5
88.04019	3.1
96.04494	0.9
97.02900	2.2
98.97582	1.6
101.07172	0.6
102.05566	3.9
109.02943	0.8
110.07174	2.2
110.97609	0.9
114.05560	0.7
115.08694	1.0
116.98656	1.0
117.03356	1.0
125.01715	1.3
126.02490	0.9
127.03896	1.1
128.10744	0.7
129.10254	1.6
130.05022	1.0
132.10260	0.9
134.04495	1.5
135.04460	1.1
138.09149	0.8
141.06595	7.5
141.10199	1.4
143.00208	1.0
143.11836	1.1
145.02922	0.9
145.09770	0.8
148.06094	0.9
156.10213	1.0
157.99710	0.7
159.00603	1.0
159.07677	4.3
160.00694	0.8
163.03877	3.3
169.09755	0.6
171.11366	0.9
173.09181	0.7
173.12888	2.2
183.11311	2.2
185.16518	1.5
187.07173	5.0
187.10866	0.7
187.14436	1.2
189.00836	0.7
191.03920	0.8
191.10324	0.8
193.09846	0.6
198.58836	0.6
201.08665	0.9
201.12357	14.7
205.08380	0.6
205.11899	3.7
213.15959	0.8
215.10345	0.7
217.07048	1.6
218.07294	1.9
219.01804	1.8
219.13393	1.1
221.07755	0.7
229.11841	9.0
233.11385	1.8
237.02922	2.7
247.12907	13.6
248.92523	0.6
252.95668	1.1
254.15123	2.1
263.06085	7.4
270.96793	1.0
272.16022	1.3
277.00165	1.2
287.05530	1.3
300.15469	3.3
328.18723	1.2
353.08716	0.9
369.11337	0.7
401.00555	0.7
433.12885	5.2
434.12567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06932	0.7
55.01882	0.6
57.03425	1.2
59.32876	0.7
59.40623	0.6
60.04518	0.7
61.01153	1.0
65.03953	0.8
67.01871	0.7
67.05488	1.0
69.03436	4.8
69.07068	0.8
70.06607	5.5
70.84247	1.6
72.08149	3.0
78.50064	0.6
79.05508	0.8
81.03416	2.0
83.04966	0.6
84.04485	1.3
84.08137	3.0
85.02907	8.3
86.09721	5.9
87.49993	0.6
91.05479	2.4
95.01320	8.2
95.04971	2.2
97.06510	1.7
103.03953	1.1
104.83535	0.6
106.80441	0.7
109.02888	1.8
110.07215	0.8
116.07063	1.1
119.04983	3.6
120.08113	2.9
120.97819	1.0
121.02868	9.7
125.06016	7.7
127.03916	1.6
128.94989	0.7
129.10258	1.6
141.01826	1.8
145.02855	2.9
147.04430	1.4
149.02333	2.1
153.01878	0.8
153.05498	7.8
163.03917	4.2
165.01846	15.3
167.03445	4.2
173.12859	1.8
177.01833	1.4
180.99480	0.9
181.04976	1.4
183.02924	4.3
187.03911	1.9
189.01947	0.7
191.03342	1.2
195.02928	1.9
197.04471	3.8
201.12256	0.7
205.05055	1.1
215.05518	8.8
229.05000	1.7
233.15027	1.4
234.08192	0.7
235.10960	1.1
239.07056	1.5
243.02913	0.7
255.06436	1.0
256.07336	1.1
267.06531	10.1
270.05182	3.8
271.06039	5.2
273.20050	0.7
279.06564	2.0
281.05164	1.1
281.08047	6.8
283.06030	100.0
284.06729	11.3
285.07455	1.6
293.08023	0.9
294.05142	1.0
295.06015	12.3
295.09613	3.5
297.07571	2.8
305.08008	3.9
307.06021	2.3
308.06757	1.8
309.03989	2.4
309.07538	22.6
311.05539	1.8
313.07071	70.1
314.07422	1.7
321.07574	3.0
323.05518	1.5
323.09161	14.7
333.07556	3.9
335.05630	0.9
337.07074	39.2
338.07443	0.9
349.07132	11.3
351.08676	2.7
355.08221	0.8
361.07092	10.2
367.08151	20.0
368.08606	0.9
379.08127	19.0
380.08203	1.0
383.19397	0.7
397.09207	19.8
415.10257	11.1
433.11218	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03981	1.5
55.01868	2.5
55.05516	3.6
56.05030	4.2
57.03433	3.8
59.04993	1.1
60.04525	3.5
67.05495	2.9
68.05030	1.1
69.03432	33.6
69.07069	5.2
70.02966	1.4
70.06247	2.0
70.06597	25.8
71.55083	1.5
71.55481	1.5
72.08159	18.6
73.01147	1.4
74.06077	5.8
79.01911	1.3
79.05496	5.6
81.03440	2.8
81.07052	3.0
83.04980	2.2
84.04523	6.9
84.08147	15.8
85.02907	32.8
86.09712	39.2
87.05589	1.2
87.10040	3.8
88.03991	2.4
91.05473	3.4
93.07043	2.1
95.01334	46.1
95.04985	7.1
97.02893	4.2
97.06538	6.8
98.98501	1.4
99.04442	2.4
102.05522	1.3
103.03934	4.7
103.05470	1.2
104.05334	1.8
107.04945	2.2
109.02901	2.7
109.06539	1.5
110.07159	5.7
111.08146	1.4
112.07594	2.0
113.02345	2.1
113.06006	2.2
114.03749	1.4
116.05285	1.4
116.07100	3.6
119.04932	4.0
119.08599	2.0
120.08116	15.0
120.97812	4.4
121.02871	15.5
121.06540	2.1
121.08440	1.6
123.04449	3.4
125.05999	39.0
127.03929	4.5
128.10741	1.3
128.94992	4.6
129.10239	8.1
130.05063	1.8
130.06654	2.3
132.10220	2.3
135.04407	1.5
136.07668	1.3
136.95520	3.8
137.05914	1.4
141.01762	1.3
141.05515	2.4
143.07063	2.2
143.11780	2.4
145.02867	4.6
151.03899	4.7
153.00073	1.5
153.05472	41.2
154.05780	1.5
154.96587	1.7
163.03928	2.1
165.01871	9.3
167.03438	3.1
169.04988	1.5
173.12889	5.9
177.01782	1.7
179.03375	1.4
180.99567	5.8
181.05031	1.4
183.02907	4.4
183.14928	2.6
187.03922	1.5
187.05983	2.1
187.14481	1.5
195.02875	2.4
195.50446	1.2
197.04465	17.8
201.12415	4.2
203.08463	2.0
205.04996	1.4
211.13199	1.6
213.05545	3.1
215.05505	47.7
215.13869	2.1
219.08131	1.9
219.11357	1.5
233.15033	5.4
235.10782	4.3
235.13167	2.3
243.06477	1.4
253.14156	1.6
255.06483	3.4
256.07263	4.8
261.03952	2.1
263.10464	1.3
267.06519	6.2
270.05209	2.6
271.06012	6.9
281.08072	5.4
283.06027	100.0
284.06818	22.6
285.07431	1.4
287.05573	3.0
293.08270	1.4
295.06036	14.5
295.09320	2.3
297.07486	11.8
302.97977	1.8
305.08218	2.0
307.06107	1.6
308.06525	2.1
309.07584	15.0
311.05569	2.6
311.32355	1.3
313.07065	89.5
323.05545	2.2
323.09143	21.3
325.06900	2.0
333.07507	3.7
335.05585	1.6
337.07068	33.2
343.08124	4.2
349.06940	7.7
350.57346	1.2
351.08530	5.1
361.07071	7.8
367.08154	24.7
379.08188	18.4
397.09152	26.9
415.10220	27.2
433.11340	33.8
433.24823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16481	1.8
55.01855	2.0
56.05009	2.7
56.96560	6.2
60.04523	2.5
61.12449	1.9
69.07065	3.2
69.56551	13.3
70.06593	14.7
72.08161	23.4
74.06050	2.7
82.32562	2.2
83.06107	2.7
84.04530	14.8
84.08150	25.6
85.02905	5.8
86.09211	3.3
86.09710	49.2
87.05583	4.3
88.02179	3.7
88.03974	5.6
90.05556	2.9
97.02880	2.0
98.97596	3.8
101.07155	3.7
102.05516	4.2
103.05451	6.3
107.04884	2.4
110.07175	8.8
120.08113	100.0
129.06604	3.8
129.10272	19.4
130.05014	3.1
130.08669	2.8
131.04919	4.3
133.06142	1.9
134.05971	2.2
136.07585	3.4
137.06012	2.4
141.06593	3.4
147.04652	2.8
147.07605	4.7
149.05997	2.5
151.07524	2.5
157.09686	2.6
159.07648	3.1
166.08655	47.5
171.11334	2.4
172.07126	2.2
173.05551	3.7
177.05508	4.2
183.11119	1.9
185.16527	3.4
186.08748	3.1
187.07140	2.7
190.08128	2.7
198.17241	2.2
200.13933	2.8
201.12367	3.3
213.16100	2.4
244.09402	2.3
249.09842	2.6
281.10251	9.9
309.06183	2.2
310.08780	1.9
432.07138	2.1
432.24896	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.4
56.05042	3.4
56.96568	4.9
60.04541	3.8
68.42972	1.7
69.03436	2.7
69.07069	5.0
70.02968	4.3
70.06606	13.7
71.55106	2.0
72.08160	36.8
72.44368	1.5
73.02907	1.5
74.06081	6.4
75.35985	1.6
82.06563	2.4
83.06110	2.1
84.04508	21.5
84.07639	1.9
84.08153	33.3
85.02912	6.6
86.09715	100.0
87.05593	17.3
88.04013	5.7
96.04543	2.0
97.02924	4.0
97.04003	2.1
98.97611	8.8
102.05556	10.1
103.05460	2.3
106.06576	2.2
110.02425	8.3
110.07164	7.6
113.07154	2.0
115.08772	2.1
116.07095	1.9
116.98638	4.4
119.04950	2.7
120.08118	8.2
124.03965	5.2
127.05087	2.4
128.98657	3.0
129.06627	1.9
129.10262	29.3
130.05014	4.1
130.08624	2.1
131.04526	3.2
133.06116	4.6
136.06198	6.2
137.05997	2.2
140.73909	1.5
141.06628	5.0
143.11800	3.6
146.06047	2.2
147.07681	3.0
147.11296	2.3
148.05966	1.8
150.01894	2.9
151.07544	2.5
156.02966	6.5
156.07675	1.9
157.07661	2.1
157.09737	3.0
157.13388	11.9
158.09279	1.8
158.99628	2.3
159.07663	2.0
168.03014	2.2
171.11348	3.7
171.15001	3.0
173.05640	8.1
175.08768	2.6
177.00699	1.9
185.12906	5.7
185.16548	2.4
186.04356	2.4
186.12543	2.3
187.07155	4.6
189.05032	4.7
190.08226	12.4
197.12892	9.6
201.12369	2.7
203.06680	2.5
204.13577	2.0
213.15904	2.4
214.03664	2.6
215.13901	9.6
216.09741	2.7
220.09369	5.8
225.12386	5.2
229.11887	2.1
231.06221	6.9
237.02829	3.5
243.13374	2.0
246.14458	3.2
248.08879	13.1
248.12430	3.2
260.10248	2.3
286.13443	2.1
289.13095	2.1
339.16492	2.4
340.14850	2.1
432.19275	2.6
432.24615	15.3
433.02402	3.6
433.08200	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	432.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08575	13.3
55.05510	17.7
58.99601	19.0
65.22973	15.1
65.80270	15.0
69.87305	57.0
70.06589	45.4
72.08192	16.3
73.01158	19.7
79.05511	13.8
81.07061	17.0
84.08170	21.4
85.01140	13.1
86.09705	23.1
98.21473	16.2
101.04262	18.3
104.98312	36.1
106.51952	13.1
113.04242	100.0
129.10191	17.2
162.05946	15.0
165.38412	15.3
204.72278	13.5
272.20908	16.0
278.89948	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	431.2505
Annotation	Ala-Leu-Leu-Asp
Peak:m/z	Relative Intensity
52.84442	0.4
53.18667	0.4
55.05519	1.5
56.05026	1.3
66.92670	0.4
69.03431	0.6
69.07071	3.5
69.14126	0.5
70.02951	0.5
70.06245	0.8
70.06596	10.2
72.08160	13.3
74.06081	1.5
76.04039	0.6
84.04509	11.8
84.08143	5.2
84.16117	0.4
85.02911	1.5
86.09708	100.0
87.05606	0.5
87.10058	1.0
87.34003	0.5
88.04013	2.0
89.05972	0.5
93.07056	0.4
96.04525	0.5
101.07154	0.6
102.05550	6.6
110.07172	1.9
113.04320	0.4
113.07153	0.6
114.05503	0.4
116.05325	0.7
116.07121	0.9
120.08103	1.8
124.03997	0.7
129.06645	1.1
129.10237	3.0
130.05040	0.9
130.06583	0.5
130.08661	0.4
132.10201	3.5
136.07590	1.8
141.06604	2.3
141.10257	1.7
143.11798	4.7
144.06508	0.8
145.05034	0.5
148.06075	1.5
152.10747	0.5
156.10201	0.6
157.13350	3.3
159.07756	1.1
162.07652	1.4
166.08676	0.7
170.06049	1.0
170.11783	0.9
171.11288	4.0
183.11389	0.6
185.12881	3.0
185.16565	0.9
187.07173	1.5
187.10942	0.4
189.12344	9.1
197.12869	3.6
198.05589	1.9
199.18059	0.5
201.12343	6.0
203.13881	3.0
213.15845	0.7
215.13911	10.2
216.06633	1.2
219.13577	0.5
225.12402	1.7
227.17491	0.7
229.11830	4.2
229.15500	0.8
234.07700	2.3
243.13420	9.7
243.15750	0.6
247.12886	4.2
252.08592	0.8
261.14447	5.0
284.19843	0.5
300.15665	3.7
318.16699	1.0
338.20593	0.8
344.11841	0.4
353.11548	0.4
356.21997	0.6
413.24136	0.7
431.25116	0.9
431.30716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.5
56.05030	3.3
60.04526	4.8
68.77920	1.6
69.03413	1.5
69.07077	2.8
70.06596	69.0
71.06924	1.6
71.54984	2.3
72.05125	1.7
72.08159	100.0
73.08472	1.9
74.06078	3.7
84.04511	12.3
84.08145	11.4
85.02915	1.8
86.06062	4.4
86.09710	58.4
87.10052	2.8
91.05824	1.9
98.98479	1.7
102.05544	4.2
110.07173	2.6
112.08719	1.4
112.42426	1.6
114.05505	3.7
116.07111	4.2
124.07554	2.1
129.10257	7.8
130.05026	5.9
143.11768	8.5
147.07683	4.8
148.06070	6.4
148.08049	2.5
157.09741	11.9
167.05624	1.4
171.11322	5.2
171.14964	3.2
173.12740	1.7
183.14967	2.6
185.09239	25.1
185.16512	2.1
199.10762	1.6
199.14473	1.5
199.18053	3.5
201.08745	3.3
205.08101	1.8
213.16005	1.6
227.17612	2.1
231.09813	6.2
233.11389	1.9
247.12869	10.4
256.16528	8.9
261.16464	2.8
284.16110	6.4
298.17422	1.9
299.05627	1.8
316.14914	1.8
344.18201	3.8
353.06702	3.1
361.02460	2.3
431.09482	3.4
431.21237	4.5
431.26288	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
56.05047	1.0
57.05811	0.6
58.30105	0.4
67.05507	0.5
67.20065	0.4
67.33276	0.4
69.07071	7.4
69.67793	1.0
69.68208	1.8
70.02925	0.5
70.06593	6.8
72.08159	19.0
74.06084	0.8
84.04513	4.0
84.08147	4.1
85.02909	0.7
85.08485	0.5
86.09708	100.0
87.10056	1.0
88.03995	2.4
89.53006	0.5
96.08177	0.8
98.02467	0.7
102.05521	2.6
104.98316	0.7
110.07188	1.2
114.09161	0.5
116.05335	0.9
116.07123	1.4
120.08113	1.4
129.10242	2.5
130.05025	1.4
130.08679	0.5
131.04536	0.6
141.06581	0.7
141.10193	2.4
142.08676	0.9
143.11800	7.1
148.06026	3.4
152.94572	0.4
156.10202	2.5
157.13315	2.4
159.09233	0.5
162.07701	0.7
164.98723	0.6
166.08597	0.5
170.06012	1.1
171.11322	6.1
173.09268	0.5
178.03665	0.6
185.12883	2.2
185.16496	2.0
189.12360	0.6
197.12958	0.8
199.18211	0.5
201.08807	0.5
201.12331	10.3
203.13924	6.6
213.16017	1.9
215.13953	0.7
219.13469	1.5
227.54361	0.4
229.11842	8.2
239.17621	1.2
243.13499	1.3
247.12924	2.6
261.14465	8.6
284.19815	1.8
285.01587	0.5
296.68109	0.5
300.15601	0.9
333.13055	1.4
342.20322	1.0
388.89655	0.4
431.25433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2501
Annotation	Ala-Leu-Leu-Asp
Peak:m/z	Relative Intensity
55.05504	1.4
56.05047	1.0
57.05811	0.6
58.30105	0.4
67.05507	0.5
67.20065	0.4
67.33276	0.4
69.07071	7.4
69.67793	1.0
69.68208	1.8
70.02925	0.5
70.06593	6.8
72.08159	19.0
74.06084	0.8
84.04513	4.0
84.08147	4.1
85.02909	0.7
85.08485	0.5
86.09708	100.0
87.10056	1.0
88.03995	2.4
89.53006	0.5
96.08177	0.8
98.02467	0.7
102.05521	2.6
104.98316	0.7
110.07188	1.2
114.09161	0.5
116.05335	0.9
116.07123	1.4
120.08113	1.4
129.10242	2.5
130.05025	1.4
130.08679	0.5
131.04536	0.6
141.06581	0.7
141.10193	2.4
142.08676	0.9
143.11800	7.1
148.06026	3.4
152.94572	0.4
156.10202	2.5
157.13315	2.4
159.09233	0.5
162.07701	0.7
164.98723	0.6
166.08597	0.5
170.06012	1.1
171.11322	6.1
173.09268	0.5
178.03665	0.6
185.12883	2.2
185.16496	2.0
189.12360	0.6
197.12958	0.8
199.18211	0.5
201.08807	0.5
201.12331	10.3
203.13924	6.6
213.16017	1.9
215.13953	0.7
219.13469	1.5
227.54361	0.4
229.11842	8.2
239.17621	1.2
243.13499	1.3
247.12924	2.6
261.14465	8.6
284.19815	1.8
285.01587	0.5
296.68109	0.5
300.15601	0.9
333.13055	1.4
342.20322	1.0
388.89655	0.4
431.25433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47959	1.5
55.01861	2.0
55.05500	2.3
56.05039	2.3
57.07066	2.0
58.99589	23.8
61.01146	5.6
61.02906	1.6
62.99057	1.7
65.03936	4.3
67.05512	14.0
69.03436	2.2
69.06729	2.6
69.07075	40.4
70.06594	9.1
72.08155	2.9
72.96817	1.8
73.01157	11.9
79.05509	10.5
81.03413	2.2
81.07039	3.5
83.05009	2.2
84.08147	7.6
85.01140	2.3
85.02874	2.6
86.09712	8.2
86.99032	2.4
87.02686	6.2
89.00615	5.8
91.02154	1.8
91.05447	2.5
93.07046	2.3
95.04974	5.3
95.08601	2.8
96.05773	9.7
97.01109	2.8
97.06538	41.3
98.09093	2.2
99.02685	26.4
101.04254	33.5
103.97559	2.9
104.98337	13.5
105.07034	3.6
107.08585	4.6
111.02682	22.6
112.03462	35.0
113.04240	100.0
114.05043	1.7
114.32722	1.8
115.02178	8.9
116.98289	3.0
118.99863	5.0
119.08576	3.0
120.08067	2.1
120.97791	5.8
121.10143	2.5
122.99379	1.9
127.02153	3.5
129.03708	41.3
129.06963	1.9
129.10254	3.9
130.04501	9.9
131.05267	9.9
133.01431	15.4
133.10112	2.4
136.95462	2.4
142.99855	88.8
144.00607	2.5
145.01405	4.8
145.10127	2.5
147.03029	2.0
147.11717	3.8
157.10234	2.1
159.11665	2.3
161.00919	15.3
161.13260	3.6
162.82521	2.0
163.02513	19.6
174.97037	4.0
188.97273	1.6
219.07999	2.1
251.02313	49.5
253.19382	2.0
271.20587	4.2
273.22348	2.3
318.90421	2.2
341.03595	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	431.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.7
57.07088	2.8
58.99595	37.8
61.01147	8.3
65.03937	3.7
66.99445	1.9
67.05511	20.3
68.06313	2.2
69.07071	77.0
69.59769	7.3
69.60183	6.4
70.06599	15.1
72.08152	3.9
73.01140	21.1
74.40200	2.2
75.02706	3.0
79.05506	13.6
81.03373	2.2
84.04503	2.7
84.08141	10.6
84.23477	2.3
84.86968	1.9
85.02868	2.0
85.06546	4.9
86.09692	10.3
86.99060	2.3
87.02686	5.1
89.00627	5.7
95.04967	6.5
95.08598	2.4
96.05745	12.5
97.01116	2.9
97.06533	83.3
99.02691	27.4
101.04247	55.9
103.97556	5.0
104.98324	19.8
105.04504	2.1
105.07023	2.9
109.10141	3.2
111.02664	18.4
112.03464	21.5
113.04233	100.0
114.05038	3.7
115.02155	12.8
116.98312	6.9
118.99806	2.6
120.08103	3.7
120.97797	6.8
127.02161	5.3
128.02931	3.6
129.03709	62.3
129.10266	3.4
130.04474	19.2
130.99747	2.5
131.05260	15.1
133.01424	22.4
136.95447	4.5
142.99850	50.3
144.00710	2.5
145.01425	11.8
161.00925	11.5
161.13223	2.6
163.02463	12.1
178.70903	2.1
181.64240	2.0
251.02327	19.3
268.65768	2.5
336.80252	2.2
338.40625	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	431.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01224	0.8
55.05499	2.5
57.03438	1.8
57.66186	0.9
58.99285	1.2
58.99588	21.6
61.01154	19.2
65.03937	4.1
67.05511	7.5
69.07069	21.8
70.06585	1.9
70.69836	2.1
70.70191	1.1
70.99565	1.8
72.26234	0.9
73.01141	18.4
79.05499	9.7
80.06277	1.2
80.91640	0.8
81.03416	1.2
81.07041	3.9
83.04982	0.9
83.08614	1.9
84.08168	1.9
85.01121	2.3
86.09703	2.5
86.99030	0.8
87.02704	4.4
88.80372	1.0
89.00594	1.8
91.05453	0.9
92.29298	0.9
93.07045	1.9
95.04969	3.9
95.08617	1.4
96.05759	3.9
97.01137	1.9
97.06535	28.6
98.01917	1.2
99.02686	18.4
101.04245	26.4
102.96751	2.2
103.97527	2.1
104.98322	45.6
105.07042	1.4
107.01653	7.2
107.08591	2.8
110.64590	0.9
111.02676	12.5
112.03444	8.4
113.04233	100.0
113.85158	0.9
114.05015	3.0
115.02146	4.1
115.05798	4.0
116.98295	3.6
118.99848	1.4
119.08593	2.1
121.10114	2.6
125.04198	1.2
127.02152	3.1
129.03708	51.8
129.71313	0.9
130.04504	7.3
130.99841	2.6
131.05269	6.2
133.01404	6.6
136.95482	3.4
139.11189	3.3
141.07346	1.3
142.99854	13.0
144.00652	2.7
145.01402	4.3
146.02122	1.1
147.02972	12.1
149.02362	12.5
150.02672	9.1
151.02901	4.9
152.06448	1.2
153.07321	1.0
161.00929	12.9
163.02461	1.9
165.09224	1.3
165.82394	0.9
176.98654	1.0
177.99379	2.7
193.04987	10.3
194.05339	7.8
195.05525	7.6
203.05583	4.2
207.03288	1.0
235.02820	15.9
237.07536	1.2
238.07913	2.7
238.27959	1.0
239.08054	4.3
271.20618	0.9
290.27069	0.9
341.03665	3.8
343.07031	1.6
343.49426	0.9
361.08191	1.4
387.09659	5.9
430.30453	4.1
431.12433	25.5
431.30719	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	431.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10578	1.4
58.99581	9.3
61.01146	5.1
67.05493	3.9
69.07063	9.6
70.99578	2.2
71.55771	2.3
73.01150	16.9
73.80822	1.4
78.29906	1.4
79.05502	7.3
81.07038	3.6
86.09653	1.3
91.02249	1.3
93.03750	1.5
95.04951	2.9
97.06525	5.1
99.02680	6.8
100.67400	1.3
101.04253	7.8
102.96750	2.4
103.97543	3.6
104.98322	11.9
105.07040	1.7
111.02666	9.9
112.03452	9.4
113.04237	100.0
114.04972	5.0
115.02152	2.0
115.05779	2.3
116.98315	4.3
119.08553	1.7
129.03694	15.9
130.04492	4.4
131.05261	5.4
135.94740	1.9
136.95486	7.4
139.05760	7.6
142.99863	3.4
144.00595	5.5
145.01402	10.6
147.03030	1.6
150.04875	1.7
161.00937	2.9
163.02490	2.1
165.04076	3.0
176.98532	2.5
183.02956	5.2
213.12827	1.3
235.02734	1.9
261.19662	1.5
265.11182	1.3
267.00110	7.6
300.76157	1.5
341.01993	3.9
360.02728	1.5
457.99667	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	431.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
57.48168	0.8
58.99591	11.9
61.01153	9.5
65.03947	1.3
67.05508	6.3
67.32574	0.8
68.06296	0.9
69.07069	10.8
70.06591	1.8
70.16056	4.0
70.99593	1.1
72.08172	1.3
73.01147	9.8
73.90933	1.2
74.01910	1.0
79.05493	7.1
81.07056	3.7
84.08155	1.7
85.01109	1.8
86.09731	1.8
87.02673	2.3
89.00660	1.2
91.05476	1.3
93.07082	1.2
95.04986	2.5
96.05772	2.7
97.01152	3.3
97.06543	12.7
99.02666	8.3
101.03648	1.1
101.04255	12.4
103.97535	1.2
104.98324	22.6
105.07038	1.1
107.01646	2.2
107.08586	1.5
109.10165	1.3
111.02676	16.8
112.03455	18.2
113.04236	100.0
114.05036	2.4
115.02171	3.0
115.05811	1.4
116.98289	1.2
117.07002	1.3
118.99866	1.4
119.08627	0.9
121.10142	2.0
123.08064	1.3
127.02170	2.8
129.02777	0.7
129.03705	22.0
130.04517	4.5
130.99884	1.4
131.05260	2.9
131.08505	1.0
133.01447	2.7
136.95503	2.2
141.07317	1.0
142.99861	22.1
144.00700	5.7
145.01411	3.7
147.02963	2.7
152.06531	1.4
161.00905	12.2
176.98651	1.4
203.05519	1.5
235.02811	53.1
236.03093	1.0
317.44437	1.1
341.03693	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	430.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.35296	0.3
57.07080	2.4
58.07436	0.4
67.05511	2.3
71.08624	1.4
71.33102	0.8
79.05482	0.6
81.07064	1.5
85.10167	1.0
91.05486	1.3
93.07028	1.2
95.08610	0.9
107.08571	0.8
109.10155	3.6
113.86377	0.4
119.08594	2.3
121.06512	8.6
122.07288	1.8
123.08037	0.4
135.08060	1.8
136.08853	13.0
137.09631	12.4
138.10054	0.6
149.09669	2.7
150.09946	0.8
151.07538	0.5
152.08371	1.0
159.11691	0.4
163.11235	2.6
164.08347	33.1
164.11491	1.0
165.09126	100.0
166.09441	6.7
173.09621	0.5
177.09105	1.9
177.12703	0.5
178.09561	0.9
187.11238	0.8
190.09926	1.3
191.10680	1.7
201.12746	0.4
205.12288	6.4
206.12592	1.1
211.41504	0.3
219.13817	0.8
220.14186	0.4
289.95773	0.4
304.23618	0.5
342.36337	0.5
402.34467	0.6
412.36594	0.6
430.38049	80.8
431.38330	2.7
437.76791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.6
55.05511	2.1
55.46693	0.9
56.05042	9.6
56.28841	0.8
58.06596	9.8
58.99594	10.4
60.04543	1.5
61.01155	1.1
67.05512	4.2
68.05021	2.4
69.07072	3.7
70.02950	6.6
70.06599	27.3
71.54299	1.2
72.08157	11.4
73.01147	17.4
74.00668	21.1
74.02448	5.5
74.06083	4.3
75.02711	3.2
76.02237	19.3
76.04014	17.7
80.05007	1.3
82.06595	3.4
82.31531	0.9
83.06116	2.6
84.04510	100.0
84.08150	30.7
85.01128	1.2
85.02902	1.6
85.04031	10.2
85.04867	0.9
86.00658	4.5
86.09715	40.1
86.99053	1.7
87.02704	1.9
87.05600	2.3
87.10033	2.2
88.02242	1.8
88.95209	2.0
89.04266	1.0
90.96775	4.2
91.05463	1.0
96.04516	1.0
96.08138	7.8
97.01098	2.5
98.01877	4.8
98.06059	2.7
99.02687	38.6
99.05605	2.1
100.02213	1.0
101.04256	3.5
101.07142	5.9
102.00142	17.1
102.05547	3.6
102.96770	5.4
103.97595	1.5
104.98324	1.7
105.97841	23.4
106.53191	1.0
110.06073	1.8
110.07159	2.6
112.02236	1.3
112.03978	13.0
113.03495	4.0
114.00146	1.7
114.03767	9.9
115.04533	2.0
116.01685	13.7
116.05325	64.0
116.07068	14.4
116.94678	2.9
116.98318	3.0
117.05771	1.4
118.99881	2.7
120.08113	16.5
122.93975	3.4
124.03990	1.4
124.07613	6.3
125.00598	2.2
127.02113	2.2
128.98370	1.3
129.06639	5.5
129.10237	8.7
130.05016	27.5
130.06479	1.5
130.99857	12.9
131.04549	23.8
132.00591	8.7
136.07588	2.9
136.95459	5.5
139.03256	2.7
139.96533	1.1
141.04900	1.2
141.06528	2.1
142.03241	7.2
142.08676	4.1
143.04555	2.1
143.11821	3.6
144.01181	3.2
144.04773	2.0
144.06580	1.7
145.03230	1.0
145.06096	3.6
145.97282	1.2
146.00948	2.2
147.07652	2.5
152.07115	1.1
153.06563	2.0
155.08095	1.8
157.13454	1.6
158.09663	2.8
160.00639	13.1
161.09280	2.3
162.02197	6.0
162.97092	2.3
164.98630	43.3
165.05400	1.1
167.02852	1.7
170.02713	1.5
170.08136	32.2
171.11346	3.1
173.09213	1.9
174.00475	4.1
176.10722	2.8
177.03304	30.1
179.04878	6.0
179.99713	29.1
182.06427	2.1
185.03856	3.7
187.05392	2.1
188.03844	2.2
190.96562	7.3
191.97888	1.4
202.05359	25.9
202.07251	1.3
209.00516	17.0
213.03340	4.0
217.06433	23.5
217.11804	2.3
219.07997	35.0
221.04172	1.4
221.12856	15.0
228.13618	1.7
229.15517	1.8
231.04366	7.8
232.00957	1.9
242.15021	1.9
242.99318	1.2
245.05930	2.4
245.09526	2.0
246.14609	2.0
249.03656	9.5
249.12338	4.5
263.01596	5.4
265.99817	16.3
273.09058	6.8
275.01596	1.1
283.02426	18.4
288.06421	1.9
291.06702	1.4
299.17273	2.1
306.07639	2.7
330.11035	1.3
337.03485	10.2
337.48184	1.2
338.04449	1.5
339.05704	1.9
348.12183	11.7
412.06631	3.9
430.30585	2.1
433.46082	1.0
442.03802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.6
55.05513	3.2
56.05043	7.7
58.06594	7.6
58.99591	11.1
60.04546	1.6
61.01124	1.6
66.04772	1.3
67.05505	3.0
68.05029	2.4
69.03425	2.7
69.07059	5.4
69.21553	9.1
69.21970	4.8
70.02943	4.8
70.06243	2.3
70.06597	24.0
72.08165	17.1
73.00838	1.3
73.01147	14.2
74.00335	1.6
74.00674	15.1
74.02436	3.8
74.06062	1.2
75.02705	2.0
76.01891	1.6
76.02239	18.9
76.04012	15.5
77.90159	1.4
80.05017	1.5
81.03427	1.6
82.06561	3.3
83.06104	3.3
84.04514	85.6
84.08154	100.0
85.02911	2.9
85.04041	9.7
86.00650	2.7
86.09718	60.9
86.99061	2.0
88.02229	1.6
88.03986	2.3
90.96762	3.4
96.08146	7.4
97.01089	2.0
97.02884	1.9
98.01888	3.5
98.06078	2.9
98.20778	3.4
99.02700	34.2
99.05537	2.1
101.04223	4.0
101.10793	3.0
102.00130	15.4
102.05537	4.8
102.96749	4.3
104.98300	3.0
105.97843	19.6
106.02914	1.4
106.06558	5.3
106.08372	1.5
110.07150	2.1
112.03980	12.0
113.03487	2.7
114.03750	4.0
115.04528	2.2
115.08743	1.4
116.01688	11.4
116.05334	58.2
116.07095	12.7
116.94667	2.4
116.98309	2.2
120.08114	1.8
122.93987	1.9
124.03876	2.3
124.07578	7.0
127.02122	2.1
129.06583	4.6
129.09341	2.7
129.10257	33.2
130.05023	23.8
130.99863	11.9
131.04547	20.8
132.00607	8.1
132.10223	2.3
135.85007	1.4
136.95485	3.9
139.03242	2.8
141.10201	3.3
142.03275	7.3
142.08626	2.8
143.04579	2.1
143.11789	7.0
144.01144	4.4
145.06090	3.4
146.00926	1.5
147.07666	6.3
153.06575	1.9
155.08194	3.1
157.13420	1.8
160.00632	12.5
160.04366	2.1
162.02167	4.3
162.97063	2.0
164.98647	42.1
167.02768	1.7
168.11420	2.1
169.09749	3.2
170.08148	25.9
171.11221	3.9
171.14981	1.8
173.09232	3.3
174.00414	3.0
177.03323	25.2
179.04857	5.2
179.99731	25.5
185.03804	4.1
186.12425	4.9
190.96536	7.8
201.12325	1.6
202.05356	21.8
209.00536	13.9
213.03233	2.9
217.06425	19.4
219.07991	34.0
229.00409	1.7
231.04344	7.1
245.09624	2.6
249.03685	7.8
260.16095	2.9
263.01642	5.4
265.99747	13.6
273.08994	5.8
281.19931	2.3
283.02402	15.7
299.20889	4.7
306.07620	3.2
317.21884	2.5
337.03531	10.9
339.05188	2.1
348.12244	10.3
368.62070	1.5
385.00433	1.7
412.06879	2.7
430.30396	40.8
433.71262	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53516	1.9
55.05502	1.9
55.58551	1.6
58.06628	1.6
58.99584	2.9
62.60947	2.0
67.05504	3.6
69.07072	2.7
70.06589	10.1
71.56088	2.1
72.08160	3.2
73.01138	2.8
73.10815	1.7
74.00661	2.9
76.02229	2.2
76.04028	2.1
77.71814	1.7
79.05502	1.6
81.07071	2.0
84.04521	13.8
84.08155	9.2
86.09704	7.9
91.05466	2.7
95.08611	2.1
96.64854	1.6
97.06541	2.1
99.02692	4.1
101.04244	2.4
105.07027	2.1
105.97875	1.9
109.10173	2.0
112.04029	2.2
113.04227	4.5
116.05322	9.0
116.07096	4.2
118.06570	2.3
119.08585	2.4
120.08106	3.0
120.35112	1.8
125.17793	1.7
129.10258	3.7
130.04991	3.1
131.04514	2.2
145.08913	6.8
154.93475	1.7
159.11618	1.9
160.11258	11.2
164.07098	11.1
164.98651	3.5
165.07831	5.5
170.08118	4.2
177.03281	3.4
178.08646	1.9
179.99692	4.1
182.34067	1.6
196.04286	4.2
197.05124	2.7
206.11777	100.0
217.06584	2.1
219.08008	4.4
228.01434	8.2
249.03738	2.1
283.02277	2.3
285.00989	2.1
302.03448	5.7
334.69696	2.1
379.12833	2.3
433.51151	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05519	1.8
57.02171	0.6
57.03439	4.5
57.07066	1.0
63.83414	0.6
67.05512	9.1
69.07079	2.3
70.64920	1.0
70.65295	1.1
77.81809	0.4
79.05499	7.9
79.27215	0.5
81.07063	9.8
83.04969	0.6
83.08619	1.3
84.06382	0.5
90.69409	0.6
91.05450	4.1
93.07056	10.3
95.04957	1.0
95.08611	7.4
97.06561	0.6
97.10177	0.7
98.98481	0.7
99.08073	0.7
105.07015	3.5
107.08601	6.5
109.10159	3.4
111.08100	0.5
113.00024	100.0
117.07023	1.4
119.08572	3.1
121.10156	5.7
123.11710	1.6
131.08600	4.3
133.10127	2.4
135.11699	4.8
137.13330	0.7
145.10132	3.7
147.11685	2.3
149.02386	0.6
149.13269	4.5
151.01677	0.6
154.02728	0.6
155.01013	0.9
159.11690	2.9
161.13301	1.6
163.14795	2.6
169.02623	80.5
173.13274	2.8
177.16408	0.8
187.14868	1.8
232.06091	0.6
233.22606	1.2
243.21118	6.7
261.19391	1.1
261.22147	19.3
273.32047	0.5
282.97787	0.5
329.95648	0.6
410.11084	0.5
429.11810	0.9
429.23853	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
54.00488	0.6
55.05517	3.2
57.06831	1.2
57.07083	16.6
65.26150	0.6
65.61604	0.6
67.05509	5.2
69.07079	4.6
69.83201	0.6
71.08641	11.4
71.16249	1.3
79.05501	1.4
81.07051	6.4
83.08588	3.2
85.10187	5.9
91.05495	2.5
93.07043	2.8
95.08624	6.8
97.10170	2.7
99.11739	0.6
105.07034	2.5
107.08613	5.9
109.10160	5.3
111.04474	1.0
111.11768	1.8
119.08600	4.4
121.06508	1.3
121.10156	3.1
122.07265	1.4
123.08062	0.9
123.11733	1.1
129.07042	0.7
131.08565	2.7
133.10132	1.6
135.08049	5.0
135.11671	1.6
136.08836	0.8
137.06007	1.0
137.09630	12.3
139.07536	2.4
143.08582	0.6
145.10132	2.3
147.11662	1.1
149.09624	14.3
151.07550	1.1
159.08029	1.1
159.11723	2.5
160.08795	1.0
162.06749	0.9
163.11205	22.0
165.09129	100.0
166.09473	1.3
173.09679	2.6
173.13252	2.1
174.10382	0.7
175.07625	1.2
175.11197	5.8
176.08353	1.2
177.09119	11.5
177.12787	1.7
179.10689	1.4
187.11224	2.3
187.14908	0.9
189.12794	1.3
190.09819	1.2
191.10690	11.4
200.12141	0.7
201.12798	3.3
203.10683	2.8
203.14195	1.0
204.11443	1.2
205.12277	10.7
219.13821	5.1
233.15379	3.5
247.17043	1.3
261.18796	1.2
275.19992	1.2
289.21555	2.5
303.23233	1.8
317.24945	1.2
331.26416	1.1
345.27951	1.1
359.29373	1.2
360.08795	0.6
373.31311	1.1
401.34271	3.2
411.36362	3.0
429.31995	2.9
429.37277	37.3
430.37900	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	429.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.05508	1.8
56.05048	1.4
57.03439	8.1
61.01162	1.9
67.05495	6.3
69.03076	2.8
69.03434	45.8
69.07067	5.0
70.06608	7.5
70.73478	2.6
70.73822	2.0
72.08147	1.5
73.01152	2.3
73.06525	1.4
79.05506	7.9
81.03388	2.0
81.07066	2.8
83.01337	1.8
84.04500	1.5
84.08141	3.2
85.02910	54.3
85.06549	5.7
86.09715	17.5
87.00850	1.9
87.04467	8.3
89.00639	2.6
89.06030	11.5
90.06354	1.6
91.05841	1.8
95.01335	88.4
95.04967	12.6
95.08636	1.5
97.02908	3.3
97.06534	13.1
99.04449	1.8
103.03942	3.3
104.98320	3.5
105.01879	1.2
105.07039	2.4
107.04936	3.6
107.08585	1.5
109.02882	2.4
113.02382	6.7
113.04213	1.9
113.06009	4.9
119.08597	1.9
120.08076	1.9
121.10145	1.6
121.51320	1.2
122.99349	2.7
123.04462	6.6
125.00935	2.9
125.02378	1.7
125.06000	71.0
127.03939	6.8
129.09171	4.0
130.09454	1.3
133.08617	8.5
133.10117	1.7
134.08975	2.0
134.34987	1.3
141.05464	4.2
143.07062	9.0
151.03893	6.1
153.00011	1.6
153.05476	83.2
157.13286	2.3
169.04973	4.3
177.11237	2.9
180.99533	8.3
185.12860	2.9
187.06062	6.8
197.04492	22.8
215.05515	100.0
229.01454	1.4
245.18736	1.7
271.20792	1.5
421.03482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01865	1.7
55.05500	2.4
57.03427	5.7
61.01138	1.5
66.51078	1.2
67.05487	4.7
69.03436	55.9
69.07053	5.0
70.06251	1.9
70.06598	24.3
71.04990	1.3
71.06893	1.3
71.47832	1.6
72.08166	10.0
73.01148	3.2
76.81366	1.5
79.05494	9.4
81.03400	2.4
83.04978	1.3
83.62685	1.4
84.04491	3.5
84.08166	8.5
85.02912	57.6
86.09712	22.4
87.04460	1.3
89.00623	2.1
95.01338	92.6
95.04962	11.6
97.02873	3.8
97.06550	13.6
103.03922	3.7
104.98330	2.2
107.04908	2.8
109.02875	1.8
110.07198	1.5
113.02360	5.7
113.06026	3.4
115.03939	1.3
116.07119	9.9
117.07473	1.5
120.08102	4.6
122.99342	1.8
123.04427	5.3
125.00907	3.3
125.05999	69.0
127.03966	7.9
129.10262	4.7
134.64197	1.4
141.05460	6.0
143.07005	6.9
151.03888	6.2
153.00044	1.7
153.05476	84.0
169.04974	4.1
173.12909	2.5
180.99586	8.6
181.00945	1.4
187.06001	5.9
197.04469	27.0
215.05521	100.0
229.01584	1.4
229.15508	1.5
232.79257	1.4
253.16403	1.4
267.12180	9.7
267.14697	2.0
429.16180	2.7
429.21872	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	429.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
55.05502	3.0
56.05031	4.5
57.03429	5.8
67.05499	5.1
69.03436	59.2
69.07078	6.7
70.06596	41.2
70.85215	3.6
72.08162	19.5
73.04759	2.7
79.05495	7.8
81.07066	2.3
81.52934	1.7
82.06589	1.8
83.01364	3.2
83.04967	2.7
84.04494	6.5
84.08150	10.0
85.02913	55.0
86.09217	3.1
86.09712	47.1
87.10046	2.0
88.04012	2.6
91.05821	3.1
93.20356	1.8
95.01340	96.0
95.04976	10.7
97.02869	2.7
97.06538	9.3
99.04478	2.0
102.05552	4.9
103.03925	2.9
104.98314	2.5
107.04943	3.0
110.07159	3.2
111.04416	2.4
113.02351	4.6
113.05985	1.9
113.94537	2.1
115.03940	3.1
116.07086	4.5
120.08102	3.8
122.99390	2.7
123.04432	4.5
125.00938	2.2
125.06001	78.2
127.03926	3.7
129.10249	7.7
130.08607	5.0
136.07532	2.9
141.05470	5.3
143.07019	4.1
147.07666	4.7
151.03922	9.4
153.00064	2.4
153.05479	98.4
169.05037	3.1
173.12904	4.1
180.99586	13.8
182.84818	2.0
183.11295	2.1
187.06104	3.9
197.04466	29.5
197.12874	2.3
201.05452	3.8
201.12335	4.1
215.05522	100.0
229.15530	4.6
231.17067	2.0
251.68153	1.9
266.13904	2.3
271.01135	2.2
285.06165	1.9
316.18646	2.5
355.59320	1.9
429.21182	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19606	2.3
58.99588	4.9
60.21133	2.2
60.30749	2.0
65.47149	2.2
67.05487	4.4
69.07063	10.0
73.01154	5.0
79.05499	13.7
81.07062	3.0
84.08121	2.6
88.50243	2.3
91.05821	3.4
95.05002	2.7
97.06536	6.9
99.02695	3.5
101.04227	4.4
104.98292	2.3
111.02657	3.3
112.03474	4.1
113.04234	100.0
119.08585	5.1
129.03722	7.2
130.04485	6.2
130.15315	2.6
131.05261	19.5
133.06450	2.2
133.10150	2.9
149.02339	12.7
149.03447	4.3
149.04776	2.2
163.02524	2.3
164.93092	2.2
167.05640	2.4
176.98676	5.2
179.51404	2.2
193.05103	11.6
385.09061	2.9
395.39444	2.9
429.11786	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	429.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62407	1.1
56.97104	1.2
58.99578	4.5
61.01156	2.0
67.05508	3.6
69.07076	12.8
70.06576	2.7
71.44564	1.6
71.44892	1.1
72.08144	1.5
73.01141	3.9
77.92236	1.1
78.80069	1.0
79.05498	11.4
81.07056	1.8
83.05003	1.3
85.01131	1.7
85.06553	1.3
87.02748	1.5
95.04962	2.2
97.06542	6.2
99.02677	2.6
101.00621	2.5
101.04266	5.5
104.98348	3.0
106.50698	1.3
110.04376	1.0
111.02698	3.0
112.03476	3.1
113.04240	100.0
114.04462	1.4
115.02164	2.3
116.98258	1.2
121.06529	1.1
125.75443	1.1
129.03696	5.6
130.04520	5.5
131.05286	23.0
133.01427	1.5
136.95473	2.3
145.01399	1.8
149.02364	6.0
176.98688	6.7
193.04964	5.4
226.96902	1.3
237.07603	2.2
263.60645	1.2
316.98474	2.4
343.19208	1.3
359.03146	2.3
385.09235	1.4
429.11835	6.2
439.58542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65596	1.1
55.01881	8.0
55.05522	2.1
56.01724	1.4
56.05043	5.5
58.06610	17.4
58.99598	8.2
59.37761	1.2
61.01139	1.4
62.83652	1.3
65.03939	2.6
67.05514	3.4
70.06599	23.6
72.08150	4.6
72.26144	1.5
73.01154	11.0
74.00680	7.9
74.02449	4.3
75.03162	1.1
76.02232	9.8
76.04001	3.0
80.05005	1.6
82.06579	6.2
83.06129	2.0
84.04514	70.3
84.08144	7.0
85.02907	4.0
85.04042	4.8
86.09715	5.2
88.02199	2.1
89.04282	1.5
96.08154	6.0
98.06075	6.6
98.23558	1.3
99.02690	45.9
100.02219	2.6
101.04248	5.3
105.97847	1.6
112.03979	23.5
114.03739	4.1
116.01695	13.0
116.05335	93.1
116.07100	26.3
118.06838	1.9
118.99930	2.1
124.07618	5.2
126.05518	4.6
126.09174	1.4
128.03021	1.4
129.06662	2.5
129.10255	3.7
130.05022	20.1
131.04550	7.8
136.06212	3.7
136.07578	1.6
139.08698	1.6
142.03273	3.6
142.08641	4.6
144.01164	3.3
144.04774	2.4
145.06049	1.9
146.00961	3.8
148.02480	6.8
150.07819	1.6
153.06723	1.6
155.08168	11.2
156.06577	2.0
160.00661	5.3
162.02219	6.4
164.56947	1.2
169.06238	1.7
170.08156	34.2
171.07697	5.9
172.04445	1.6
173.09268	5.3
174.00389	1.7
177.03322	11.1
179.04834	10.4
182.06395	2.6
183.07712	1.6
196.04620	7.6
199.07208	2.7
200.07993	2.8
201.08788	4.0
202.05360	43.1
209.00497	3.1
216.05629	2.4
217.06615	2.7
219.08018	100.0
220.08278	1.4
221.04271	6.7
229.06377	1.8
245.09489	1.8
249.03642	28.5
251.05222	2.3
267.04749	2.1
273.09058	7.5
275.11066	3.6
299.07272	9.5
330.11047	2.3
348.12302	18.0
353.08359	2.4
428.20926	2.2
436.09753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79889	0.8
55.01870	6.3
55.05498	1.4
56.05023	3.6
58.06603	13.0
58.99591	6.4
61.01146	1.3
65.03931	2.6
67.04234	1.1
67.05503	3.3
68.05009	1.0
69.03416	1.4
70.06252	1.3
70.06601	15.4
71.04979	1.4
71.39663	1.3
72.08141	3.5
73.01149	10.8
74.00657	4.5
74.02441	2.7
76.02227	8.6
76.03996	3.1
78.49823	0.8
80.05010	1.7
82.06577	2.7
83.04974	0.9
83.06107	1.7
83.07372	1.2
84.04509	51.8
84.08152	4.1
85.02921	4.7
86.09697	4.6
86.99062	0.9
96.04557	0.9
96.08150	6.7
98.06054	4.3
99.02682	39.5
100.07601	1.2
101.04227	2.9
105.97814	1.3
109.07638	2.5
110.07170	1.0
112.03977	17.9
113.23256	0.8
116.01703	8.7
116.05322	77.5
116.07082	21.8
124.07604	5.9
126.05543	4.0
127.02158	2.4
129.06586	3.3
129.10239	1.0
130.05000	12.3
131.04488	1.5
136.06149	2.0
136.07574	1.5
137.45772	1.0
141.06517	1.1
142.03200	2.9
142.08646	4.5
144.01114	2.6
144.04834	1.6
145.03178	1.3
145.06044	1.3
146.00899	0.9
146.06940	1.0
148.02490	1.9
153.06580	1.4
153.19885	0.9
155.08154	7.6
160.00616	2.5
162.02211	3.4
170.08138	25.0
172.04494	1.0
173.09209	4.6
175.73546	0.9
177.03275	3.3
179.04869	7.4
182.06445	1.9
183.05922	1.5
196.04613	5.2
199.07182	2.3
200.07870	5.1
201.09138	3.7
202.05336	34.9
209.00606	1.1
219.07997	100.0
220.08270	1.3
245.05875	1.6
245.09531	2.1
249.03624	4.7
257.10345	1.5
273.09030	5.1
275.11145	3.3
299.01953	1.1
299.07263	10.7
317.06665	1.1
330.11279	1.2
331.09912	1.0
348.12247	16.6
353.08377	4.2
428.11673	1.9
428.20642	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
57.07074	0.5
59.26514	0.2
60.47187	0.2
64.96151	0.2
69.07074	7.3
70.06226	1.0
70.06590	0.4
73.06549	2.0
83.04980	0.6
84.08143	0.6
86.09709	100.0
87.10040	0.8
95.08585	0.4
112.07619	0.7
117.05740	0.2
118.08710	0.4
168.13832	0.9
186.14900	68.5
187.15208	1.0
204.06743	0.3
214.14392	27.7
215.14651	0.7
263.17691	0.3
299.23172	0.6
314.19644	10.9
327.22766	0.4
361.29449	0.2
399.28519	5.6
399.88110	0.2
427.27966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
58.06605	5.0
58.31461	0.6
58.99593	4.7
59.96741	0.8
63.94445	2.4
66.94048	0.7
70.06584	2.3
70.10274	1.0
70.10662	1.8
72.20757	0.6
73.01146	100.0
74.00665	2.8
74.02439	0.9
76.02231	20.5
77.78875	0.6
78.96783	19.4
82.06602	0.8
84.04504	19.4
84.08139	0.8
86.10564	0.6
86.99061	1.5
96.08163	3.4
99.02683	8.6
104.77928	0.6
112.03973	4.5
112.95343	0.7
116.01678	6.6
116.05325	23.4
116.07065	5.5
121.01435	26.0
124.07619	2.6
127.02152	0.8
130.05029	5.2
140.48120	0.8
142.03238	2.9
142.08646	1.0
144.01180	2.6
162.02222	11.3
170.02705	1.2
170.08127	14.5
174.28549	0.7
177.03372	2.2
179.04852	18.7
202.05334	11.1
202.07054	1.0
215.05144	0.8
219.07983	33.2
233.05881	4.4
245.06059	1.4
245.09570	0.9
251.05276	1.9
273.09055	3.5
291.06424	1.4
299.05569	1.8
308.09167	4.0
330.11499	0.7
348.12256	5.7
353.06836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00220	0.3
55.05495	0.5
56.05028	0.6
57.07069	0.3
62.42755	0.2
64.45531	0.3
69.03437	0.3
69.07040	0.4
70.06594	3.5
71.55204	0.4
72.08163	2.7
79.04378	0.2
83.06115	0.4
84.04512	0.9
84.08160	2.1
85.02906	0.6
86.09705	3.6
88.03951	0.3
94.04050	1.3
96.05584	0.4
98.00727	0.3
102.05569	0.4
107.87404	0.3
109.02832	0.3
110.07183	2.4
111.53017	0.3
115.05538	0.3
115.08773	0.3
116.07058	0.4
120.08073	0.8
122.07198	0.3
123.06687	1.0
123.33508	0.3
127.23165	0.3
129.10268	1.1
132.04466	0.8
132.08083	0.8
133.04822	0.8
133.08446	0.8
142.06609	0.4
150.07755	100.0
151.08112	0.6
151.30034	0.3
160.07582	3.2
161.07948	3.6
171.14879	0.3
199.10742	0.3
213.12422	0.3
261.41803	0.3
282.12012	1.0
295.11508	20.5
427.19632	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87161	2.9
53.03957	4.1
53.91218	3.8
55.01866	7.2
55.05516	18.5
56.05051	5.9
57.03439	9.6
58.02959	5.5
58.99581	4.0
61.01148	8.2
67.05515	10.3
69.03437	63.7
69.07075	17.5
69.46817	21.5
69.47223	5.3
70.06599	58.5
72.08163	47.6
73.01147	9.7
74.06042	4.5
76.02219	5.7
76.88644	3.5
79.05483	13.7
81.07058	9.9
83.04999	7.1
83.08655	3.5
84.04502	21.7
84.08151	27.6
85.02913	66.7
85.06557	4.4
86.09713	51.3
87.04482	4.2
89.00643	5.8
91.05495	6.9
93.07049	7.8
95.00758	6.5
95.01336	90.7
95.04979	18.7
95.08615	4.5
96.08140	5.3
97.02883	7.5
97.06542	17.7
99.02679	8.0
100.07647	6.4
100.11294	16.8
103.03957	4.0
103.05478	6.4
104.98317	12.7
105.07047	6.4
107.04982	4.9
107.08605	4.2
109.02917	6.1
110.07163	12.2
111.04460	6.0
113.02368	7.0
113.04229	9.2
113.05988	6.2
114.09171	28.8
116.05329	5.4
116.07126	5.8
119.08514	5.3
120.08124	29.2
121.10091	4.6
122.99361	4.7
123.04433	7.9
124.07629	5.1
125.02354	6.5
125.05996	73.5
127.03958	5.5
129.00032	3.9
129.10246	15.1
130.05028	5.8
136.06120	4.0
136.07597	5.0
141.05530	6.7
142.08655	23.5
142.12283	22.2
143.07042	7.5
143.11794	5.3
145.01416	5.1
151.03897	12.7
153.00002	4.8
153.05478	88.5
159.11589	4.0
170.08122	6.3
170.11795	14.4
180.99556	16.2
181.04773	4.2
182.15422	8.2
185.00717	11.9
185.05896	3.9
187.05962	3.9
189.12642	4.2
197.04457	31.0
203.54402	3.9
210.14862	11.2
213.12430	10.1
215.05519	100.0
219.07961	5.7
241.19106	6.2
247.17038	5.0
250.30498	3.6
258.21777	11.2
286.24936	9.5
312.19116	5.2
337.00131	4.7
337.21429	4.0
341.00259	3.7
368.25430	5.5
396.28525	6.2
427.17535	13.0
427.32965	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.4
67.87505	0.2
69.03426	0.5
69.58170	0.2
69.95622	1.0
70.06589	0.7
72.08167	0.3
77.11225	0.2
81.03419	0.5
84.08141	0.5
85.02903	0.7
86.09718	0.3
87.00834	0.3
91.05481	0.5
98.20769	0.2
99.20476	0.2
104.04964	0.6
105.07034	0.6
109.02866	0.5
115.05468	5.1
116.04980	0.7
117.05760	2.7
118.06549	6.6
120.08137	0.3
127.03915	0.6
130.06500	0.4
130.40370	0.2
132.04460	20.0
132.08095	28.1
133.04726	0.3
133.08420	0.5
140.04933	1.3
142.06531	9.9
145.05084	0.3
159.02837	0.3
160.07584	100.0
161.07924	1.8
178.08646	9.5
179.09079	0.3
242.95776	0.2
361.47934	0.2
426.13950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96265	0.9
51.00275	0.9
55.05515	2.4
57.03437	3.8
57.07080	18.3
62.00529	1.0
62.06097	22.2
67.05514	3.5
69.07081	4.5
71.08635	12.9
73.02673	0.9
75.06880	0.9
81.07067	7.3
83.08630	2.9
85.10174	6.2
95.08614	8.3
97.10181	1.9
98.98455	5.5
103.07541	1.1
109.10173	3.5
111.11696	1.6
116.10757	3.2
123.11729	1.8
124.01622	1.2
145.48341	1.0
155.01108	4.4
176.69501	1.0
197.63495	1.0
198.05264	1.8
211.20572	2.1
214.18025	13.8
216.06274	1.2
254.24777	10.7
285.24271	100.0
286.24701	3.1
326.64038	1.0
328.24969	1.4
365.20978	6.0
400.28381	1.1
408.25156	2.1
426.31821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.7
57.03440	7.7
61.01145	3.1
67.05502	6.0
69.03435	67.0
69.07078	3.4
70.06604	14.5
70.88521	4.9
72.08154	6.2
73.01141	8.2
79.05502	8.8
84.04514	12.0
84.08149	8.2
85.02914	61.2
86.09711	14.2
89.00620	3.2
89.04293	4.7
91.05497	6.2
95.01333	94.3
95.04982	9.1
97.02900	5.8
97.06532	10.3
99.02715	2.6
103.03942	3.1
104.98311	5.7
110.07192	3.2
111.04478	3.2
111.35044	2.5
113.02382	4.6
113.04254	2.7
113.06012	3.2
116.05340	3.7
120.08122	37.6
122.99362	7.0
123.04458	9.0
123.43375	2.7
125.06000	84.6
127.03934	5.9
130.04988	5.6
130.06520	6.0
141.05553	3.6
145.01453	4.2
151.03943	13.7
153.05475	89.2
163.13289	3.2
170.08134	5.3
180.99542	15.1
185.00708	4.5
186.92754	2.5
194.99625	3.7
197.04469	48.4
208.06009	2.5
211.14606	2.8
215.05521	100.0
216.05844	4.7
234.12427	9.1
251.05281	3.2
337.00195	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.3
55.98611	1.4
57.03434	5.4
57.07071	5.4
57.32333	1.4
57.99211	1.3
67.05509	12.0
69.07076	17.1
71.04997	2.8
71.08635	4.3
71.55095	1.3
75.40168	1.6
77.04032	1.5
79.05498	5.9
81.07060	20.7
82.48204	1.5
83.08631	6.4
85.06543	2.3
89.06048	1.9
91.05463	3.6
93.07049	14.5
95.08620	22.9
97.06533	5.8
97.10154	3.8
105.07040	5.1
107.08607	20.2
109.06528	8.6
109.10155	12.1
111.08086	2.7
119.08601	7.0
121.10162	10.8
123.08074	24.4
123.11751	3.6
125.09709	2.0
131.08606	1.9
133.10184	4.4
135.08167	2.0
135.11713	4.4
137.09627	3.4
149.13304	2.6
167.14243	3.3
177.16356	2.4
179.14322	19.5
181.15884	1.6
193.15955	1.7
201.19695	1.5
277.21735	4.9
305.28357	1.7
314.15549	1.8
333.27917	76.2
334.28256	2.1
351.29028	20.3
407.31650	4.6
425.32687	100.0
426.33096	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	426.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05033	0.4
58.09869	0.3
69.03423	0.6
70.06589	2.0
71.54601	0.4
72.08174	1.3
77.03924	0.3
81.03407	0.3
84.04524	0.5
84.08130	1.5
85.02911	0.8
86.09708	1.8
87.00858	0.4
91.05502	0.6
99.57209	0.2
104.04975	0.4
105.07027	0.5
109.02886	0.7
110.07178	0.6
115.05466	5.3
115.06257	0.4
116.04984	0.7
117.05764	3.5
118.06546	7.5
120.08144	1.4
124.07606	0.3
127.03954	0.6
129.10236	0.5
130.06517	0.5
132.04460	20.3
132.08096	27.5
133.04840	0.3
133.08440	0.3
136.07524	0.4
140.04947	0.7
142.06528	10.3
146.61990	0.2
160.07585	100.0
161.07906	1.7
178.08640	10.1
224.26854	0.2
251.12227	0.4
300.89499	0.2
305.15186	0.3
325.10590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
55.01876	14.6
55.05522	22.7
57.03427	6.6
57.07071	8.4
63.16700	3.4
65.03944	6.8
67.05509	100.0
67.05865	5.4
69.03431	32.3
69.07075	33.5
69.75676	17.7
69.76083	8.4
71.04992	12.6
71.08630	5.7
71.53268	3.8
73.02921	9.8
79.05502	28.4
81.03423	31.7
81.07063	89.1
83.05005	5.3
83.08629	15.2
85.02907	12.2
85.10184	5.7
89.06029	8.6
91.05490	26.8
92.21562	3.4
93.07030	31.3
95.08614	70.7
97.02904	69.2
97.06537	7.8
97.10175	12.9
99.04466	65.9
105.07027	19.1
106.47385	3.6
107.08595	22.3
109.02888	33.1
109.10170	29.1
111.04473	6.3
112.11260	11.2
113.04269	6.0
114.98712	3.4
119.08591	12.0
121.10159	13.8
123.11697	13.7
127.03930	73.0
131.08533	7.7
133.10155	16.4
135.11713	11.0
143.08574	5.2
145.04979	11.6
147.11688	10.4
149.13293	6.0
151.07495	4.0
161.13318	9.2
163.14827	5.6
199.48943	3.9
245.22678	4.9
261.22156	9.0
263.23779	29.9
287.80597	4.6
425.27750	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1576
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
55.05505	3.1
56.05033	2.9
58.06592	1.0
60.02915	1.2
69.03427	1.3
69.07070	1.2
70.06598	55.0
71.04990	1.2
71.54551	1.8
71.54945	1.4
72.08161	14.3
74.06071	3.8
81.03384	1.5
81.07035	1.1
82.06589	1.0
84.04507	3.0
84.08147	8.4
85.02901	2.8
86.06069	1.2
86.09710	19.0
88.04017	1.3
95.08624	1.2
97.02862	1.4
102.05544	1.2
104.05322	2.4
105.07036	1.4
110.07172	4.3
113.07162	1.2
116.07098	5.7
117.03427	2.6
120.08141	9.5
129.10226	5.6
136.07588	4.9
143.11765	1.4
145.02878	3.9
146.06065	2.4
169.13300	2.7
177.05479	6.5
180.10217	1.9
183.14981	12.9
188.06975	1.8
197.12848	1.9
211.14445	16.2
215.13896	3.8
229.15056	1.1
235.22487	1.1
254.54175	1.0
310.21240	11.1
354.15631	1.2
362.24255	1.2
395.90649	1.2
425.15738	100.0
425.27625	2.8
426.16064	3.3
428.70862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03680	1.8
53.03944	7.1
55.01863	7.2
55.05515	18.2
57.03441	9.3
57.07088	10.1
65.03933	2.0
67.05511	91.9
69.03428	12.1
69.07072	27.5
69.31747	11.8
69.32160	3.2
71.04983	7.9
71.08626	3.2
73.02913	6.2
79.05502	23.5
81.03438	10.6
81.07063	80.9
83.04980	2.2
83.08617	13.2
85.02896	4.1
85.10191	2.5
87.89604	1.7
89.06032	7.5
91.05491	19.4
93.07045	23.6
95.04957	3.7
95.08610	66.5
97.02901	100.0
97.10185	9.9
99.04460	48.0
99.08070	3.2
105.07075	9.6
107.08604	13.8
109.02892	14.7
109.10166	23.0
111.08086	3.0
111.11718	2.6
117.05460	2.1
119.08555	10.6
121.10172	15.5
123.11720	16.5
127.03921	32.2
131.08609	2.1
133.08620	1.9
133.10121	11.7
135.11687	6.3
137.09518	1.8
137.13257	7.1
145.04970	12.9
147.11688	5.9
149.02298	1.8
149.13284	7.0
159.11798	2.2
161.13248	7.7
163.14813	8.1
165.16325	2.7
175.14819	4.9
179.14227	2.2
189.16402	2.3
193.16014	2.4
235.36594	2.0
239.14754	3.3
240.15202	3.3
245.22653	10.0
263.23718	32.1
263.26263	3.2
331.38324	1.8
359.25781	2.6
419.06985	1.8
425.31171	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.8
59.04993	6.0
62.61378	2.5
67.05518	2.8
69.03431	4.2
69.07090	3.1
70.06597	4.6
71.55200	5.1
73.01147	100.0
78.96786	40.1
79.05480	3.6
81.07077	3.3
83.18484	2.3
84.08144	5.3
85.02915	2.8
86.09689	3.1
98.97581	7.6
105.01777	2.4
113.04231	6.7
116.98607	4.1
119.08585	4.0
121.01450	47.3
125.06013	3.4
130.14555	2.5
131.08597	3.0
134.99654	4.0
139.02473	51.7
140.53824	2.3
145.01393	3.4
145.10129	3.1
153.05486	3.7
157.10228	3.2
205.99315	7.2
266.11734	2.5
407.25052	2.8
407.69656	2.4
413.95963	2.7
425.17609	5.6
425.26013	3.1
439.60318	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	425.08
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99581	9.8
66.24678	3.0
67.05508	5.3
69.03431	8.8
69.33479	18.1
69.33894	9.1
70.06593	6.8
73.01147	100.0
74.59907	3.1
74.63316	3.8
79.05497	8.4
81.07067	9.5
84.08124	8.6
84.27518	2.8
85.02917	6.4
86.09704	6.0
88.35651	3.9
90.25179	3.4
90.25778	3.3
95.01342	13.8
95.08609	4.0
97.06535	3.6
98.21468	5.1
99.02709	3.4
104.98336	6.3
106.99858	3.2
107.01638	3.9
112.03407	3.4
113.04236	41.3
114.05047	3.8
115.05799	25.7
119.08523	3.9
125.05978	10.4
139.02477	6.4
145.01366	3.7
149.04565	60.6
153.05449	9.3
215.05502	5.2
321.81430	4.0
355.57486	3.4
425.25882	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	425.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99573	1.7
69.03405	2.0
70.06593	2.6
71.04446	1.9
71.16716	4.0
73.01146	100.0
79.05482	2.1
83.08649	2.1
91.11817	1.8
106.99882	5.3
111.02660	2.3
113.04215	6.8
115.05769	3.7
125.06001	2.6
139.02513	10.0
145.01453	2.2
149.04553	56.2
180.85292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20645	0.7
63.93943	0.7
63.99612	0.7
69.03414	0.9
70.06583	0.9
70.98979	1.4
77.00877	0.7
78.69778	0.8
81.03431	1.2
82.99857	2.0
83.01299	0.7
84.08134	1.1
85.02903	1.4
95.01337	1.0
97.02924	1.3
98.97568	0.8
101.00877	14.5
109.02866	1.2
113.00855	2.7
119.01925	23.2
125.05968	1.1
127.02429	2.3
129.10330	0.7
130.05046	0.9
131.01921	9.6
137.02940	2.1
139.02414	1.7
143.01904	32.0
144.02014	1.3
145.03461	8.5
147.01373	1.0
149.02959	0.9
155.01901	14.0
157.03465	7.0
161.02963	50.7
167.01903	10.8
169.03513	4.4
171.05060	2.8
173.02963	19.0
175.04532	2.0
179.01929	4.0
179.04102	0.8
181.03508	0.9
185.02959	38.1
186.03157	1.2
187.04535	4.7
188.33531	0.8
191.04037	4.4
197.02968	12.8
199.04515	1.6
203.04028	16.9
209.02992	1.6
215.03996	7.6
221.05135	2.1
227.04022	9.0
233.05113	1.2
245.05086	100.0
246.05296	2.8
255.07208	1.2
257.05093	5.9
263.06143	24.8
275.06134	13.6
293.07193	3.7
305.07132	10.4
335.08185	3.5
365.09302	5.6
425.11383	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	424.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33120	0.8
56.96570	9.8
61.47238	0.9
69.63890	0.8
70.71281	2.7
71.95274	2.4
75.12297	0.8
79.42096	0.9
83.04555	0.9
98.97590	78.2
113.31726	0.9
116.98627	57.2
134.99666	28.9
153.00697	4.7
192.98810	1.2
216.98918	2.5
221.01814	1.4
232.96721	1.8
233.96693	1.2
234.99979	7.4
236.00044	1.4
240.98746	8.7
253.01091	1.3
256.96539	1.1
258.99841	88.0
260.00043	3.7
261.02951	2.2
262.03247	1.8
263.02902	4.7
264.99316	1.6
274.97604	8.7
275.97925	2.4
277.00870	100.0
278.01062	4.3
282.01355	3.1
282.99997	40.4
283.99960	1.7
284.99774	1.0
291.02295	2.3
292.98648	3.4
297.99155	1.1
298.97751	3.6
299.97940	2.0
300.02441	4.0
301.01068	55.8
302.01080	1.4
303.01028	1.9
315.02756	1.1
316.98862	4.7
317.98984	2.1
319.02213	2.3
324.02600	1.7
342.38107	1.1
364.99411	1.4
382.99814	8.9
401.01056	24.7
402.01172	1.7
407.00235	2.7
415.02136	1.2
419.01889	5.0
424.02472	1.9
425.01178	18.1
426.01282	1.4
440.98773	1.5
441.99323	2.0
442.19583	2.4
443.02310	42.8
444.02136	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01873	4.5
55.05514	10.7
55.57211	1.1
57.03429	3.8
57.07067	3.8
65.03932	1.9
66.53309	1.1
67.05509	27.4
68.69555	1.4
69.03423	4.6
69.07072	10.1
71.05009	6.5
71.05322	1.2
71.08635	5.3
73.02911	2.7
79.05503	26.8
79.67107	1.2
81.03412	4.5
81.07068	34.0
83.08627	5.8
83.90810	1.2
85.02905	1.7
85.06556	1.9
91.05483	15.5
93.07052	28.8
95.04974	3.9
95.08614	28.3
97.02901	33.2
97.06536	4.6
97.10152	1.5
99.04467	17.3
99.08110	3.0
105.07040	12.7
107.08604	15.6
109.02892	4.4
109.06528	16.9
109.10162	14.4
111.08107	2.0
117.07031	3.4
119.08591	11.3
121.10144	19.0
122.07242	1.9
123.08080	40.8
123.11709	4.8
127.03932	12.4
131.08615	6.3
133.10135	9.6
135.08066	8.6
135.11671	8.9
137.09607	2.2
137.13235	1.2
139.93822	1.1
145.04950	4.2
145.10147	6.0
147.11682	6.4
149.09659	2.3
149.13220	7.4
151.12753	1.2
159.11728	6.2
161.13310	4.1
163.14821	2.0
171.11736	1.2
173.13280	3.3
175.14799	2.6
177.12744	2.5
179.14325	70.3
187.14838	2.4
191.14192	1.6
193.15977	2.3
205.15869	3.4
229.50491	1.3
233.19087	1.7
261.22101	9.8
275.20081	2.9
303.26929	1.9
331.26331	31.3
349.27386	6.0
405.29688	2.6
423.31067	100.0
424.31506	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05515	5.8
57.03424	2.6
57.07071	1.5
57.42534	0.7
63.13406	0.7
67.05508	7.9
69.03439	1.4
69.07072	9.3
69.81550	1.2
69.81959	2.7
71.04999	1.3
71.08631	1.4
79.05497	7.5
81.07064	13.5
83.08605	4.5
85.06533	1.8
91.05466	4.7
93.07054	9.9
93.84241	0.9
95.04974	1.2
95.08607	11.7
97.06535	1.8
97.10183	0.9
99.08099	1.4
105.07052	4.5
107.08591	8.6
109.06528	11.3
109.10187	5.8
111.08080	2.3
113.53577	0.7
117.06998	1.4
119.08598	6.9
121.06471	1.0
121.10135	5.8
123.08079	56.2
123.11727	2.3
131.08562	1.4
133.10150	4.3
135.08072	8.1
135.11685	3.6
137.09624	4.2
143.08588	0.8
145.10152	2.5
147.11699	2.1
149.09656	4.3
149.13261	2.8
151.11172	1.4
159.11708	2.4
161.13251	2.3
163.11263	1.4
165.12772	1.4
169.64861	0.8
173.13248	1.3
175.14815	1.4
177.12805	5.3
179.14322	20.0
205.15829	0.9
244.28038	0.7
247.20610	1.2
259.20251	0.9
263.20187	1.8
275.20117	4.2
289.25284	1.0
293.21259	3.6
303.26791	4.7
331.26334	38.7
332.26852	1.4
349.27377	10.5
350.27658	0.9
367.24777	3.1
405.30005	2.2
409.77158	0.8
423.31085	100.0
424.31534	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	15.6
55.01895	7.1
55.05515	32.2
57.03426	13.0
57.07075	8.0
65.03928	8.5
67.05505	87.8
69.03429	27.6
69.07068	25.1
69.23436	7.3
71.05006	9.9
73.01154	9.9
79.05495	64.5
81.03411	35.0
81.07063	100.0
83.04976	9.1
83.08614	16.9
85.02910	21.7
91.05474	43.3
92.65384	7.0
93.07052	81.6
95.04966	20.6
95.08624	73.7
97.02873	17.3
97.06566	11.1
104.98296	8.6
105.07024	58.3
107.04897	8.8
107.08588	43.4
109.10169	41.9
111.04431	9.3
111.99580	13.3
113.00344	12.4
113.04195	18.0
117.07062	12.5
119.08608	42.8
121.10122	43.3
123.08000	7.5
123.11702	12.7
128.06209	9.9
131.08585	31.6
133.10130	30.0
135.07971	7.2
135.11690	32.5
143.08557	13.6
145.10150	32.4
147.11697	20.8
147.91142	6.8
149.13245	13.9
157.10155	16.8
159.11720	25.3
161.13266	20.3
163.14806	7.9
169.10072	9.1
171.11664	8.5
173.13286	17.1
185.13258	8.2
243.21111	8.6
259.02679	9.5
259.20685	21.6
261.22159	31.9
303.23416	10.1
351.23389	7.8
369.24344	18.5
376.48697	8.4
387.25504	12.1
405.26401	24.4
423.27374	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.3
55.05512	26.0
67.05508	84.1
69.03426	14.7
69.07066	36.1
71.04988	8.2
71.55247	10.7
79.05502	64.1
81.03408	32.6
81.07067	100.0
83.05000	15.9
83.08612	15.5
85.02902	14.3
91.05469	51.6
93.07044	69.2
94.09740	6.9
95.04984	22.0
95.08593	59.0
96.49136	7.8
97.06561	9.2
105.07063	53.6
107.08624	41.2
109.02895	11.1
109.06501	15.8
109.10160	35.5
111.08126	8.7
113.04287	38.3
117.07037	24.3
117.81453	8.8
119.08592	35.0
121.10140	26.6
123.08072	23.8
123.11714	11.2
124.89157	7.9
129.07024	13.2
131.08545	42.4
133.10124	35.6
135.11716	16.6
143.08575	10.6
145.10132	26.5
147.11705	22.3
149.09692	10.4
149.13255	17.0
151.07645	7.3
155.08571	10.6
157.10135	16.0
159.11705	17.6
161.05923	7.5
161.13295	10.5
169.10292	9.0
171.11717	15.5
173.13263	18.6
175.07536	7.6
179.14368	12.3
207.22849	9.1
259.20596	12.3
331.26013	15.0
333.17517	7.9
355.20569	8.1
364.54239	8.5
369.23956	15.9
387.25183	18.7
405.26300	25.9
423.26776	15.7
423.31775	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.7
55.01874	7.1
55.05516	29.6
57.03434	10.6
57.07072	4.1
65.03944	5.7
67.05510	100.0
67.05875	5.1
69.03439	32.7
69.07074	35.4
69.62303	9.3
69.62720	6.2
71.04990	6.7
72.79888	2.2
73.02894	2.5
79.05498	70.0
81.03427	46.1
81.07065	94.2
83.05002	13.2
83.08620	12.4
84.08165	2.8
85.02909	19.6
85.06568	5.5
91.05489	59.0
93.07050	91.6
95.04980	18.8
95.08613	79.7
97.02888	12.4
97.06541	7.0
97.10173	7.3
99.04475	11.7
105.04495	2.6
105.07040	55.1
107.04971	6.5
107.08613	49.8
109.02900	5.4
109.06503	6.7
109.10155	33.4
111.04505	11.9
111.11718	2.9
113.04213	5.7
115.05465	4.9
117.07008	27.4
119.08591	45.3
121.06524	8.6
121.10159	39.6
122.67023	2.6
123.04457	3.5
123.08052	6.8
123.11724	12.8
125.09711	3.4
127.03889	6.1
128.06281	3.6
129.05489	7.0
129.06982	14.4
130.78604	2.9
131.08572	40.6
133.06508	3.9
133.10150	32.7
135.08099	5.2
135.11705	30.7
137.09648	5.9
137.13182	3.1
139.11171	3.7
141.07011	5.1
143.08571	15.2
145.05042	2.5
145.06555	4.8
145.10129	31.9
147.08099	7.4
147.11708	27.3
149.09674	7.6
149.13254	18.4
151.07585	3.3
155.08589	7.5
157.10199	14.5
159.08089	3.2
159.11719	24.7
161.09602	5.7
161.13272	18.9
163.11211	3.0
163.14847	4.9
169.10176	7.4
171.08006	3.6
171.11723	11.2
173.13280	21.3
175.11185	4.2
175.14830	8.2
181.06592	2.6
181.10039	3.8
183.11723	5.1
185.09645	4.6
185.13293	10.3
187.11162	2.9
187.14841	9.8
189.12798	5.0
189.16542	3.2
199.14838	5.4
201.12823	2.8
201.16499	3.5
203.14330	4.6
205.12276	2.7
209.13109	4.4
213.16426	3.0
215.14337	2.7
233.22986	3.2
241.19563	8.6
243.21045	5.8
259.20621	17.1
261.22171	26.9
271.20544	4.0
273.22101	5.7
275.23544	4.5
277.21570	10.8
289.21692	8.7
291.23303	6.6
299.23376	2.5
301.21597	4.8
303.23148	19.6
313.21591	3.4
315.23325	7.1
323.23663	3.0
327.23325	7.3
329.20749	3.2
333.24310	2.8
341.24835	5.1
351.23111	3.6
359.26096	4.4
369.24323	30.2
387.20724	3.6
387.25229	23.7
405.26337	32.2
423.27362	18.9
423.32394	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01872	2.1
55.05516	7.2
57.03434	4.3
65.03934	1.5
67.05171	1.4
67.05512	18.5
69.03433	17.1
69.07064	6.3
69.31328	8.3
70.14759	0.9
71.01345	3.1
71.04994	2.8
72.33324	1.0
77.73618	1.0
79.05494	15.4
81.03427	11.2
81.07069	21.8
81.38428	1.0
81.43935	1.1
83.04974	2.7
83.08616	2.2
84.08147	6.3
85.02914	14.2
85.06525	1.2
85.08475	1.8
91.05486	11.7
93.04375	1.0
93.07046	15.4
93.18805	0.9
94.97423	0.9
95.04959	3.3
95.08620	15.2
97.02899	100.0
97.06516	1.8
97.10178	1.4
98.20750	1.6
98.98512	1.1
99.04449	4.2
103.03959	1.3
105.07027	10.5
107.04922	1.1
107.08602	10.7
109.02872	3.7
109.06512	2.7
109.10156	8.9
111.04459	1.7
112.68233	0.9
113.04212	3.1
117.07067	5.6
119.08600	9.1
121.06535	1.6
121.10145	9.1
123.08038	3.1
123.11710	2.6
127.03932	8.6
129.07005	3.3
131.05333	1.4
131.08601	6.6
133.10152	6.8
135.08052	2.8
135.11662	4.7
137.09535	1.4
142.07729	1.0
143.08614	2.5
144.10201	2.8
145.01245	0.9
145.04912	1.8
145.06314	1.3
145.10106	5.9
147.08044	1.0
147.11714	5.1
149.09598	2.3
149.13257	3.7
151.50130	0.9
152.78294	0.9
155.08565	1.6
157.10117	1.7
159.11705	4.2
161.09732	1.6
161.13268	3.7
163.14746	1.3
171.11664	3.1
173.13280	3.5
175.11234	1.2
179.14323	1.2
181.10194	1.0
183.11856	0.9
185.13197	1.6
187.14838	2.2
231.81012	1.2
241.19550	1.3
246.85703	0.9
259.20453	1.6
261.22162	6.3
277.21625	1.6
285.22318	1.1
303.23215	2.6
345.24261	1.0
357.24130	1.3
369.24249	3.9
387.25293	4.6
405.26456	5.2
423.26987	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	423.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22788	0.9
53.03942	1.0
55.01873	1.1
55.05494	3.8
56.05024	0.9
57.03437	1.3
58.06620	0.9
63.46877	0.9
67.05505	2.2
68.99791	1.0
69.03443	8.5
69.07069	8.7
70.06599	7.4
70.07565	0.9
71.04986	0.9
71.15282	1.8
72.08150	2.8
73.01159	1.3
76.94412	0.8
79.05479	2.5
81.03419	5.8
81.07046	2.9
83.08624	1.9
84.04501	2.6
84.08150	6.5
85.02908	7.1
86.09724	5.3
86.10165	1.0
87.00815	4.0
90.28409	0.9
91.05493	7.2
93.07030	2.2
95.04967	1.4
95.08616	3.3
97.02892	3.4
97.06521	1.2
99.05558	2.5
103.03957	1.0
103.05473	1.2
105.01873	2.0
105.07023	11.0
105.89778	0.9
107.08586	3.9
109.02863	3.8
109.10165	1.7
110.07157	1.6
111.04414	1.1
113.04253	1.3
116.07101	1.3
117.06992	1.8
119.08585	55.8
120.08081	2.8
121.06459	1.2
121.10149	2.1
127.03942	5.5
129.10222	2.0
130.06590	1.1
131.08586	4.9
132.08087	2.1
133.10139	50.0
134.10880	3.6
135.08031	1.3
143.08588	2.0
145.10106	9.0
147.11694	15.8
157.10104	1.8
158.10965	1.2
159.02879	1.4
159.09180	1.3
159.11691	1.8
160.12462	3.6
169.10139	1.4
170.08220	1.3
171.11703	1.8
173.13281	10.8
175.14842	100.0
176.15126	1.3
177.16447	1.4
185.09810	2.4
185.13193	1.4
187.08662	2.9
187.14801	3.6
189.16307	1.2
191.80911	0.9
196.12540	1.0
201.03973	1.3
211.14780	1.6
215.14212	1.4
217.15933	2.0
219.08041	1.4
229.15907	1.2
230.12903	1.3
231.05078	3.3
239.01221	1.0
258.12140	1.0
265.15784	1.4
283.16879	3.1
291.34384	0.9
301.17950	4.3
387.17899	1.4
405.19156	6.9
423.14792	1.3
423.20132	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	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.0
55.01871	4.7
55.05503	12.0
56.05022	6.2
57.03445	7.1
57.07076	4.9
61.02934	5.5
67.05492	16.2
69.03432	11.6
69.07063	15.7
69.94745	8.8
69.95135	8.9
70.06602	24.7
71.04995	15.3
72.08162	37.3
76.02208	4.3
79.05509	9.8
81.03410	5.0
81.07066	38.8
83.04987	11.3
84.04486	8.7
84.08153	18.0
85.02911	33.2
85.06534	6.2
86.09705	23.1
91.05458	5.3
93.07047	18.0
95.04984	6.5
95.08621	27.8
97.02887	12.6
97.06545	14.3
99.04469	28.7
99.08086	8.2
101.07169	4.7
105.07044	30.1
107.08598	20.8
109.02920	5.9
109.06520	17.2
109.10166	52.4
111.08110	10.1
112.62909	3.8
116.53577	4.3
118.45658	4.0
119.08591	39.5
120.08138	39.3
121.06497	6.4
121.10157	100.0
123.08080	47.2
123.11700	11.3
125.09638	9.5
127.03841	6.3
127.07536	8.0
129.09059	3.6
129.10237	10.3
130.05019	4.3
133.10150	17.3
135.08115	5.0
135.11684	12.6
136.07573	5.1
137.09641	15.9
137.13245	11.6
141.09071	6.8
145.04907	5.5
145.10036	9.3
147.07964	5.4
147.11685	37.6
149.09654	32.2
151.07594	8.9
151.11166	9.8
161.13286	66.0
163.11208	34.4
165.12756	14.8
169.12297	11.6
171.11736	7.5
177.10240	9.6
177.97992	4.1
179.14299	24.0
181.12256	17.9
189.12776	47.5
191.14302	6.2
205.09795	6.9
205.26555	3.9
207.13855	67.9
225.14879	52.5
243.15927	48.4
293.11694	6.1
418.77542	4.8
422.13837	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	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.5
56.05023	3.5
57.03431	3.3
63.62585	2.5
67.05499	3.6
69.03428	4.3
69.07049	7.1
70.06319	1.9
70.06598	24.6
70.79842	4.1
70.80193	4.7
71.04980	7.2
72.08158	17.0
72.93179	2.8
79.05506	3.5
81.07063	29.7
81.37537	2.2
83.04968	5.4
84.04505	8.6
84.08146	19.2
85.02901	12.0
86.09705	28.7
88.03979	3.1
91.05492	5.7
93.07034	6.3
95.04972	4.6
95.08601	9.8
97.02882	4.3
97.06509	2.7
99.04459	57.0
99.08095	8.1
102.05571	3.5
105.07014	5.9
107.08572	9.7
109.06516	5.7
109.10180	14.9
110.07169	5.6
111.08098	3.2
115.03915	3.4
116.42811	2.4
119.08564	6.4
120.08092	5.8
121.10149	18.5
123.08044	9.3
123.11724	3.8
126.63494	2.1
127.07547	5.7
127.11190	5.1
129.10237	10.1
133.10153	3.2
136.07541	5.7
137.05980	2.7
137.09592	6.6
137.13254	5.9
141.09067	4.5
147.07857	2.7
147.11668	6.8
149.09657	4.1
151.11172	8.7
161.13255	8.2
163.11179	10.7
165.12782	10.8
173.09225	4.4
179.14349	5.2
181.12276	17.4
183.13799	5.6
189.12764	10.7
197.12987	2.2
207.13708	15.9
225.14874	100.0
243.15881	7.1
326.08209	3.1
404.12302	3.9
422.13205	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	422.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69810	0.4
56.05043	2.8
66.10983	0.5
69.07080	0.6
70.06585	1.3
70.47562	1.6
72.08160	0.6
73.01151	0.5
74.06089	9.7
74.19801	0.4
79.05496	0.5
84.04506	1.0
84.08145	0.7
85.02957	0.7
86.09711	100.0
87.10070	1.1
91.05498	0.9
93.07040	0.5
98.06071	0.8
104.98354	0.6
111.72258	0.5
113.04245	1.6
116.07124	1.1
120.08117	13.5
124.07547	0.6
126.05515	4.8
144.06589	0.6
166.08664	5.5
184.07529	0.6
195.11211	2.2
211.14490	1.2
239.13925	12.0
279.17050	8.6
281.12286	0.6
327.15576	0.5
335.66757	0.5
360.19296	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98801	3.2
54.18001	2.9
55.01865	6.7
55.05527	15.8
57.03425	9.2
57.07070	12.0
61.28563	2.6
61.63375	2.8
67.05512	27.2
69.06791	2.6
69.07077	32.7
71.55613	5.4
73.71892	3.0
79.05507	16.8
81.07068	40.2
83.04970	4.8
83.08620	11.7
85.06545	11.1
87.49287	2.7
91.05480	12.5
93.07039	31.2
95.04950	4.6
95.08607	29.3
97.06542	17.9
99.08092	5.1
104.98290	3.7
105.07047	15.8
106.45991	3.8
107.08602	34.8
109.06521	18.7
109.10159	12.1
111.04443	8.8
111.08050	3.7
113.04243	14.9
117.07051	3.1
119.08604	15.2
120.66041	3.5
121.10143	11.9
122.07323	4.0
123.08075	15.1
125.06007	8.9
131.08594	4.0
133.10120	6.9
135.08069	35.7
135.11713	17.9
135.94704	6.1
137.06001	17.6
137.13232	3.0
145.01398	3.4
145.10089	5.5
147.11690	6.2
149.09604	3.5
149.13261	3.6
151.07558	7.9
153.12741	4.0
157.10112	3.4
161.09590	5.1
162.84724	3.0
163.11205	4.8
165.12778	10.6
167.14333	6.1
175.11107	3.4
177.12747	10.7
179.14362	6.5
181.12277	10.1
184.04535	4.3
185.67796	2.7
191.14392	3.1
205.15947	3.2
221.19037	6.4
235.20554	7.7
249.18631	3.5
254.32327	2.8
263.20209	3.7
301.25079	3.6
305.21286	5.7
305.24774	81.5
309.63101	3.1
319.26358	24.4
329.24637	7.0
347.25833	100.0
363.19229	4.4
365.26920	10.7
393.29785	7.9
403.28494	4.6
421.24240	3.5
421.29474	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01871	3.8
55.05516	12.0
57.03441	10.5
57.07082	33.9
62.32182	1.0
66.83511	1.0
67.05512	13.0
69.07063	12.4
69.61964	1.0
70.06602	2.4
70.80498	2.1
70.80842	1.3
71.04980	2.5
71.08622	2.0
74.24033	1.1
79.05489	10.6
81.07062	23.9
83.04977	4.1
83.08617	4.9
85.06548	16.8
88.07633	2.3
89.35277	1.0
91.05485	7.4
93.07055	14.9
95.04980	2.5
95.08610	18.3
97.06541	4.9
97.10179	1.2
99.02686	1.2
101.56386	1.1
105.07038	7.6
107.08598	14.8
109.06536	18.8
109.10143	6.2
111.04461	4.7
111.08082	2.3
113.04254	10.5
117.07084	1.2
117.64684	1.1
119.08586	8.7
121.06508	1.7
121.10148	7.9
123.08067	11.4
123.11720	2.7
125.05994	2.6
125.09638	1.4
131.08578	3.8
133.10124	6.5
135.07123	1.4
135.08080	18.5
135.11708	4.6
137.04997	2.2
137.05989	26.8
137.09641	2.5
137.13235	1.3
138.06735	1.5
139.07521	2.6
143.08614	1.9
145.01433	2.3
145.10124	2.7
147.11719	4.0
149.02351	4.2
149.09660	3.8
149.13287	2.6
151.07550	7.6
151.11220	3.0
151.14841	1.1
153.12755	2.7
157.10063	1.2
159.11681	2.1
161.09644	2.9
161.13269	3.1
162.03133	5.8
163.11153	1.9
163.14880	1.2
165.09143	2.6
165.12746	9.2
171.11752	1.3
173.13292	2.0
175.11211	1.8
175.14857	2.4
177.09076	1.2
177.12753	6.5
179.14334	4.7
181.12225	1.7
184.04427	6.8
191.14291	2.3
193.05011	3.1
193.12308	3.6
195.13814	1.3
203.51654	1.1
206.05754	5.2
207.13815	10.0
228.23283	2.1
231.17566	1.8
233.19101	3.4
249.18723	2.1
249.98334	1.2
256.26349	2.9
263.20117	4.7
277.17938	1.8
291.19669	2.3
301.25180	1.7
305.24707	2.2
306.66281	4.6
319.26282	12.8
320.67773	4.1
321.17917	1.4
329.24832	5.1
337.27368	6.4
342.76358	1.1
347.25830	100.0
348.26157	2.9
365.26843	19.2
385.09091	2.9
393.29944	10.8
403.28436	3.1
421.29370	61.3
421.78461	1.9
422.29712	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	421.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.1
55.05507	5.2
56.05031	4.7
58.06604	20.3
58.99590	9.3
60.04534	2.2
60.11905	1.5
61.01146	13.6
67.05499	3.6
68.05029	3.8
69.03424	2.1
69.07054	7.9
69.30735	1.5
70.02967	1.5
70.06597	80.0
70.74290	4.4
70.99578	2.2
71.06923	2.6
71.52806	1.5
72.08143	11.7
73.01144	19.3
74.00670	7.5
74.02422	2.9
74.06084	1.8
75.02699	2.9
76.02225	6.4
76.04021	3.7
79.05489	2.8
81.07048	3.9
82.06569	2.2
83.07352	4.8
83.08606	6.5
84.04505	13.6
84.08148	15.5
85.01152	4.0
85.02907	4.3
85.04037	12.6
86.09208	2.5
86.09711	24.4
86.99054	1.7
87.10039	2.0
88.02224	2.8
90.87276	1.9
91.05476	4.5
91.60081	1.4
92.01688	2.3
94.06548	2.2
95.04963	1.5
96.92403	13.6
97.02924	1.8
97.06546	2.4
99.02684	26.5
101.04222	2.9
102.00126	1.9
104.97606	3.4
104.98323	61.3
105.97832	2.7
107.08603	1.7
109.02898	2.0
109.10206	1.5
110.07178	6.7
110.29815	1.5
110.93929	1.4
111.02699	2.1
112.03997	10.3
113.03495	4.5
113.04234	11.1
114.00081	1.5
114.03768	5.9
114.04999	3.0
115.05792	4.9
116.01691	7.6
116.05326	49.3
116.07088	28.9
116.94634	4.5
116.98316	7.2
118.99883	12.2
119.08624	1.9
120.08102	6.0
120.73859	1.5
125.00562	2.2
128.93454	1.7
129.06667	1.7
129.10251	6.2
130.05002	9.0
130.99863	4.5
131.04504	14.7
132.00627	3.1
132.10199	2.9
136.07559	2.0
136.89903	1.6
136.95526	2.7
137.06004	3.0
138.97017	6.9
142.03224	2.3
144.01193	2.8
145.01425	4.6
145.03197	1.8
146.00946	2.1
146.02180	2.2
147.02988	2.6
148.02464	6.5
157.09683	3.7
160.00591	2.9
162.02203	7.3
162.05798	3.9
164.98657	5.4
171.07697	1.5
177.03329	15.8
179.00189	6.8
179.04831	7.4
188.01932	2.2
190.96548	3.6
194.03137	2.0
202.05341	28.3
209.00446	4.4
213.02452	1.8
217.06444	9.6
219.08009	100.0
229.15450	7.8
249.03572	4.0
251.05228	20.7
259.11105	14.8
265.99707	14.4
283.02405	26.1
291.08316	1.9
301.62955	3.1
305.07928	2.3
345.07455	2.6
357.04169	7.6
372.08054	1.7
390.09610	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	421.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10052	2.2
51.38138	1.9
58.99585	7.1
61.01154	21.7
61.93898	2.2
62.62566	1.8
63.66065	1.8
66.67152	2.5
67.05509	2.5
69.07062	4.8
70.06587	2.2
70.99576	3.7
71.29054	2.4
71.29427	3.1
73.01151	28.6
74.01932	5.0
79.05521	4.0
81.07109	2.1
83.08628	5.1
86.09649	1.9
87.02716	3.2
95.04980	2.2
101.04227	6.5
101.28147	2.1
104.98325	100.0
107.08627	2.5
113.04240	19.4
116.98380	2.0
129.03717	3.6
137.00911	29.6
147.02977	59.2
161.00894	2.6
164.51067	2.6
170.70961	2.5
217.25275	2.3
299.05585	3.0
394.99078	2.2
421.04089	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	421.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42548	0.9
53.03946	1.7
55.01862	0.8
55.05515	2.0
55.65989	0.8
57.03455	0.8
57.07078	1.0
58.85165	0.7
58.99591	1.8
65.03932	0.9
67.05505	2.7
69.03434	7.3
69.07085	4.4
69.60215	5.2
70.06617	3.7
71.04986	0.9
72.08153	1.9
79.05494	6.2
81.03416	3.5
81.07063	7.2
83.04973	2.7
83.08614	1.2
84.08150	2.6
85.02895	1.2
86.09727	2.7
87.00819	1.8
90.02732	1.1
91.05483	7.9
93.07069	4.5
95.04964	1.4
95.08627	2.6
97.02894	2.8
97.06540	2.3
98.20747	1.4
98.94573	0.8
99.02703	0.9
99.04448	0.9
101.04250	1.8
104.98282	0.9
105.07043	8.8
107.04971	3.3
107.08600	23.1
109.02901	4.6
109.06504	2.1
109.10165	5.2
110.07192	0.9
112.03478	1.1
113.04247	8.0
115.05505	2.1
116.32665	0.7
117.07011	2.4
119.08578	3.8
120.08127	1.8
121.06483	1.4
121.10155	10.5
122.07329	6.6
123.08104	1.3
127.03084	1.2
127.03941	14.5
129.03706	2.4
131.08586	2.8
133.01460	0.9
133.10138	100.0
134.10457	1.6
135.08069	6.0
135.11703	1.5
137.05948	0.9
137.09628	57.9
142.99875	2.1
143.08591	1.5
145.01413	1.4
145.04980	1.1
145.10112	2.4
147.11702	2.1
148.07576	2.5
149.09674	2.3
149.13261	7.6
151.07570	1.0
158.10902	1.2
163.14844	2.6
173.13307	5.2
176.07001	0.9
191.14323	42.4
213.03978	3.8
231.05023	1.2
280.11844	4.1
298.13089	1.0
299.16281	1.0
317.17349	0.9
331.01685	0.8
335.18390	0.8
403.17990	1.5
421.12823	2.5
421.18521	1.7
428.51721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05520	8.1
57.07080	15.5
61.86710	1.2
64.58901	1.3
67.05499	3.9
69.07072	12.0
71.08646	9.3
71.56171	2.7
79.05495	11.2
81.07066	10.8
83.04993	7.5
83.08614	5.8
84.15003	1.2
85.10172	3.3
91.05477	3.2
93.07047	5.7
95.04976	2.4
95.08610	9.1
95.73329	1.4
97.06541	12.3
97.10175	3.9
99.04455	3.8
105.07045	3.6
107.04961	4.4
107.08600	5.5
109.06547	4.5
109.10177	5.0
111.04441	3.5
113.06021	1.5
119.08585	4.8
121.10213	3.3
125.06007	53.9
127.03889	7.5
135.11667	1.6
137.06004	4.0
138.13470	1.3
139.03911	8.7
141.05498	3.7
145.10139	1.7
149.09674	2.2
149.13271	4.3
151.13120	1.3
153.05479	100.0
157.10152	1.6
159.11707	3.9
161.13348	2.0
163.11211	2.5
165.77122	1.3
167.07037	3.3
175.11261	1.6
177.09271	2.2
177.12817	2.8
187.11176	1.6
191.10680	4.2
201.16472	1.6
205.12198	3.2
209.11581	2.0
265.17899	2.3
279.19669	2.8
293.21240	1.8
307.22766	2.0
335.25809	2.1
349.27551	2.3
363.29056	2.6
373.34628	5.7
401.34155	2.4
410.72479	1.5
417.72903	1.6
419.30011	1.8
419.35150	36.2
420.35867	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21798	0.3
51.90878	0.2
52.21986	0.2
55.01859	0.9
57.07066	1.0
60.69848	0.3
61.52153	0.3
71.08627	0.6
99.00815	0.6
99.03851	0.3
99.04463	4.1
111.04448	3.6
125.06001	11.1
141.05473	4.3
149.02359	0.4
153.05479	100.0
154.05806	0.8
164.12030	0.3
167.07018	0.7
269.70544	0.3
292.58099	0.3
419.35220	29.1
420.35645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94213	1.8
55.05517	2.2
58.99594	13.2
61.01150	5.8
61.97816	2.2
64.86581	1.8
67.05513	7.8
69.07075	23.6
70.06596	13.5
70.99596	2.4
71.80117	2.0
72.00363	3.3
72.08159	4.1
73.01147	60.5
79.05488	11.7
81.07053	4.7
81.25900	2.0
84.04498	7.7
84.08147	6.3
85.01144	3.3
86.09716	5.7
87.02692	4.0
88.00412	1.7
88.57980	1.7
91.05514	2.6
93.07017	2.2
95.04978	2.7
97.06532	28.4
99.02686	8.2
101.04254	23.4
102.96770	6.0
103.97546	23.0
104.98318	23.0
105.07069	3.0
107.08601	2.2
109.10127	3.8
110.07170	3.7
111.02676	9.8
111.04439	2.0
112.03472	9.8
113.04242	100.0
114.05029	4.0
115.02169	4.1
115.07626	2.2
120.08140	4.9
121.06555	2.1
127.02136	2.3
129.03709	54.0
129.10280	2.8
130.04483	8.0
131.05301	12.3
133.10199	3.5
136.95497	34.6
139.11281	1.9
142.99846	3.7
145.01431	6.6
146.02238	2.0
148.07634	2.9
153.07388	2.6
159.98378	2.1
161.00922	6.5
163.02551	2.5
168.92688	2.6
171.08430	12.0
202.05434	2.1
256.63062	1.9
257.44711	1.7
262.80530	1.9
267.00101	3.8
280.11807	5.7
299.05457	2.6
342.07281	3.7
357.01379	2.9
387.15872	1.9
421.12878	3.1
421.25214	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17656	3.8
55.01898	4.2
55.05502	8.7
57.07083	5.3
67.05508	12.3
69.03434	8.1
69.07077	8.7
71.04995	5.6
71.56618	3.8
79.05499	24.1
81.07059	26.2
83.04995	4.8
83.08586	5.1
91.05501	41.0
93.07063	37.8
95.04968	12.7
95.08617	21.9
97.06534	4.8
98.98483	7.2
103.05520	4.2
105.07040	100.0
107.08602	39.2
109.06532	96.3
109.10169	15.9
111.08099	5.9
115.05462	4.8
117.07008	17.4
119.08591	65.5
121.06527	4.1
121.10152	25.8
122.07288	4.0
123.08064	9.5
128.06216	8.1
129.07002	18.1
130.07776	5.1
131.08583	41.4
133.10147	36.2
135.08083	18.3
135.11694	9.7
135.16927	3.5
137.09637	24.5
141.07021	11.0
142.07776	17.5
143.08571	40.8
144.09320	12.5
145.10153	51.0
147.08066	16.2
147.11700	16.4
149.09595	9.1
151.11223	5.7
155.08594	11.2
156.09349	17.2
157.10144	53.1
158.10921	5.8
159.08063	6.2
159.11736	25.4
160.08940	5.1
161.09644	9.8
161.13260	4.9
165.07054	8.4
167.08591	8.0
168.09360	5.6
169.10153	20.6
170.10817	5.0
171.11728	26.8
173.13312	15.1
175.11189	7.5
179.08604	9.8
180.09361	8.0
181.10168	17.6
181.41293	4.6
183.11711	23.9
185.13290	8.7
187.11197	7.8
187.14758	4.3
189.12724	4.7
193.10190	12.9
194.10910	5.5
195.11661	22.8
196.12415	6.3
197.13286	13.8
199.11177	8.2
199.14867	7.9
206.11055	7.2
207.11726	14.5
208.12543	6.2
209.13315	18.0
210.14035	5.6
211.14824	5.9
213.12650	5.1
213.16576	4.7
221.13301	9.2
223.14868	8.6
225.12840	4.1
227.14410	5.0
235.14803	5.8
237.16449	14.6
251.14296	6.4
251.18045	4.0
259.14795	5.2
267.17575	4.1
357.25595	6.2
358.22754	4.3
418.17447	14.3
418.22473	5.6
418.28485	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	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01875	13.1
55.02114	2.3
55.05508	10.3
56.05037	2.8
57.03444	10.6
57.07076	20.7
58.69819	2.0
59.05012	13.1
60.04532	4.1
61.02923	6.3
67.05512	11.9
68.99780	3.7
69.03434	41.0
69.07075	17.4
70.06596	22.9
71.04987	5.7
71.55511	4.2
72.08166	31.4
73.01134	2.3
73.02911	6.1
79.05507	5.3
81.02974	3.3
81.03424	44.5
81.07060	7.5
83.05006	3.1
83.08608	5.9
84.04501	7.3
84.08144	16.4
85.02908	74.7
85.06564	12.1
86.09717	27.6
87.00831	29.5
91.05474	5.8
92.04395	2.2
93.07036	6.9
95.04980	6.4
95.08613	67.1
97.02895	30.9
97.06519	6.6
99.04449	16.5
99.08094	14.7
105.01868	19.1
105.07014	3.0
107.08582	9.2
109.02885	42.1
109.06530	8.9
109.10169	15.6
110.07163	4.4
111.04438	2.7
111.08088	8.3
111.11726	3.4
113.09654	61.8
115.03924	6.0
116.07117	4.2
117.01846	4.7
119.08536	3.5
120.08127	10.9
121.06538	3.5
125.05961	2.4
127.03931	58.8
127.11169	7.9
127.37202	2.1
129.01842	4.2
129.10222	7.1
135.11699	17.0
137.13257	11.1
145.04976	24.2
145.52184	2.1
147.02867	5.2
150.81068	2.1
151.07600	3.0
153.12759	100.0
155.14320	25.2
159.02921	24.5
163.11235	2.1
167.07016	2.0
171.13814	20.5
177.12733	4.3
189.03967	2.4
213.14806	3.3
215.13843	2.8
231.04973	10.6
256.12878	4.3
343.20474	2.1
367.81747	2.9
419.19638	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	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05050	1.5
60.04520	2.2
61.27253	1.4
69.07099	1.4
70.06599	17.2
70.87748	3.5
71.06922	5.3
72.08147	12.7
74.06100	2.4
83.06116	2.3
84.04533	4.1
84.08153	18.6
85.02907	1.8
86.09710	19.6
86.37587	1.5
87.05579	1.6
88.03965	1.8
91.05505	2.1
98.97582	1.6
103.05488	4.9
110.07157	8.3
112.08726	1.3
120.08115	100.0
121.08469	1.9
129.10252	8.8
130.05066	1.8
145.60538	1.4
147.07680	2.9
149.05981	1.6
166.08653	43.0
183.11098	1.7
185.13028	1.7
186.12454	2.2
200.13965	3.5
214.11964	3.9
284.73056	1.6
327.42023	1.4
373.11023	3.4
418.12933	6.0
418.26486	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	417.3365
Annotation	Neotigogenin
Peak:m/z	Relative Intensity
51.61972	0.6
55.05515	3.8
57.03436	4.1
65.71192	0.7
67.05516	3.1
69.07072	20.0
70.07427	0.7
70.81101	1.7
73.06570	3.3
79.05496	5.7
81.07059	6.8
83.04985	1.0
83.08633	1.0
91.05488	6.2
93.07040	5.7
93.82150	0.7
95.04971	1.1
95.08605	6.4
97.06544	3.5
97.10157	0.7
105.06387	0.9
105.07041	13.7
107.08600	10.7
109.10150	4.2
113.04269	0.8
115.07574	4.0
117.06978	1.4
119.04964	1.4
119.08587	10.9
120.08917	1.9
121.10143	5.3
123.08029	0.7
123.11703	0.9
125.09635	14.1
127.11229	1.4
128.11679	0.7
131.08543	3.1
133.10156	6.3
135.11726	3.6
145.10143	6.0
147.04416	4.6
147.11690	13.5
149.13269	2.5
151.11145	0.6
157.10146	1.2
159.11699	10.2
160.12354	0.6
161.13264	67.9
162.13643	1.4
163.11192	2.5
167.07072	0.9
171.11716	1.2
173.13290	5.8
175.14790	1.2
181.04823	1.0
185.13271	2.2
187.14792	1.4
196.56146	0.6
199.14888	1.7
213.16408	1.7
226.14998	0.7
226.17198	0.7
255.21100	27.9
256.21439	0.9
272.21008	0.9
273.22144	100.0
274.22559	2.6
279.53372	0.6
285.25931	0.7
323.78635	0.6
399.32742	1.3
417.27942	1.3
417.33594	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	417.3366
Annotation	Neotigogenin
Peak:m/z	Relative Intensity
53.03954	1.6
55.05517	4.2
57.03442	3.9
65.03941	1.0
67.05502	5.3
69.07079	20.4
70.06612	1.2
73.06565	2.2
79.05490	6.5
81.07072	7.4
83.04993	1.8
83.08602	1.2
91.05466	6.5
93.07030	5.8
95.01378	1.1
95.04976	3.1
95.08617	7.3
97.06531	4.2
97.10187	1.3
105.07041	14.9
107.08617	10.0
109.06503	1.6
109.10144	3.7
109.83549	1.0
113.04287	2.7
115.07555	4.8
117.07037	2.6
119.08582	15.1
120.08933	2.9
121.10140	5.3
123.04418	1.2
123.11787	1.0
125.09643	14.4
127.11239	1.9
131.08589	4.1
133.10127	5.1
135.11716	3.8
136.84598	1.2
142.90718	1.1
143.08540	1.2
145.06474	1.1
145.10141	6.0
146.76932	1.1
147.11703	11.8
149.13277	2.1
157.10204	1.1
159.11696	10.1
161.13268	72.9
162.13589	1.6
163.11145	1.1
167.07072	7.8
173.06071	1.2
173.13239	4.7
181.04948	1.7
185.13283	1.7
187.14853	1.6
189.16418	1.1
199.14813	2.9
255.21095	27.5
273.22156	100.0
274.22525	2.9
277.77487	1.1
285.25903	1.2
331.52426	1.1
391.86618	1.0
417.15280	1.9
417.33612	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3364
Annotation	Sarsasapogenin
Peak:m/z	Relative Intensity
53.03936	0.4
55.01866	0.4
55.05510	3.5
57.03434	3.5
61.33412	0.4
64.20404	0.3
67.05508	4.3
69.03421	0.5
69.07072	20.3
70.18761	0.8
70.19160	0.7
71.36423	0.3
73.06549	2.5
79.05493	5.1
81.07059	8.5
83.04954	0.9
83.08610	0.8
91.05484	4.5
93.07045	6.9
95.04973	0.7
95.08048	0.5
95.08614	6.9
97.06542	3.7
97.10152	1.1
99.08063	0.7
105.07032	16.1
107.08597	10.2
109.06498	0.9
109.10161	4.1
113.04225	0.9
115.07568	4.5
117.06998	1.7
119.08583	9.5
120.08912	0.4
121.10140	5.8
123.08041	0.4
123.11694	0.9
125.09634	16.8
127.11196	2.0
131.08595	3.1
133.10129	6.5
135.11696	5.1
143.08574	1.0
145.10124	7.1
147.11687	13.1
149.13260	2.8
151.11195	0.9
157.10124	1.1
159.10448	0.7
159.11707	9.1
161.13260	72.5
162.13583	0.9
163.11191	3.1
163.14854	1.1
167.07069	0.7
171.11725	0.9
173.13268	5.4
175.14835	1.1
183.11877	0.3
185.13281	2.4
187.14845	1.8
189.16391	0.8
199.14775	2.4
201.16362	0.7
213.16422	1.9
215.17941	0.9
218.47781	0.4
226.17305	0.4
227.18001	1.0
248.99307	0.4
255.21086	26.8
256.21564	0.7
273.22131	100.0
274.22430	3.5
285.25790	1.5
336.80228	0.4
399.32541	2.0
417.27875	0.8
417.33621	16.9
418.34055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68298	0.7
55.05517	4.7
57.03431	2.6
58.89851	0.8
59.07824	1.0
67.05502	4.6
69.06724	1.5
69.07075	20.8
70.58405	2.3
73.06543	2.4
79.05501	5.5
81.07068	6.4
83.04963	0.8
83.08605	1.6
85.01119	1.5
87.03216	0.8
91.05473	6.3
93.07050	6.3
95.04979	0.9
95.08612	5.9
97.06506	4.6
98.20765	1.0
101.78753	1.0
105.07027	14.9
107.08596	9.6
109.06557	0.9
109.10169	4.0
113.04248	2.4
115.07571	4.0
119.04928	4.8
119.08579	9.6
121.10123	3.9
125.09630	13.3
127.11182	2.0
131.08572	3.1
133.10133	5.6
135.11682	3.2
143.61632	0.8
145.10139	6.2
147.04414	18.0
147.11687	12.4
149.13258	2.5
157.10126	1.5
158.35118	0.9
159.11690	10.6
161.13263	65.8
163.11186	2.1
167.07048	2.9
171.11589	1.0
173.06033	1.1
173.13275	4.7
181.05080	1.1
185.13228	1.6
199.14757	2.5
213.16405	2.1
227.17921	1.4
255.18401	1.1
255.21103	26.3
273.22137	100.0
274.22427	4.0
275.52136	1.0
285.25891	1.3
300.33630	0.7
399.32675	1.7
417.15237	1.4
417.28391	0.9
417.33615	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	417.3365
Annotation	Neotigogenin
Peak:m/z	Relative Intensity
51.55122	0.3
53.03952	0.4
55.01854	0.5
55.05513	2.6
57.03428	1.0
57.07081	0.5
58.06595	1.1
58.99577	0.8
61.01159	0.4
66.23146	0.3
67.05229	0.4
67.05511	3.9
68.04965	0.3
69.03436	0.7
69.07072	23.6
69.48207	2.6
70.06590	1.2
70.99554	0.4
71.04977	0.7
72.00356	0.8
72.08155	0.5
73.01135	1.4
73.06562	3.1
74.09696	0.4
79.05493	5.4
81.07063	6.7
83.04946	0.4
83.08628	0.8
84.04517	0.7
84.08135	1.1
85.02863	0.5
86.09705	2.0
89.06029	0.7
91.05479	4.1
93.03384	0.3
93.07053	6.1
95.01337	0.5
95.04959	1.6
95.08042	0.6
95.08614	8.5
97.06547	4.0
99.02673	1.5
102.96716	0.5
104.96329	0.5
104.98302	1.0
105.07039	17.4
107.08601	9.2
109.06520	0.6
109.10155	3.4
112.03961	0.7
113.04243	0.8
115.07576	4.1
116.05341	2.3
116.07091	1.5
117.07014	1.8
119.08591	9.4
121.10145	5.6
123.04451	0.5
123.08026	0.5
123.11702	1.1
125.06020	1.0
125.09660	2.6
127.11126	0.4
130.05020	0.7
130.94521	0.5
131.08574	3.6
133.10133	6.5
135.11693	5.1
138.95003	0.5
139.03929	1.0
141.01936	0.3
143.08586	0.8
145.10129	7.1
147.11697	14.4
148.02502	0.5
149.13283	2.6
151.11182	1.1
153.05505	0.7
157.10118	1.1
159.09227	0.5
159.11702	10.8
160.12067	0.5
161.13264	79.3
162.13596	1.5
163.11226	2.3
163.14803	0.8
167.07054	4.9
171.11682	1.2
173.05963	0.7
173.13287	5.9
175.14847	1.1
177.03419	0.4
181.04939	2.0
185.13300	2.5
187.14856	1.5
189.16327	1.0
191.07053	0.9
197.04501	0.6
199.14812	2.7
202.05351	0.9
202.94917	1.7
203.17950	0.4
213.16388	1.6
215.05548	1.5
215.18010	0.6
219.08000	4.7
227.17906	1.2
233.08147	0.4
237.14922	1.0
251.05202	1.3
253.19742	0.5
255.21100	28.5
256.21518	1.0
259.11194	0.4
273.22137	100.0
274.22433	3.1
285.25726	2.6
381.31302	0.4
399.32553	1.1
417.15384	1.1
417.33643	24.0
418.33948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3366
Annotation	Smilagenin
Peak:m/z	Relative Intensity
53.03963	0.4
55.01862	0.5
55.05517	2.7
57.03419	0.9
57.49601	0.2
58.06597	1.2
58.19023	0.2
58.99571	1.1
60.38317	0.3
61.01127	0.5
65.03922	0.5
67.05505	4.1
68.21117	0.3
69.03403	0.9
69.07071	22.2
70.06597	1.6
70.07406	0.3
70.99586	0.7
71.04983	0.4
71.54408	0.3
71.54773	0.3
72.00360	0.6
72.08152	0.5
73.01151	1.8
73.06236	0.3
73.06566	3.6
74.00653	0.4
74.09689	0.4
75.00716	0.4
76.03965	0.3
79.05500	4.7
81.03385	0.3
81.07060	7.2
83.04980	0.6
83.08607	1.1
84.04494	0.7
84.08129	1.1
85.02898	0.8
85.06516	0.3
86.09708	1.8
89.06025	0.3
91.05476	4.4
93.07056	6.6
95.01334	0.6
95.04990	1.3
95.08060	0.4
95.08619	6.8
97.06534	4.0
99.02669	1.0
99.08097	0.4
102.96723	0.4
103.05476	0.6
103.97536	0.2
104.96335	0.4
104.98306	1.1
105.07034	15.4
107.04919	0.3
107.08601	8.1
108.08878	0.4
109.02968	0.3
109.06531	0.5
109.10154	3.4
110.93910	0.3
113.04251	0.6
115.07577	4.9
116.01697	0.3
116.05322	2.6
116.07082	1.8
117.06996	1.5
119.07796	0.5
119.08588	8.1
120.08068	0.3
121.10144	5.2
123.04432	0.5
123.11749	1.4
125.05978	1.2
125.09624	2.7
128.94980	0.3
129.06956	0.3
129.10207	0.3
130.05045	0.4
130.94563	0.6
131.04527	0.4
131.08574	4.0
133.10147	6.7
135.11708	5.2
136.95471	0.4
137.09550	0.3
138.95082	0.6
139.03886	0.9
143.08553	1.0
145.06444	0.4
145.09038	0.4
145.10129	6.9
147.11694	13.4
148.02521	0.4
149.13258	2.5
151.11162	1.0
151.14899	0.4
153.05443	1.0
157.10124	1.5
158.10736	0.3
159.09120	0.3
159.11700	10.6
161.13261	77.7
162.13614	1.2
163.11176	2.4
163.14830	0.8
165.12811	0.4
167.07050	4.3
171.11720	1.6
173.06006	0.4
173.13275	5.8
175.14851	1.2
177.03284	0.7
177.16365	0.5
181.04967	2.2
185.13286	2.2
186.13960	0.3
187.14821	1.7
189.12442	0.4
189.16403	0.9
191.07042	0.4
199.14850	2.3
201.10144	0.4
201.16447	0.5
202.05365	1.0
202.94890	1.5
203.17885	0.4
205.08575	0.3
213.16440	1.7
215.05508	1.1
215.17963	0.6
219.07994	5.0
225.16354	0.3
227.17964	0.8
237.14873	0.5
251.05190	1.2
253.19534	0.6
255.21095	27.9
256.21414	0.6
271.20782	0.5
272.20972	0.7
273.22134	100.0
274.22467	2.3
285.25674	1.9
381.31393	0.3
387.14334	0.4
399.32687	1.2
417.15384	0.8
417.33652	21.2
418.33871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.8
55.05514	8.1
56.05030	1.7
57.05818	1.3
60.04531	2.1
60.37025	0.5
61.01089	0.6
69.07068	2.7
70.06596	17.5
71.06952	0.9
71.55048	0.6
72.08160	100.0
73.08503	0.8
74.06094	2.7
83.06138	0.6
84.04499	2.9
84.08159	5.5
85.02921	0.7
86.09710	72.5
87.05581	0.6
87.10066	1.7
88.03996	4.2
91.33350	0.6
102.05552	5.2
109.10209	0.7
110.07185	3.4
113.07168	0.7
116.07099	1.1
120.08119	5.4
121.08443	0.7
127.08704	1.1
129.10257	4.5
130.05032	1.0
132.10211	4.7
136.07565	1.2
141.10242	0.7
142.08604	0.7
143.11809	27.7
145.02908	1.3
148.06055	7.9
156.10307	1.1
157.09711	0.7
159.09201	0.8
171.11296	16.5
171.14954	1.4
177.05519	2.6
183.11292	1.6
185.12952	1.0
185.16451	0.8
187.10783	3.2
187.14429	1.1
189.10773	0.8
189.12355	4.8
197.12839	1.0
197.16512	0.8
199.14479	0.6
201.12357	5.5
202.12857	0.6
203.13979	2.3
213.16003	0.6
215.10373	2.1
215.13768	1.2
219.08139	1.0
219.13560	1.3
225.15929	4.0
229.11906	4.2
229.15518	3.1
233.14961	1.1
237.15280	0.7
247.12897	15.4
261.14468	0.7
268.16632	0.9
270.18146	5.0
286.14102	1.7
286.17621	0.7
353.21713	0.7
417.17075	0.7
417.24689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
54.07333	1.4
55.05515	10.1
57.03445	7.4
57.07065	4.7
67.05508	53.4
69.07079	9.7
69.54153	2.8
69.54565	7.5
71.08631	2.5
76.97362	1.3
79.05492	18.7
81.07061	75.7
83.08620	9.7
85.06551	2.6
85.10192	1.6
91.05499	13.1
93.07050	17.5
95.04955	2.6
95.08612	58.5
97.06526	5.4
97.10149	4.5
97.46933	1.4
98.98471	92.3
99.08105	2.1
105.07008	10.5
107.08602	11.9
109.06520	2.0
109.10158	29.2
111.08083	3.5
111.11738	1.6
116.99523	1.9
119.08605	8.0
121.10144	10.9
123.11695	12.6
125.09636	2.2
131.08575	1.6
133.10162	7.7
135.11670	7.7
137.09610	2.5
137.13243	6.1
147.11671	6.0
149.13231	5.8
151.14848	7.7
151.72839	1.3
155.01045	100.0
161.13266	6.5
163.14812	7.4
165.16406	4.7
173.02199	1.5
175.14809	4.9
177.16377	1.4
179.17889	1.3
180.05157	1.3
181.16032	1.3
189.16412	2.7
203.18008	1.9
245.22672	22.7
263.23718	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.0
56.96563	0.7
69.67101	1.9
69.67509	2.7
70.06598	100.0
71.04073	0.6
71.06918	1.5
72.08160	5.4
82.06564	0.8
84.04522	3.5
84.08153	3.8
85.02911	1.5
86.09711	6.5
88.03991	0.9
93.05813	1.2
98.06064	3.5
98.97619	1.7
100.07623	0.9
102.05536	0.8
107.04998	0.8
107.87173	0.8
110.07185	2.0
112.08762	1.2
116.07105	1.4
116.98566	1.0
120.08123	2.4
120.57933	0.8
122.02762	1.8
124.07632	3.2
125.07116	1.4
126.03751	15.1
126.05464	0.9
128.98705	0.9
129.10277	2.3
129.19775	0.7
137.07146	0.9
139.08670	3.7
141.10237	1.1
150.05675	0.8
151.08618	1.0
152.07085	1.5
154.02222	0.7
154.03188	3.5
166.08723	1.2
167.08247	0.9
171.05919	1.0
172.10814	0.8
176.11905	1.4
181.69626	0.7
185.09315	1.3
199.05338	4.8
201.07027	0.8
204.11366	9.3
217.04207	0.8
217.06361	3.9
219.01707	1.1
219.08006	15.4
222.12456	2.3
250.11909	3.5
257.04282	1.0
264.13556	3.0
275.05341	1.0
296.10651	9.7
303.04773	1.0
316.13171	2.6
320.07358	3.9
335.12527	0.9
344.10992	0.8
371.12247	1.5
372.10492	25.7
373.11148	1.5
389.12891	1.5
399.11786	1.9
400.09961	9.1
417.12668	32.2
417.24213	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	417.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51218	3.7
55.01879	4.1
55.05502	9.7
62.61394	5.0
67.05497	6.6
69.03079	3.8
69.03421	10.3
69.07058	8.3
70.06253	4.8
70.06601	68.9
71.06927	6.6
71.54799	5.2
72.08154	33.4
73.01122	11.2
73.02915	7.8
74.06093	5.2
79.05497	9.8
83.15172	3.6
84.04497	10.0
84.08146	31.3
85.02894	14.8
86.09714	71.4
87.04432	5.6
91.05485	8.0
93.07036	4.4
95.01307	11.6
95.04945	8.3
95.08633	4.7
97.02889	10.6
97.06555	4.5
101.28104	4.0
101.82372	3.8
103.05416	4.8
104.98222	4.6
107.04954	7.4
109.02864	6.7
110.07141	6.1
111.04469	7.7
113.57504	4.6
116.07113	9.7
118.06573	4.5
118.57509	4.3
120.08081	16.3
123.04424	11.3
123.08051	5.5
125.02359	100.0
125.05985	4.8
127.03914	4.8
129.10251	17.8
135.04434	6.7
136.07578	6.2
141.05437	12.8
143.03426	9.1
145.06485	6.1
146.06027	5.7
151.03920	8.9
153.05443	11.7
157.04971	87.2
159.06511	6.4
159.09189	6.7
165.05540	3.9
167.07053	67.4
169.05014	5.6
173.05974	11.4
173.12886	8.0
175.76920	4.0
181.04962	24.1
185.16489	16.2
187.06053	6.4
188.07068	18.2
197.04478	42.8
201.07535	4.5
205.09764	9.3
213.07523	4.3
213.16006	6.3
215.05518	7.8
229.07130	76.8
267.06552	8.1
277.01999	14.6
387.14435	7.4
417.15649	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	417.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.5
57.03441	1.9
58.99590	34.2
61.00835	2.2
61.01156	35.7
65.03945	4.7
67.05512	12.6
69.03429	2.2
69.07074	45.4
69.85103	1.7
70.06596	8.6
70.16201	3.9
70.16597	3.4
70.99578	4.2
72.00348	2.1
73.01145	28.1
74.06118	1.7
75.02729	1.6
78.04713	2.2
79.05498	10.5
80.94600	1.8
81.07055	7.1
83.08639	3.0
83.83303	1.7
84.08154	2.7
85.01128	2.5
85.02919	3.1
86.09709	3.2
87.02701	2.7
91.05503	4.9
91.42985	1.7
93.07054	2.8
95.01311	2.6
95.04990	6.3
95.08601	4.5
96.05766	7.7
97.01124	3.8
97.06541	36.1
98.98502	1.9
99.02708	16.7
101.04253	49.5
102.96779	2.3
103.03848	2.1
103.05459	3.1
103.97543	7.2
104.98328	75.9
105.07019	2.7
106.97890	6.2
107.04963	3.1
107.08607	3.8
109.10132	5.9
111.02673	14.7
112.03461	13.6
113.04240	100.0
114.05086	2.6
115.02164	3.7
115.03815	6.4
115.05813	2.7
115.07507	2.1
116.98384	2.4
118.99878	3.1
119.08538	2.0
121.10139	2.6
123.04400	4.0
123.10828	2.0
123.11826	1.5
124.05225	1.9
127.02144	2.0
127.05620	2.1
128.94994	2.0
129.03717	88.3
130.04515	13.9
130.99847	2.9
131.05278	22.6
133.01442	5.9
136.95523	6.2
141.30408	1.8
142.99870	11.0
144.00610	2.6
145.01414	7.2
145.06537	2.6
147.11740	2.3
153.05504	2.3
161.00926	25.3
161.13229	4.8
163.00473	2.7
165.09119	2.7
167.07057	37.8
173.06013	5.6
179.00200	1.9
181.04976	15.0
181.70287	1.8
191.07056	6.4
203.05638	2.5
215.05499	2.8
215.18047	3.3
219.08011	2.3
233.08145	2.7
235.02884	10.7
235.09581	1.9
259.24261	1.8
273.22107	5.2
325.04114	4.3
386.25662	2.4
387.14429	4.3
417.15701	9.9
417.33685	3.8
425.44519	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	417.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48447	3.4
52.53043	3.2
55.05517	5.9
56.05054	3.1
58.06595	3.4
60.94645	3.4
61.01144	4.8
67.05513	3.8
68.43036	3.2
69.03417	4.5
69.07064	7.1
70.06601	42.7
71.31342	6.8
72.08165	54.5
73.01138	5.2
73.02908	5.0
79.05490	5.9
84.04500	5.8
84.08146	21.0
85.02888	6.2
86.09712	100.0
88.03997	4.2
89.22753	4.0
91.05454	4.0
93.07043	3.6
95.01328	5.4
95.04977	5.0
97.02886	7.0
97.06568	3.9
101.04249	5.1
107.04959	4.9
109.10207	3.1
110.07171	5.6
116.07099	5.6
120.08108	13.0
125.02370	60.5
125.05922	3.4
128.53340	3.2
129.10211	6.4
130.08607	3.5
143.03432	7.1
143.11729	3.7
146.05998	12.1
153.05487	5.9
157.04977	62.3
159.06580	4.6
159.09126	5.6
167.07076	34.4
169.04985	5.4
171.02887	5.5
173.06003	6.8
181.04993	13.8
185.16519	35.9
188.07066	24.7
189.10553	4.2
197.04460	21.8
205.09755	14.9
213.15993	11.5
215.05544	3.9
229.07077	44.6
233.08063	3.4
255.11342	9.9
277.02005	12.1
387.14514	6.9
417.15594	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	417.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48447	3.4
52.53043	3.2
55.05517	5.9
56.05054	3.1
58.06595	3.4
60.94645	3.4
61.01144	4.8
67.05513	3.8
68.43036	3.2
69.03417	4.5
69.07064	7.1
70.06601	42.7
71.31342	6.8
72.08165	54.5
73.01138	5.2
73.02908	5.0
79.05490	5.9
84.04500	5.8
84.08146	21.0
85.02888	6.2
86.09712	100.0
88.03997	4.2
89.22753	4.0
91.05454	4.0
93.07043	3.6
95.01328	5.4
95.04977	5.0
97.02886	7.0
97.06568	3.9
101.04249	5.1
107.04959	4.9
109.10207	3.1
110.07171	5.6
116.07099	5.6
120.08108	13.0
125.02370	60.5
125.05922	3.4
128.53340	3.2
129.10211	6.4
130.08607	3.5
143.03432	7.1
143.11729	3.7
146.05998	12.1
153.05487	5.9
157.04977	62.3
159.06580	4.6
159.09126	5.6
167.07076	34.4
169.04985	5.4
171.02887	5.5
173.06003	6.8
181.04993	13.8
185.16519	35.9
188.07066	24.7
189.10553	4.2
197.04460	21.8
205.09755	14.9
213.15993	11.5
215.05544	3.9
229.07077	44.6
233.08063	3.4
255.11342	9.9
277.02005	12.1
387.14514	6.9
417.15594	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	417.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85247	4.3
55.05515	7.1
58.99586	11.9
61.01154	5.5
67.05502	6.6
69.03445	30.8
69.07066	28.9
69.44794	23.6
69.45202	8.8
70.06601	7.2
73.01126	14.9
73.06544	5.4
79.05495	11.4
81.07068	11.9
84.08125	9.4
85.02917	27.8
93.07085	5.3
95.01341	43.3
95.04950	8.5
95.08630	7.5
97.02885	4.1
97.06528	10.0
97.10165	4.2
99.02676	4.9
105.07034	14.4
107.08601	11.0
115.05359	5.4
117.07015	5.9
117.85677	5.6
119.08598	18.3
121.10138	8.2
125.06007	35.7
129.06920	4.6
133.10132	4.9
135.11682	5.5
139.03931	9.5
142.11732	4.2
143.08420	4.5
145.10095	7.3
147.11676	15.6
149.13199	5.8
151.03905	4.6
153.05467	38.5
159.11656	17.1
161.13269	77.7
163.11133	5.5
167.07101	28.5
167.50577	4.6
173.13234	8.0
181.04938	14.7
185.46028	4.6
200.58626	4.2
215.05533	68.2
219.07977	15.0
249.44800	4.2
255.08641	16.6
255.15958	13.5
255.21022	30.3
272.20978	10.8
273.22162	100.0
331.42236	4.5
417.15598	6.9
417.33475	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	415.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90545	0.2
51.02385	0.3
53.03947	0.6
55.05503	1.0
57.03431	0.6
59.77726	0.2
65.03940	0.7
67.05515	1.2
69.03414	0.3
69.07075	4.1
70.06593	0.4
70.19994	0.8
73.06554	0.8
77.03926	0.3
78.38701	0.2
79.05499	1.7
81.07074	1.6
83.04987	0.2
83.08603	0.3
91.05486	8.9
93.07043	3.0
95.04966	0.7
95.08617	1.3
97.06532	0.8
98.20814	0.3
99.08079	0.3
103.05470	1.5
104.06255	1.0
105.07041	2.1
107.08606	2.4
109.10171	1.6
113.04250	0.4
115.07571	0.5
115.08676	0.5
117.07053	2.4
119.08591	100.0
120.08923	2.2
121.05649	0.4
121.06516	7.5
121.10149	2.9
123.11703	0.5
125.09637	2.8
127.11203	0.4
128.06297	0.3
129.07031	0.6
131.08554	1.7
133.06509	1.3
133.10120	2.5
135.08015	0.2
135.11736	0.5
142.07837	0.6
143.08592	1.2
145.10129	2.1
147.11711	2.9
149.13228	0.3
151.03931	3.1
151.11311	0.2
154.02640	0.2
155.08553	0.3
156.09358	0.3
157.10143	5.5
159.11711	3.3
161.13275	0.4
163.11194	0.2
169.10106	0.7
171.11716	1.1
173.13309	0.9
175.11232	1.4
183.11743	0.7
185.13274	0.7
187.14961	0.2
197.13353	1.3
211.14937	0.7
213.16405	0.6
224.15668	0.3
238.17223	0.3
240.52271	0.2
253.19543	8.2
257.99518	0.3
271.20590	15.3
272.21143	0.3
273.22244	0.3
283.24298	0.5
415.26639	0.5
415.31918	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	417.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.9
57.43480	5.7
62.99116	5.4
65.98971	5.2
67.05505	8.1
69.03438	35.1
69.07072	39.5
69.91080	25.3
70.06590	7.5
73.01140	24.9
79.05499	14.1
81.07046	13.7
85.02908	28.9
91.05491	11.3
95.01327	54.5
95.04964	9.0
95.08616	8.8
97.06567	14.3
104.98318	8.7
105.07039	26.8
107.08604	11.1
119.08603	10.9
121.10202	6.2
122.38501	5.8
125.06001	43.4
128.94975	9.1
133.10132	14.4
137.05959	8.9
145.10114	10.6
147.11711	14.4
153.05487	59.8
157.10152	9.9
159.11726	15.5
160.12100	7.2
161.13283	83.3
163.11115	6.1
167.07059	52.0
173.13091	6.0
181.05026	23.0
191.07062	10.2
197.45033	5.2
215.05496	81.9
219.08031	8.1
254.19952	14.0
255.08626	18.1
255.20976	25.8
271.20560	11.1
272.20911	26.2
273.22125	100.0
416.32339	14.5
417.15417	17.4
417.33383	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	415.3209
Annotation	Diosgenin
Peak:m/z	Relative Intensity
53.03941	0.6
55.05512	4.1
57.03439	4.4
60.93050	0.5
67.05511	5.8
69.03421	0.7
69.07072	18.7
69.90706	1.4
69.91121	1.2
71.08633	0.6
73.06564	2.5
73.10016	0.5
77.44124	0.5
79.05492	5.4
79.61874	0.5
81.07062	8.9
83.04998	1.0
83.08640	2.7
87.00826	0.7
91.05485	11.6
93.07051	7.4
95.08603	6.1
96.27462	0.5
97.06566	2.5
97.07079	0.5
97.10184	1.7
98.20818	0.8
99.08121	0.7
103.05460	0.6
104.06264	1.1
105.01881	0.7
105.07021	7.7
107.08595	8.4
109.06508	0.6
109.10156	7.3
115.05442	0.9
115.07578	2.8
117.07031	3.2
119.08586	100.0
120.08893	2.5
121.10151	11.7
123.11722	1.4
125.09637	12.1
127.11194	2.1
129.07025	2.3
129.37732	0.5
131.08572	5.7
133.06552	0.6
133.10120	7.2
135.08131	0.4
135.11746	3.6
141.06966	0.8
142.07785	2.3
143.08565	4.2
145.10104	6.7
147.11696	9.5
149.09628	0.9
149.13269	1.2
151.11186	1.8
155.08589	0.7
157.10135	20.9
159.11708	12.2
161.13271	1.1
163.11247	0.7
169.10138	2.0
171.11708	4.2
173.13297	2.4
175.11186	4.5
180.30569	0.4
183.11653	1.6
185.13223	2.4
196.12582	0.5
197.13263	5.0
199.14836	1.0
209.13225	0.6
211.14822	3.9
213.16502	1.4
215.17986	1.4
219.21133	1.4
224.15602	0.9
225.16386	1.9
237.22202	3.3
238.17218	0.7
242.16628	0.6
253.19522	34.2
254.19925	0.9
255.20995	0.7
255.23308	1.2
271.20578	56.0
272.20938	1.2
283.24203	1.5
341.23380	0.7
379.29889	0.9
379.99734	0.5
397.31018	1.4
415.26816	1.2
415.32001	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	415.3207
Annotation	Yamogenin
Peak:m/z	Relative Intensity
53.03948	1.1
55.01860	1.4
55.05505	3.5
55.05727	0.7
57.03408	1.4
58.06570	2.4
58.99560	1.9
61.01131	0.6
61.22489	0.6
61.26740	0.6
62.99061	0.8
63.99889	0.8
67.05508	8.9
69.03391	1.3
69.07071	27.5
70.06597	3.3
70.99544	2.9
71.55985	0.8
72.00348	3.3
72.08129	1.1
73.01144	8.3
73.06564	4.2
78.96745	1.6
79.05498	5.5
81.07053	10.3
83.08600	1.6
84.04453	1.2
84.08112	2.4
85.02888	1.4
86.09673	1.9
86.77187	0.6
87.02676	0.9
91.05058	0.6
91.05477	6.2
93.07050	9.4
95.01305	2.1
95.04948	2.1
95.08614	9.2
97.06536	5.2
99.02657	3.1
102.96739	3.4
103.97527	0.9
104.98275	2.7
105.06367	0.9
105.07040	9.7
107.07994	1.0
107.08605	12.2
109.10154	12.9
110.93926	2.8
112.03939	1.5
113.04195	2.1
113.10896	0.6
113.32600	0.6
115.07602	3.3
116.01646	1.1
116.05336	6.6
116.07074	3.9
116.86607	0.7
116.98251	0.8
117.06982	2.5
117.99030	0.7
119.08581	6.9
121.09314	1.2
121.10147	18.4
122.99371	0.7
123.08061	0.6
123.11713	1.2
125.05967	1.6
125.09646	4.1
127.11162	0.7
128.06137	1.0
128.94980	3.5
129.06964	3.0
129.10194	0.7
130.05011	2.2
131.04446	0.7
131.08580	9.1
133.10133	15.2
135.11687	3.8
136.95508	4.1
137.09615	1.2
141.06972	1.0
142.07793	3.8
143.08556	6.6
144.09286	1.0
145.10121	11.6
147.10495	1.0
147.11690	17.7
148.02534	1.2
149.09625	1.4
149.13261	1.5
150.96994	1.1
151.11145	2.4
153.05438	1.9
154.96495	0.8
155.08533	2.9
157.10136	37.0
159.11697	22.4
161.09633	0.6
161.13263	2.0
162.02095	0.7
163.11192	1.6
166.96510	0.8
168.09364	0.9
169.10095	3.0
171.11679	7.6
173.13307	3.7
175.11214	6.5
175.14851	1.0
177.03256	2.4
177.12782	0.7
183.11752	3.2
185.13168	3.5
187.14825	0.8
197.13278	7.6
198.14032	0.9
199.14919	1.5
200.95319	8.5
202.05338	2.6
209.13348	0.7
211.14853	5.8
212.15547	1.0
213.16342	2.1
215.05510	0.8
215.18118	0.8
219.07982	11.7
223.14595	0.8
224.15657	2.0
225.16422	3.7
227.18025	0.9
237.04272	1.0
238.17126	1.6
251.05151	3.0
253.19528	51.2
254.19875	1.0
254.58789	0.7
255.21126	1.2
271.20575	100.0
272.20773	2.1
283.24207	3.5
320.28506	0.6
355.05960	0.7
379.29858	1.0
397.31024	1.7
415.32120	27.0
416.32544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87278	0.3
55.05509	0.6
56.05035	0.4
58.06598	0.3
61.01144	0.3
61.07805	0.3
69.07067	4.3
70.06586	1.2
70.54379	0.9
71.60207	0.3
72.08159	5.1
84.04507	1.1
84.08171	0.5
86.09708	100.0
87.10045	0.6
95.01337	0.3
96.97825	0.8
110.07167	0.4
120.08110	0.3
132.10197	4.1
143.11790	5.1
146.11830	0.9
147.04390	0.3
161.13304	0.4
164.82843	0.3
168.98129	0.8
171.11278	4.2
189.12373	5.8
199.18069	26.7
200.18501	0.5
219.07948	0.5
227.17545	17.1
245.18715	1.0
257.18515	0.4
273.22256	0.3
275.11227	0.5
284.19708	2.1
302.20709	4.8
312.19254	0.8
415.29260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01860	1.4
55.05505	3.5
55.05727	0.7
57.03408	1.4
58.06570	2.4
58.99560	1.9
61.01131	0.6
61.22489	0.6
61.26740	0.6
62.99061	0.8
63.99889	0.8
67.05508	8.9
69.03391	1.3
69.07071	27.5
70.06597	3.3
70.99544	2.9
71.55985	0.8
72.00348	3.3
72.08129	1.1
73.01144	8.3
73.06564	4.2
78.96745	1.6
79.05498	5.5
81.07053	10.3
83.08600	1.6
84.04453	1.2
84.08112	2.4
85.02888	1.4
86.09673	1.9
86.77187	0.6
87.02676	0.9
91.05058	0.6
91.05477	6.2
93.07050	9.4
95.01305	2.1
95.04948	2.1
95.08614	9.2
97.06536	5.2
99.02657	3.1
102.96739	3.4
103.97527	0.9
104.98275	2.7
105.06367	0.9
105.07040	9.7
107.07994	1.0
107.08605	12.2
109.10154	12.9
110.93926	2.8
112.03939	1.5
113.04195	2.1
113.10896	0.6
113.32600	0.6
115.07602	3.3
116.01646	1.1
116.05336	6.6
116.07074	3.9
116.86607	0.7
116.98251	0.8
117.06982	2.5
117.99030	0.7
119.08581	6.9
121.09314	1.2
121.10147	18.4
122.99371	0.7
123.08061	0.6
123.11713	1.2
125.05967	1.6
125.09646	4.1
127.11162	0.7
128.06137	1.0
128.94980	3.5
129.06964	3.0
129.10194	0.7
130.05011	2.2
131.04446	0.7
131.08580	9.1
133.10133	15.2
135.11687	3.8
136.95508	4.1
137.09615	1.2
141.06972	1.0
142.07793	3.8
143.08556	6.6
144.09286	1.0
145.10121	11.6
147.10495	1.0
147.11690	17.7
148.02534	1.2
149.09625	1.4
149.13261	1.5
150.96994	1.1
151.11145	2.4
153.05438	1.9
154.96495	0.8
155.08533	2.9
157.10136	37.0
159.11697	22.4
161.09633	0.6
161.13263	2.0
162.02095	0.7
163.11192	1.6
166.96510	0.8
168.09364	0.9
169.10095	3.0
171.11679	7.6
173.13307	3.7
175.11214	6.5
175.14851	1.0
177.03256	2.4
177.12782	0.7
183.11752	3.2
185.13168	3.5
187.14825	0.8
197.13278	7.6
198.14032	0.9
199.14919	1.5
200.95319	8.5
202.05338	2.6
209.13348	0.7
211.14853	5.8
212.15547	1.0
213.16342	2.1
215.05510	0.8
215.18118	0.8
219.07982	11.7
223.14595	0.8
224.15657	2.0
225.16422	3.7
227.18025	0.9
237.04272	1.0
238.17126	1.6
251.05151	3.0
253.19528	51.2
254.19875	1.0
254.58789	0.7
255.21126	1.2
271.20575	100.0
272.20773	2.1
283.24207	3.5
320.28506	0.6
355.05960	0.7
379.29858	1.0
397.31024	1.7
415.32120	27.0
416.32544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.5
55.05511	1.3
56.05019	1.4
58.06583	2.7
58.08213	0.8
58.99580	1.4
61.01147	3.0
67.05499	2.0
69.07062	3.8
70.02922	1.1
70.06596	27.3
71.04998	1.2
71.06132	7.6
71.54704	0.8
71.55038	1.0
72.04520	3.4
72.08170	8.1
73.01137	3.8
74.90723	0.8
75.00748	0.9
76.02220	3.0
77.00630	6.9
77.36691	1.0
81.03416	2.1
81.07051	1.5
84.04511	10.5
84.08151	6.1
84.83488	1.0
85.02903	1.9
85.06541	2.3
85.08514	1.0
86.06050	2.0
86.09715	15.9
88.04058	1.2
91.05475	1.6
92.98323	4.8
93.07054	1.5
95.04981	1.3
99.02692	1.2
101.07210	1.0
104.98328	26.8
112.07621	9.6
113.06045	1.3
114.03745	2.5
116.05354	1.3
116.07123	1.4
118.03250	17.4
119.08542	1.0
120.08109	2.7
124.07565	2.6
127.03925	1.4
129.10242	3.8
130.03241	25.1
130.04918	1.8
130.08632	1.5
133.01437	13.0
139.08646	0.9
142.08635	4.6
144.04774	2.9
145.03169	3.3
147.05879	47.9
147.11664	1.0
148.09697	2.0
150.04065	4.5
157.04279	3.2
162.02185	1.1
162.05853	2.2
163.02489	1.1
164.02002	2.6
165.01797	2.0
170.08163	1.3
171.05870	1.7
183.11320	2.2
184.09679	4.1
185.16585	1.1
201.12372	1.5
213.12392	2.2
221.07791	100.0
245.09691	1.8
249.51480	0.9
253.14325	1.0
259.11136	9.0
260.11826	4.6
277.12152	11.2
283.05997	12.1
285.07623	19.9
291.09854	2.0
293.09940	6.6
309.07562	3.2
323.09012	1.4
333.13025	16.5
337.07065	5.5
361.06992	1.3
367.08344	1.4
379.08084	1.9
397.08368	1.4
397.13330	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	415.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
58.99577	3.2
61.01158	4.2
64.05679	0.9
65.94965	0.8
67.05487	3.0
68.75829	0.9
69.07055	3.0
70.35062	0.8
71.32812	1.0
71.33170	1.3
72.41325	0.8
73.01152	7.4
79.05498	1.7
81.07036	2.3
83.08623	0.9
85.01127	1.5
87.02696	1.8
89.00610	1.8
91.02185	1.5
93.07017	1.2
95.04986	6.2
95.08640	0.9
96.05147	1.7
96.05755	31.1
97.06537	8.4
99.02673	2.5
101.04234	3.2
103.02187	1.0
104.22517	0.9
104.98311	15.5
107.08555	1.1
111.02659	2.8
112.03455	1.9
113.04235	14.2
114.97295	0.8
115.02158	1.1
115.05798	1.8
116.98310	8.8
118.99072	1.0
118.99873	15.0
123.08092	1.8
125.04220	1.8
127.02169	5.0
127.05760	2.4
129.03703	7.1
130.04546	0.8
131.05295	2.1
133.01410	1.1
136.08855	1.4
142.99834	2.7
144.00644	1.4
145.01414	4.0
145.03162	1.3
145.10106	1.4
147.02980	7.0
159.11717	0.8
161.00911	100.0
161.13358	1.4
163.02446	0.9
169.06808	2.7
192.98262	1.2
201.04016	3.1
211.86229	0.8
235.02808	4.2
251.02321	6.5
273.22064	1.4
325.04138	3.5
415.31876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11309	0.6
56.05032	2.0
57.42948	0.6
58.99584	0.9
59.06129	0.8
61.01143	1.8
62.83784	0.7
70.02942	0.9
70.06592	6.5
70.99594	0.7
71.56294	1.0
72.08163	3.8
72.99886	1.1
73.01143	5.2
74.00661	2.0
74.09727	0.9
75.01479	0.7
76.02216	2.2
76.03999	2.6
78.96780	2.6
79.05534	0.8
81.07047	0.8
84.04507	25.4
84.08157	3.8
85.02909	1.2
85.04032	28.2
86.09714	7.2
88.95192	2.9
91.05515	0.9
96.92410	6.8
98.06025	0.7
98.83570	0.7
99.58103	0.7
100.03957	0.9
104.97610	1.4
104.98319	30.6
105.97844	100.0
107.99460	0.8
110.07178	1.6
113.03487	9.3
115.08755	0.7
116.01675	0.8
116.07088	1.0
120.08128	3.6
129.10249	1.9
130.05019	6.0
131.04536	53.6
136.68571	0.7
138.97061	34.3
142.12289	1.4
143.04546	5.1
143.11826	0.9
151.03889	0.7
168.98042	0.8
171.98892	1.6
177.03333	1.9
182.01270	21.7
193.99373	1.4
209.00517	36.6
210.14915	0.8
221.12943	2.1
232.05270	0.8
268.01306	11.4
285.03967	20.3
285.06995	1.3
321.04147	1.4
326.23080	0.7
339.05078	7.9
351.04828	1.2
397.05688	0.9
414.08432	2.5
431.82245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	2.0
58.51352	2.0
58.99591	20.1
59.57930	1.8
61.01159	25.4
67.05492	6.7
69.06731	2.1
69.07072	24.6
70.99534	2.3
71.27093	4.6
73.01149	12.3
77.30215	2.3
79.05476	8.0
95.05000	2.6
96.05748	5.0
97.06548	16.6
99.02678	8.3
101.03756	2.0
101.04254	25.5
103.97523	4.1
104.98323	49.0
111.02697	15.1
112.03470	20.7
113.04237	100.0
115.02148	2.8
127.02108	2.3
129.02808	3.7
129.03719	51.9
130.04510	10.5
131.05286	15.4
133.01434	5.1
136.95433	3.9
142.99849	15.6
144.00638	5.1
145.01389	5.5
146.24026	2.3
161.00972	17.1
180.07893	2.0
203.05598	4.7
205.15642	2.0
235.02814	47.8
325.03964	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	415.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32331	1.8
56.55968	2.0
57.07063	3.1
58.51788	2.0
58.99592	39.2
59.96703	2.4
61.01157	34.8
65.03958	2.8
67.05506	14.8
69.06719	4.0
69.07072	46.4
69.92536	9.6
70.99589	3.5
72.00349	2.5
73.01153	31.3
76.44210	2.2
79.05488	6.3
82.07834	2.8
85.01072	2.5
88.49082	2.1
89.00587	3.9
95.04970	5.5
96.05762	6.1
97.01101	2.4
97.06545	33.8
99.02694	17.4
101.03638	3.8
101.04251	48.8
103.97553	5.8
104.98328	76.7
105.40582	2.3
109.10159	3.0
111.02679	19.3
112.03470	11.8
113.04243	98.1
114.05017	3.0
115.02129	4.2
116.98281	3.7
129.03714	100.0
130.04515	17.4
131.05293	21.0
133.01405	7.7
136.95493	7.9
142.99873	25.2
144.00630	6.1
145.01411	10.2
161.00900	27.4
163.02478	3.8
235.02890	11.5
251.02327	6.8
325.04114	4.1
348.48590	2.1
396.42722	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.3
55.05505	3.9
56.05032	7.4
57.05784	1.3
58.06601	14.2
58.29097	1.0
58.99579	5.4
60.04530	11.1
61.01158	5.9
61.01416	1.1
63.09228	1.1
65.03947	1.1
66.18179	1.1
67.05493	5.4
68.05026	3.2
69.03427	6.1
69.07081	8.3
70.02948	1.5
70.06595	67.0
70.90599	2.0
70.90922	1.8
71.04982	2.6
71.06906	3.7
72.08166	9.5
73.00780	1.8
73.01147	24.7
73.02901	4.2
73.05305	1.5
73.53412	1.1
74.00677	6.2
74.06068	1.4
76.02208	4.6
76.03997	1.2
79.05467	3.8
79.57478	1.1
81.03413	5.0
81.07055	6.9
81.54514	1.3
82.06573	2.9
82.33023	1.1
83.04961	4.9
83.06121	5.8
84.04507	100.0
84.07691	2.2
84.08150	28.3
85.02908	8.7
85.06532	1.7
85.08457	2.7
86.09707	70.6
86.99053	1.5
87.05577	5.2
87.10036	4.6
88.04006	2.9
91.05491	8.8
92.01698	2.9
92.98352	1.4
93.07063	6.5
95.04947	4.0
95.08595	1.3
96.08145	12.4
97.02890	5.7
97.06535	4.2
98.06040	5.5
99.02692	12.6
99.04454	2.9
100.03419	1.6
100.07597	1.8
100.11249	2.2
102.05556	4.1
104.98322	25.8
105.00074	1.3
105.07018	6.5
107.04932	3.3
107.08581	4.2
109.02874	3.5
109.06513	4.2
110.07150	5.2
110.09647	1.2
112.04018	1.3
112.08701	1.7
114.03734	3.4
115.03926	1.3
116.01649	1.5
116.05326	15.7
116.07100	7.2
118.03200	1.6
119.04931	2.8
119.08578	2.6
120.01163	3.8
120.08104	4.5
121.02834	1.6
121.06523	3.2
121.10075	1.4
123.04413	1.7
124.07587	12.0
126.05518	6.8
127.03884	3.9
128.10728	3.8
129.06598	2.9
129.10254	11.5
130.03300	2.1
130.05008	44.2
130.06435	6.6
130.10623	1.6
130.99895	3.3
131.08588	2.1
132.08032	2.6
133.06480	2.4
135.08086	2.2
136.07579	9.0
137.06042	2.2
141.10231	4.5
142.03204	3.3
142.08685	5.8
142.12299	1.9
143.08618	1.9
143.11810	3.9
145.03185	66.0
145.06206	2.4
145.10141	6.0
146.06905	2.0
147.05841	4.8
147.07796	2.2
148.02487	2.1
148.06485	1.3
149.05959	1.6
151.07582	1.5
153.06581	3.7
155.08356	1.6
156.06564	3.6
157.10060	1.7
157.13361	3.1
158.02672	4.4
159.09167	4.2
159.11627	4.4
160.04280	12.2
162.05855	39.3
163.11195	4.5
164.07005	1.6
165.09109	1.4
169.09766	5.6
170.08130	38.0
171.07741	1.5
172.04259	2.1
173.09285	10.3
173.12897	15.7
174.00388	1.5
174.13161	4.2
176.03763	2.0
177.00397	2.9
182.08186	1.4
183.11400	2.0
183.14929	2.3
185.12900	3.5
186.02211	4.0
187.11154	4.5
188.03769	2.5
189.09085	1.4
189.12732	1.8
191.10638	3.4
193.04623	3.5
194.03079	16.5
195.11249	1.6
199.07324	2.7
201.08800	5.3
201.12387	3.0
202.05370	6.0
205.12169	2.0
213.12422	1.3
215.10695	3.5
215.13945	1.7
217.08304	1.9
219.07985	11.6
228.06461	1.2
232.02676	3.2
233.11703	2.8
233.15450	1.3
234.04347	2.5
240.13406	1.4
243.13571	1.5
247.11127	1.6
249.05417	45.7
250.06105	2.7
251.12726	1.9
255.17027	1.5
260.12021	1.7
266.01550	3.3
273.08777	1.3
274.07373	3.0
274.10251	1.3
275.11026	7.5
279.13382	3.1
282.18198	3.6
283.06174	3.4
291.10083	33.5
323.07312	17.6
359.14893	2.1
377.16101	2.8
395.16824	4.5
410.08102	1.4
413.21414	4.1
413.26352	1.4
413.75461	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	413.087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79636	0.8
55.01874	2.8
55.05509	1.6
56.05044	6.1
58.06601	6.0
58.99586	3.0
60.04524	1.4
61.01153	12.8
66.24569	0.8
67.05524	1.1
68.05028	2.6
69.03436	2.0
69.07059	2.5
70.06599	14.3
70.99580	2.7
72.08159	8.4
73.01143	1.4
73.02916	7.9
74.00670	9.7
74.06067	1.4
76.02225	1.8
79.05492	1.1
81.07069	1.8
82.06578	1.3
83.06113	8.7
84.04510	100.0
84.08151	18.3
85.02897	5.3
85.04825	1.4
85.08492	1.1
86.06104	0.8
86.09721	11.3
87.05575	1.2
88.03973	2.0
91.05497	1.9
92.01704	2.9
93.07061	0.9
95.04971	1.0
95.54980	0.7
96.08138	23.1
97.02917	1.7
102.05550	2.9
104.05347	1.0
104.98324	82.1
107.99374	1.5
109.06564	1.8
110.06041	1.0
110.07181	6.7
114.05541	0.9
115.31148	0.8
116.05302	1.2
116.07062	1.2
117.07003	1.0
119.08488	0.8
120.01170	9.5
120.08129	4.8
120.99551	1.8
121.02900	1.6
124.07606	19.5
126.09155	1.6
127.04013	0.9
129.06593	6.4
129.10243	7.9
130.05014	30.8
130.10583	1.1
130.93063	0.8
130.99886	4.4
135.08072	1.0
136.07591	2.7
136.97276	3.2
140.01639	1.2
142.08652	9.6
148.02521	1.8
149.09665	2.0
153.06581	6.5
153.99918	6.2
155.08199	2.1
156.06551	3.9
156.07683	1.9
157.09882	1.3
158.02737	2.3
158.99336	1.2
159.09210	1.1
170.08138	75.0
171.08548	1.1
173.09406	1.0
173.12872	1.7
177.00407	6.5
177.09108	1.6
181.06131	1.2
185.03839	1.1
186.02190	4.6
189.09148	1.8
194.03062	42.9
199.07153	6.5
203.04845	1.4
213.12360	1.5
215.14236	0.8
231.04372	1.2
232.02776	4.3
249.05431	34.4
260.04251	2.2
266.01498	8.9
277.06769	3.3
306.04636	3.8
323.07324	55.9
324.07526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
55.05502	3.2
56.05034	7.1
58.06595	6.6
58.99576	3.7
60.04535	1.8
61.01147	13.4
68.05018	3.4
69.07054	3.2
70.02974	1.6
70.06596	25.1
71.10370	1.2
72.08154	10.9
73.01139	1.5
73.02921	10.4
74.00666	9.6
74.06091	1.9
76.02244	2.1
79.05468	1.8
81.03397	1.2
82.06573	1.7
83.06096	12.7
84.04507	100.0
84.08141	25.4
85.02892	4.8
85.04823	2.2
85.08468	1.7
86.06033	1.4
86.09711	21.8
91.05492	3.1
92.01691	3.4
94.06597	1.0
95.06069	1.9
96.08131	23.1
96.56097	1.4
102.05535	3.9
104.98318	86.0
105.97820	2.2
107.08625	1.6
107.99390	2.4
110.06041	1.2
110.07167	9.4
112.07637	1.5
116.01723	1.3
116.05379	2.0
116.07101	2.7
120.01166	9.9
120.08111	4.9
120.99574	2.5
121.02854	1.9
124.07587	16.6
127.03880	1.4
128.07074	2.1
129.06598	6.0
129.10246	9.8
130.05003	32.4
130.08609	1.6
130.99838	4.1
135.59016	1.1
136.07545	3.4
136.97270	4.6
140.01682	2.8
141.10269	1.2
142.08617	10.5
145.10077	1.4
147.08092	1.8
148.02492	3.7
153.06612	7.7
153.99925	5.9
155.08212	1.7
156.06516	3.6
156.07666	1.3
157.09785	1.5
158.02730	2.8
162.02223	2.0
164.98666	1.3
170.08125	76.8
171.08553	1.2
173.12994	1.1
177.00372	6.3
185.03723	1.3
185.09283	1.5
186.02168	5.5
189.09122	2.0
194.03059	48.1
199.07141	7.9
211.91183	1.0
213.12340	2.3
219.08066	1.8
232.02747	3.5
237.74020	1.3
238.78957	1.2
249.05417	38.1
260.04108	2.1
266.01611	7.6
277.06778	2.4
287.05463	2.6
296.15875	1.2
306.04843	2.9
306.20624	1.2
323.07300	59.5
324.07501	2.7
385.25333	1.5
413.08463	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65436	3.5
53.31876	3.9
57.03430	4.2
58.99571	9.3
59.31820	4.0
61.01155	25.7
63.00713	4.3
67.05490	5.9
69.03435	29.1
69.81846	10.0
69.82263	11.1
70.99591	5.4
73.01149	45.8
77.75594	3.8
79.05477	9.8
81.07066	5.1
85.02908	29.7
95.01334	53.3
95.04976	9.1
95.08614	5.7
97.06518	8.3
99.02686	4.1
104.98287	10.9
106.97878	18.2
106.99879	9.3
111.02588	3.6
112.03426	5.0
112.22673	3.6
113.02354	3.5
113.04253	33.0
123.04410	7.9
125.00959	25.8
125.05990	43.5
127.00478	28.5
129.03668	4.4
141.05518	4.9
142.99934	4.7
143.06938	3.7
145.01421	4.0
151.03934	8.0
153.05470	54.0
158.06834	3.5
163.02434	6.7
175.83945	3.8
197.01259	7.6
197.04440	16.5
199.00832	62.3
215.03546	7.5
215.05516	100.0
219.34465	3.5
221.77748	3.8
255.08762	4.7
338.59494	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	413.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.1
55.34967	5.1
57.03434	6.9
67.05508	18.7
69.03438	44.6
70.06597	10.9
70.08570	6.1
70.21228	5.6
70.70751	6.9
70.71070	10.6
73.01129	13.8
73.37830	5.8
79.05494	15.1
81.03426	8.8
81.07082	6.6
84.04511	6.1
84.08113	5.6
85.02914	39.2
93.07071	9.6
95.01340	65.8
95.04975	13.9
95.08611	7.9
97.06538	5.7
105.07040	9.5
107.08582	11.2
109.06516	10.9
109.10213	13.5
112.13982	5.3
112.68505	5.5
113.04276	10.7
113.06028	13.9
116.07063	7.1
119.08548	8.3
121.10178	11.3
125.06000	62.9
133.10133	6.8
135.11665	9.3
137.06007	13.0
145.10130	8.1
147.11705	12.7
153.05457	67.0
156.50610	5.4
157.10139	24.0
159.11693	17.5
163.02472	5.8
171.11882	6.8
177.03357	6.2
182.99100	7.7
184.98782	10.3
185.00694	19.0
187.00266	7.1
197.04489	10.9
197.13287	6.4
198.98996	6.0
213.24876	6.2
215.05533	100.0
219.07967	8.4
233.24699	5.6
251.05173	7.7
253.19528	29.5
255.08647	29.3
271.20557	45.2
321.00925	6.2
323.00443	21.9
370.60248	5.4
413.30563	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	413.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28099	2.2
57.03431	6.3
61.01149	2.3
67.05481	2.9
69.03436	23.7
69.07072	4.1
70.62657	4.8
70.63012	3.7
72.07484	2.1
73.01147	34.1
75.30718	2.1
78.95853	2.0
79.05498	5.6
85.02493	2.4
85.02913	23.9
95.01340	42.4
95.04953	10.2
95.83659	2.1
97.06534	7.9
103.03977	2.8
106.99879	7.9
107.04942	2.6
113.02366	4.1
113.04230	8.6
113.06025	3.2
123.04400	5.6
125.00916	3.0
125.05997	35.9
127.03933	2.6
141.05498	4.6
143.07013	5.8
144.91199	2.3
151.03900	9.4
153.05478	44.6
169.21895	2.4
176.12422	2.3
187.05997	4.2
197.04480	22.5
215.05519	100.0
255.08656	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	11.6
55.04241	1.1
55.05507	2.8
56.05030	5.5
57.02163	3.6
57.03428	1.5
58.06604	14.1
58.99590	6.4
60.04517	3.5
65.03945	1.8
67.05505	10.4
68.05019	1.7
69.03423	1.8
69.07061	3.7
69.85511	5.1
70.06598	24.5
71.06924	1.1
72.04517	1.6
72.08144	7.7
73.01132	8.3
73.05309	7.3
73.52012	1.0
74.00673	4.8
74.02438	3.3
75.03219	1.3
76.02229	8.2
76.04007	10.0
78.96256	0.8
79.05483	2.0
81.03423	2.9
81.07041	2.7
82.06569	1.5
83.04980	1.9
83.06074	2.7
83.94058	1.1
84.04510	100.0
84.08143	9.0
84.45164	0.8
85.02895	3.5
85.06532	1.2
86.09214	1.5
86.09711	22.8
86.99039	1.9
87.05585	2.1
87.10048	1.7
88.02208	1.0
88.03998	0.9
89.04256	1.7
89.04752	1.3
91.05474	2.6
93.07046	2.0
95.04979	2.5
96.08127	2.2
97.02885	1.7
97.06576	2.0
98.06065	42.9
99.02688	28.1
99.05582	6.9
100.02193	2.0
100.03456	5.9
100.04024	2.1
100.07619	7.3
101.04216	3.1
101.04768	3.4
101.07153	1.6
102.00109	2.7
102.05550	2.1
103.06294	3.2
105.07027	2.2
106.98617	2.1
107.08511	1.1
109.06525	1.9
110.06021	1.2
110.07154	4.5
110.09701	1.2
111.03197	2.0
111.06828	1.3
112.03975	13.9
112.08663	1.5
113.00568	1.5
115.05553	0.9
116.01676	6.6
116.05329	57.1
116.07085	14.4
118.06860	7.4
120.08103	2.5
123.04371	1.1
124.07571	2.6
126.05526	46.7
127.02126	1.8
127.03938	1.1
127.05040	1.9
127.08646	2.5
128.02908	11.1
128.05849	2.5
129.04279	7.5
129.06555	2.5
129.10251	2.8
130.03236	4.2
130.05009	47.7
130.06560	2.8
131.04611	1.1
133.10072	1.5
135.05345	1.5
136.07607	3.2
141.06654	1.5
142.03209	2.9
142.08603	1.4
144.01152	2.3
144.04803	1.7
145.03177	2.7
145.06064	10.0
145.10150	2.3
146.06883	12.7
147.07668	11.9
153.06622	1.9
155.08148	3.1
156.04715	1.3
156.05190	1.3
156.06573	18.9
157.07362	1.1
158.02669	2.4
160.00655	3.2
162.02223	3.0
162.05794	1.7
163.11230	1.9
170.08160	9.7
171.07689	4.3
173.09233	54.9
173.12831	5.7
174.10013	1.2
177.03252	5.8
179.04880	4.0
182.06572	4.1
182.12949	1.5
183.11282	2.5
188.03711	1.1
199.07155	6.4
200.07704	1.7
201.08727	44.0
201.12463	1.7
202.05383	33.6
203.06010	1.8
204.06927	1.3
205.06561	1.5
205.12257	1.9
206.08998	4.8
210.01271	4.3
212.07892	3.5
219.07999	84.4
220.08263	1.0
230.08463	1.7
232.05045	2.0
233.05978	1.3
245.09521	1.1
247.11092	14.2
255.08116	1.0
257.10129	7.1
258.08533	1.7
264.02402	1.8
273.09030	4.5
274.10391	10.1
275.11127	53.8
284.03342	4.6
289.07355	2.1
289.51773	0.9
306.07492	5.5
307.09979	4.0
339.05673	5.7
348.12286	12.1
349.12878	1.3
359.14963	1.1
376.21320	1.1
395.16812	1.5
413.07565	2.1
413.21881	2.3
413.75397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	11.8
55.05508	2.0
56.02648	1.0
56.05044	4.8
57.02180	3.4
58.06606	14.0
58.99594	5.0
61.01155	1.0
65.03947	0.8
67.05513	8.8
68.05054	1.2
70.02952	1.3
70.06598	15.0
70.84694	0.7
71.03748	0.9
71.05006	0.9
71.54804	1.2
72.04532	0.9
72.08165	4.4
72.13075	0.9
73.00821	0.9
73.01158	8.4
73.02948	1.0
73.05302	8.1
73.09433	0.8
74.00668	6.9
74.02443	3.3
75.01439	1.6
75.03247	0.9
76.02236	7.0
76.04008	10.3
81.03429	1.6
81.07057	0.8
82.06587	2.7
83.03738	1.0
83.04992	1.1
83.06096	0.9
84.04510	100.0
84.08159	4.6
85.01157	1.1
85.02905	1.6
85.03989	0.8
86.09707	9.6
86.99065	1.7
88.02281	0.9
88.04018	1.0
89.04784	1.0
96.08136	2.3
97.02921	1.0
97.06495	0.9
98.06064	43.2
99.02689	28.0
99.05596	5.9
100.02242	1.9
100.03464	7.7
100.04018	2.5
100.07642	9.5
101.04232	3.6
101.04791	3.1
101.07180	1.5
102.00126	2.7
102.03803	1.2
102.05541	2.7
103.06332	3.1
104.98329	2.3
105.07040	1.2
106.98628	3.4
107.99385	1.0
109.02866	1.1
110.06042	0.9
110.07179	1.8
111.03173	1.9
111.06815	1.0
112.03986	12.8
113.00616	1.2
113.04227	1.2
114.05529	1.0
116.01700	6.3
116.05328	60.2
116.07080	15.7
118.06873	7.9
120.08103	3.0
124.07626	2.0
126.05529	48.3
127.02134	1.2
127.05063	1.0
127.08677	3.3
128.02936	10.3
128.05815	1.9
129.04344	7.4
129.06621	1.5
129.10248	2.0
130.03270	2.4
130.05016	55.2
135.05319	1.1
136.07672	0.8
141.06596	2.2
142.03239	3.5
142.08652	1.2
144.01172	1.5
144.04828	1.8
145.03223	1.7
145.06090	12.3
145.10127	1.0
146.06879	16.7
147.07674	10.5
153.06563	2.0
155.08153	2.6
156.06573	19.2
157.07358	1.3
158.02744	2.2
160.00687	3.3
162.02220	3.1
162.05852	0.9
170.08130	11.7
171.04057	0.9
171.07666	4.3
173.09241	63.2
174.10005	1.0
177.03311	6.1
179.04877	3.7
181.00504	1.0
181.06081	1.2
182.06758	5.2
184.07552	1.0
199.07146	5.5
200.07788	2.9
201.08733	44.4
202.05388	35.4
203.06160	1.5
204.06985	2.4
205.06377	1.8
206.07365	0.8
206.08972	4.5
210.01306	5.7
212.07962	3.3
217.06474	1.1
219.08011	82.1
220.08366	1.3
227.08409	1.0
229.15367	1.1
230.08525	1.2
232.05150	3.2
233.05893	2.0
240.07402	1.0
243.04271	1.6
243.08659	0.8
245.05731	1.0
245.09576	1.1
247.11176	14.7
255.07936	1.0
257.10071	7.3
258.08606	1.4
273.09125	5.2
274.10266	8.5
275.11139	54.2
284.03250	3.7
289.07309	1.2
306.07556	6.2
307.07751	0.9
307.10074	3.8
338.04431	1.7
339.05426	4.5
348.12289	14.4
349.12833	1.7
413.07889	1.9
413.16620	1.3
413.21539	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	11.8
55.05508	2.0
56.02648	1.0
56.05044	4.8
57.02180	3.4
58.06606	14.0
58.99594	5.0
61.01155	1.0
65.03947	0.8
67.05513	8.8
68.05054	1.2
70.02952	1.3
70.06598	15.0
70.84694	0.7
71.03748	0.9
71.05006	0.9
71.54804	1.2
72.04532	0.9
72.08165	4.4
72.13075	0.9
73.00821	0.9
73.01158	8.4
73.02948	1.0
73.05302	8.1
73.09433	0.8
74.00668	6.9
74.02443	3.3
75.01439	1.6
75.03247	0.9
76.02236	7.0
76.04008	10.3
81.03429	1.6
81.07057	0.8
82.06587	2.7
83.03738	1.0
83.04992	1.1
83.06096	0.9
84.04510	100.0
84.08159	4.6
85.01157	1.1
85.02905	1.6
85.03989	0.8
86.09707	9.6
86.99065	1.7
88.02281	0.9
88.04018	1.0
89.04784	1.0
96.08136	2.3
97.02921	1.0
97.06495	0.9
98.06064	43.2
99.02689	28.0
99.05596	5.9
100.02242	1.9
100.03464	7.7
100.04018	2.5
100.07642	9.5
101.04232	3.6
101.04791	3.1
101.07180	1.5
102.00126	2.7
102.03803	1.2
102.05541	2.7
103.06332	3.1
104.98329	2.3
105.07040	1.2
106.98628	3.4
107.99385	1.0
109.02866	1.1
110.06042	0.9
110.07179	1.8
111.03173	1.9
111.06815	1.0
112.03986	12.8
113.00616	1.2
113.04227	1.2
114.05529	1.0
116.01700	6.3
116.05328	60.2
116.07080	15.7
118.06873	7.9
120.08103	3.0
124.07626	2.0
126.05529	48.3
127.02134	1.2
127.05063	1.0
127.08677	3.3
128.02936	10.3
128.05815	1.9
129.04344	7.4
129.06621	1.5
129.10248	2.0
130.03270	2.4
130.05016	55.2
135.05319	1.1
136.07672	0.8
141.06596	2.2
142.03239	3.5
142.08652	1.2
144.01172	1.5
144.04828	1.8
145.03223	1.7
145.06090	12.3
145.10127	1.0
146.06879	16.7
147.07674	10.5
153.06563	2.0
155.08153	2.6
156.06573	19.2
157.07358	1.3
158.02744	2.2
160.00687	3.3
162.02220	3.1
162.05852	0.9
170.08130	11.7
171.04057	0.9
171.07666	4.3
173.09241	63.2
174.10005	1.0
177.03311	6.1
179.04877	3.7
181.00504	1.0
181.06081	1.2
182.06758	5.2
184.07552	1.0
199.07146	5.5
200.07788	2.9
201.08733	44.4
202.05388	35.4
203.06160	1.5
204.06985	2.4
205.06377	1.8
206.07365	0.8
206.08972	4.5
210.01306	5.7
212.07962	3.3
217.06474	1.1
219.08011	82.1
220.08366	1.3
227.08409	1.0
229.15367	1.1
230.08525	1.2
232.05150	3.2
233.05893	2.0
240.07402	1.0
243.04271	1.6
243.08659	0.8
245.05731	1.0
245.09576	1.1
247.11176	14.7
255.07936	1.0
257.10071	7.3
258.08606	1.4
273.09125	5.2
274.10266	8.5
275.11139	54.2
284.03250	3.7
289.07309	1.2
306.07556	6.2
307.07751	0.9
307.10074	3.8
338.04431	1.7
339.05426	4.5
348.12289	14.4
349.12833	1.7
413.07889	1.9
413.16620	1.3
413.21539	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	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01853	3.5
55.05516	5.2
56.05033	6.4
57.03446	9.0
58.06596	2.6
58.99588	2.7
60.04517	2.3
61.01159	3.1
61.02917	1.5
66.92422	1.4
67.05518	2.3
69.03426	4.7
69.07073	11.1
70.02971	1.6
70.06607	15.8
71.01360	1.7
71.05000	70.1
71.55757	1.5
72.08154	11.5
73.01140	6.6
73.02908	2.1
73.38898	1.3
74.00657	11.7
74.02449	1.5
74.06090	2.8
75.04482	5.3
76.02225	5.0
76.04005	5.6
82.06595	1.7
83.04990	9.3
83.06097	2.8
84.04505	33.4
84.08150	23.9
85.02912	100.0
85.04023	4.2
85.06519	1.8
86.00680	1.7
86.09705	17.4
88.03979	1.8
88.95198	1.7
91.05489	2.4
92.05823	1.5
95.05001	1.8
95.08617	2.3
96.08125	2.9
97.01128	2.3
97.02898	3.6
98.01929	2.2
99.02676	6.9
99.04443	2.0
102.00144	5.2
102.05522	1.5
102.96771	3.1
104.05336	2.2
105.97831	16.7
109.02871	2.0
109.06528	1.3
110.07162	6.4
111.04434	7.8
111.08092	2.4
112.04012	2.3
114.03749	5.8
114.62916	1.5
116.01684	3.4
116.05337	12.7
116.07103	5.1
116.94660	1.8
119.04939	2.5
120.08130	7.4
121.06519	2.5
122.02745	1.9
124.07583	2.4
127.03951	4.6
129.05492	38.2
129.06496	2.1
129.10262	9.3
130.05023	9.1
130.99866	5.0
131.04530	10.7
132.00633	2.8
136.07599	15.9
136.95518	3.0
142.03233	2.2
142.08672	2.8
145.04987	5.7
145.06053	2.2
146.06004	1.7
147.06540	22.0
150.04044	2.0
153.09177	3.2
158.54431	1.5
160.00655	5.4
163.06097	2.2
164.09235	5.5
164.98611	19.6
170.08150	10.0
177.03307	11.0
179.99754	9.2
185.03854	1.6
202.05338	2.9
209.00539	5.7
209.91722	1.5
217.06375	6.9
219.08058	6.2
222.09540	1.8
231.04306	3.7
249.03719	3.4
255.08713	2.6
265.99756	4.0
267.11578	9.3
273.09625	2.7
281.15085	1.5
283.02451	10.7
284.04126	3.5
309.11896	2.7
337.03433	2.7
412.06671	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
57.03428	2.2
58.99593	11.7
61.01156	44.6
65.00220	0.9
67.05515	1.9
69.03435	10.7
69.07059	3.7
70.06596	5.0
70.99586	7.9
71.07504	1.3
71.07858	2.0
72.00362	7.4
72.08176	1.5
73.01149	19.5
77.70933	1.1
79.05486	3.5
81.07044	2.9
83.04963	1.2
84.08140	2.9
85.01114	1.2
85.02927	13.0
86.09707	2.0
93.03737	1.8
93.07065	1.3
95.01331	16.8
95.04980	3.6
97.06528	3.9
100.11253	1.8
101.04253	2.1
103.03970	1.0
104.98327	44.6
105.07082	1.2
106.99886	1.5
111.02671	1.7
112.03436	2.4
113.02374	1.1
113.04224	7.5
115.02123	1.3
119.08580	1.5
125.00928	80.9
125.06004	13.2
126.01198	1.1
127.02130	1.8
127.03904	1.4
129.03688	3.4
134.12090	1.1
143.07184	1.1
144.00560	1.1
153.05473	8.8
157.10095	1.3
159.11658	1.4
161.00945	1.4
165.03999	2.2
180.99490	1.5
193.82591	1.1
196.99609	3.3
197.01253	100.0
208.06256	1.2
213.02132	1.6
215.05452	5.9
231.03220	2.0
251.17685	1.2
302.45499	1.1
322.42719	1.1
411.06042	2.1
411.28864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26147	1.6
55.01904	2.2
55.05510	2.0
56.05037	16.2
57.03452	2.1
58.06602	17.1
58.16026	2.0
60.00544	1.5
60.04518	9.7
69.04562	4.4
70.06596	9.8
70.68675	4.8
71.44842	1.6
72.04522	1.8
72.08171	8.4
72.66948	1.6
73.01131	1.6
73.08482	1.8
74.06084	100.0
74.33826	1.5
84.04517	14.9
84.08139	7.6
85.02929	3.2
86.09715	5.6
90.76986	1.8
91.05482	4.9
98.06017	1.9
99.05591	14.2
99.09195	2.3
107.05000	1.5
110.07152	4.0
116.07090	6.4
117.06635	3.9
120.08112	62.8
125.07131	7.4
125.82398	1.6
127.05060	5.7
129.10254	5.1
136.05144	1.8
136.06128	3.6
136.07614	4.0
137.07135	1.9
143.08205	2.4
144.08070	1.8
145.03169	5.0
146.09605	2.5
158.09669	2.5
161.09273	3.0
166.08644	38.0
171.07628	4.8
177.05547	2.3
182.09270	4.5
189.08777	2.8
192.10252	2.5
195.59801	1.6
200.10310	2.5
203.11815	5.6
206.08057	2.3
228.09828	20.8
246.10983	2.0
249.12375	54.4
267.13428	20.7
291.10153	2.4
318.14648	3.2
375.16632	4.8
393.17728	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
56.05027	2.6
58.06591	2.2
58.99573	2.7
59.06118	1.6
60.87470	0.8
61.01134	1.5
69.02027	0.9
69.80409	5.2
70.06589	3.6
70.99583	1.1
72.00372	0.9
72.08157	1.6
73.01147	36.4
73.05300	1.1
73.13911	0.8
74.00660	2.9
75.01451	1.0
76.02221	2.2
76.04014	4.8
78.96783	2.4
84.04512	33.4
84.08159	6.8
85.04033	24.7
86.09190	0.8
86.09701	3.1
88.95201	3.2
98.06070	1.0
99.02702	1.8
99.05581	5.8
102.96758	4.2
103.96854	1.4
103.97537	16.6
104.98299	2.7
105.97844	100.0
106.98627	8.9
107.99420	3.4
110.07138	1.5
113.03501	9.8
114.03795	1.1
116.05354	1.4
116.07077	2.9
120.08101	1.5
126.05531	1.1
127.05056	1.6
129.10220	1.5
130.05009	15.7
131.04530	50.6
136.53110	0.9
136.95490	41.7
143.04533	5.0
145.06082	9.6
153.06567	2.5
154.05020	0.9
155.08153	1.3
156.06564	2.5
162.02316	1.3
162.97073	3.3
173.09230	2.0
177.03323	3.9
179.99722	22.1
181.06126	1.5
182.15277	1.0
190.96565	1.0
197.61746	1.2
199.07184	5.6
209.00510	29.9
209.02469	1.8
210.01274	8.4
219.08070	1.1
243.04347	5.0
264.02362	3.7
265.99780	7.2
274.10300	1.8
283.02414	35.2
337.03540	7.1
339.05524	13.7
349.03403	1.7
400.79138	0.9
412.06393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.8
55.05496	1.5
56.05023	6.2
56.32886	1.4
58.06593	6.3
60.04514	3.8
60.71461	1.5
61.01139	5.4
67.82603	1.7
68.05016	2.9
68.57877	1.5
69.03416	2.0
69.07066	5.6
69.29590	14.5
70.06598	20.5
72.08146	6.2
73.06171	2.6
73.06556	42.2
74.00275	2.4
74.00665	27.8
76.03991	6.1
81.07042	2.3
83.07426	1.6
84.04507	96.6
84.08141	24.9
85.02883	3.1
85.04025	11.2
85.08450	2.9
86.09707	20.3
90.96772	1.8
92.01702	4.5
96.08128	23.3
103.05475	1.7
103.39315	1.6
104.98322	11.9
105.97852	1.8
107.99403	36.3
110.06057	4.2
110.07156	5.9
112.03965	13.5
113.03480	3.7
116.07069	4.8
120.08104	13.0
124.07600	20.6
126.09147	3.8
129.06561	2.4
129.10225	10.0
130.05006	76.7
130.99841	2.2
131.04507	10.1
136.07596	3.5
142.08641	14.2
143.05693	1.7
144.08073	1.7
147.07693	1.6
148.02515	15.6
156.06528	4.2
156.07671	2.8
160.00641	3.3
170.08125	100.0
174.00430	9.2
174.40488	1.5
177.01810	2.7
177.03305	43.1
179.58850	1.5
179.99663	2.9
181.06075	4.0
185.03830	3.7
188.01955	4.6
201.99937	3.9
211.02066	54.9
213.12363	9.9
222.03906	2.1
228.13478	1.7
231.04356	2.5
232.13245	4.3
234.02498	2.9
235.12022	1.7
251.02525	2.3
251.05168	42.1
265.03149	4.9
288.06430	1.9
305.06268	18.8
306.07547	3.8
316.63895	1.7
323.03763	7.5
323.14383	2.9
340.06360	12.4
380.09500	35.1
381.10306	1.7
400.91611	1.8
412.20084	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	411.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74125	6.4
61.01142	29.9
65.77893	6.6
69.03432	41.2
69.07073	7.6
69.39254	50.5
73.01152	39.2
79.76173	6.6
85.02923	49.5
94.67292	6.1
95.01334	61.4
97.06529	13.8
98.20670	13.4
104.98307	19.3
106.99905	7.8
108.82774	6.7
113.04234	13.2
115.07243	6.7
125.00903	38.1
125.05983	56.4
147.03029	9.0
153.05508	61.1
196.99510	11.4
197.01236	63.1
212.30423	7.0
215.05493	100.0
255.08652	21.5
289.01230	8.2
340.58334	7.7
355.25800	8.9
387.43109	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	411.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.0
58.99587	12.1
61.01159	48.9
69.03436	25.8
70.70364	3.4
70.70699	5.3
70.99585	7.5
72.00355	7.0
73.01139	27.0
85.02911	21.7
93.03764	3.0
95.01331	41.5
95.04967	5.7
97.06535	6.6
104.98331	43.4
106.99899	4.0
111.02621	3.3
113.04233	6.4
113.88527	2.6
123.04494	3.1
125.00926	72.5
125.06016	33.0
135.92418	2.9
151.03886	2.9
153.05482	34.1
187.06096	2.8
196.99429	4.9
197.01257	100.0
197.04480	7.3
215.05511	41.5
293.34879	2.7
372.24414	2.7
411.06174	3.6
437.70413	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	411.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97308	4.4
58.45206	3.6
59.95007	4.8
62.74157	4.1
67.05518	4.1
69.03440	38.3
69.07069	5.8
69.93156	14.2
69.93570	9.1
70.06585	18.4
73.01142	20.9
79.05499	6.5
84.08141	7.2
85.02906	33.7
86.09695	5.9
93.07027	5.7
95.01334	67.2
97.06529	6.2
98.20777	5.7
104.98338	4.9
110.07128	4.6
111.99570	12.6
112.03467	6.1
113.04232	29.0
115.03833	8.0
125.06009	50.7
125.09502	4.3
129.10277	4.3
129.29973	4.5
153.05475	56.0
167.07008	4.6
182.99094	44.1
183.99886	9.6
185.00667	88.7
194.99594	5.6
196.99277	24.7
197.01093	6.5
215.05533	90.6
227.09192	4.7
246.99008	12.6
249.00278	5.1
255.08643	28.3
273.00525	10.3
304.64981	5.2
321.00833	100.0
322.01273	5.6
411.02115	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82280	4.4
57.03434	5.7
58.99587	7.0
61.01159	27.4
63.00737	6.8
69.03433	31.3
69.07055	7.6
69.67564	25.3
73.01134	33.5
79.05497	5.6
85.02914	32.4
90.01398	11.0
95.01342	51.6
95.05000	9.9
97.02922	5.8
104.98331	18.1
106.97884	16.8
106.99883	9.0
111.02701	5.5
113.02345	5.1
113.04231	7.0
118.97076	6.3
122.99344	32.5
123.04441	7.8
124.98924	38.2
125.06005	54.7
127.03925	5.6
138.66621	4.5
143.07007	4.9
151.03906	6.4
153.05460	47.4
194.99844	5.3
196.99278	57.0
197.01283	21.2
197.04469	16.9
215.05528	100.0
224.16341	4.7
312.99570	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	411.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10136	1.8
55.05495	2.2
58.99585	3.0
61.01146	3.7
67.05467	2.3
69.03430	6.7
69.07071	2.2
70.06580	5.3
71.16425	2.7
71.16764	3.0
72.08131	2.1
72.45956	1.6
73.01123	5.5
79.05501	4.6
81.07059	2.4
84.08134	2.8
85.02897	6.7
86.09684	2.5
95.01341	9.6
95.04958	2.8
95.08582	2.0
97.06516	4.0
100.11256	2.4
104.98299	6.1
111.02651	4.2
111.99592	14.2
112.03431	3.1
113.04267	9.1
119.30853	1.6
122.99357	3.8
124.98947	4.3
125.05985	9.3
142.99866	1.9
145.01463	2.8
153.05479	6.8
163.56383	1.8
169.02977	4.6
182.99123	43.7
183.99896	8.1
184.13251	3.7
185.00674	100.0
185.63203	1.7
196.99275	11.5
197.01114	3.7
197.04431	2.3
201.00124	2.1
203.01726	5.3
215.05492	12.6
226.03336	2.7
233.00952	2.8
241.03233	2.0
246.98956	10.6
257.01007	10.0
273.00522	18.7
273.70142	1.7
286.31812	1.9
321.00842	100.0
322.01517	7.6
347.02493	3.2
411.02185	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	410.1927
Annotation	Tyr Asp Ile
Peak:m/z	Relative Intensity
55.05509	0.9
56.05026	1.4
60.04516	1.6
60.60596	0.5
61.67341	0.5
64.43290	0.4
65.03947	0.5
69.07065	1.6
69.63269	2.2
69.63676	0.9
70.02954	1.2
70.06597	6.8
72.08160	5.6
73.08463	0.7
74.06084	0.7
74.09707	0.5
84.04516	2.5
84.08142	4.8
85.02899	0.7
85.04047	3.1
86.09711	24.3
87.05600	1.0
87.10023	0.9
88.03996	4.8
91.05489	24.3
92.05872	0.5
95.06060	0.6
102.05526	0.6
104.98328	0.4
107.04968	2.2
109.06518	0.6
110.02402	0.6
110.07168	1.8
112.08749	0.6
114.09182	1.1
116.07073	0.7
116.14516	0.5
118.06543	0.9
119.04955	16.1
120.08083	2.8
121.06548	0.8
121.08465	1.1
126.09124	0.5
129.10237	4.0
132.10216	7.0
135.06827	1.8
136.07588	100.0
137.07962	1.0
141.10245	1.9
142.57462	0.4
145.02911	0.5
146.06023	5.0
147.04431	1.5
159.11331	3.9
160.07576	2.9
160.11650	1.7
162.09102	1.3
164.07083	0.9
166.08626	3.4
173.12872	0.9
177.05507	1.0
183.11314	0.7
187.10777	2.1
188.07071	2.5
191.08211	1.4
201.12320	2.8
206.08093	2.5
207.11368	3.2
212.09187	1.1
223.10931	0.9
224.11201	1.5
229.11925	1.0
233.09229	9.0
234.07568	0.6
245.13210	0.8
247.12958	8.1
251.10291	26.1
252.10666	0.8
279.09784	18.1
280.10303	0.7
346.17581	0.6
349.55548	0.4
410.18765	1.4
411.19931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.05026	1.4
60.04516	1.6
60.60596	0.5
61.67341	0.5
64.43290	0.4
65.03947	0.5
69.07065	1.6
69.63269	2.2
69.63676	0.9
70.02954	1.2
70.06597	6.8
72.08160	5.6
73.08463	0.7
74.06084	0.7
74.09707	0.5
84.04516	2.5
84.08142	4.8
85.02899	0.7
85.04047	3.1
86.09711	24.3
87.05600	1.0
87.10023	0.9
88.03996	4.8
91.05489	24.3
92.05872	0.5
95.06060	0.6
102.05526	0.6
104.98328	0.4
107.04968	2.2
109.06518	0.6
110.02402	0.6
110.07168	1.8
112.08749	0.6
114.09182	1.1
116.07073	0.7
116.14516	0.5
118.06543	0.9
119.04955	16.1
120.08083	2.8
121.06548	0.8
121.08465	1.1
126.09124	0.5
129.10237	4.0
132.10216	7.0
135.06827	1.8
136.07588	100.0
137.07962	1.0
141.10245	1.9
142.57462	0.4
145.02911	0.5
146.06023	5.0
147.04431	1.5
159.11331	3.9
160.07576	2.9
160.11650	1.7
162.09102	1.3
164.07083	0.9
166.08626	3.4
173.12872	0.9
177.05507	1.0
183.11314	0.7
187.10777	2.1
188.07071	2.5
191.08211	1.4
201.12320	2.8
206.08093	2.5
207.11368	3.2
212.09187	1.1
223.10931	0.9
224.11201	1.5
229.11925	1.0
233.09229	9.0
234.07568	0.6
245.13210	0.8
247.12958	8.1
251.10291	26.1
252.10666	0.8
279.09784	18.1
280.10303	0.7
346.17581	0.6
349.55548	0.4
410.18765	1.4
411.19931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.5
57.07081	9.6
57.35238	7.9
67.05505	30.6
69.07051	30.4
71.05009	15.7
71.08630	14.9
71.17280	17.7
79.05506	32.8
79.86461	7.7
81.07065	91.1
83.08646	12.3
89.06052	18.4
91.05486	26.5
93.07059	100.0
95.08623	94.7
105.07040	60.5
107.08617	69.0
107.55428	8.9
109.10153	57.8
111.08102	11.0
113.09636	9.1
119.08593	68.9
121.10163	58.8
122.09244	8.9
123.11745	38.2
125.34359	10.9
131.08591	16.9
133.10147	36.9
135.11693	35.1
137.13255	15.7
143.08624	7.7
145.10139	26.9
147.11707	30.6
149.13286	55.7
157.10133	9.6
159.11711	35.8
161.13261	31.7
163.14830	22.5
173.13231	20.9
175.14827	28.8
187.14859	13.6
189.16402	23.5
191.17967	11.2
195.12256	17.6
199.14703	8.6
201.16423	11.4
213.16423	11.0
217.19568	34.9
218.85966	8.8
229.19371	12.0
231.21031	18.6
255.21246	8.8
259.24365	10.6
391.33569	16.5
409.34775	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.3
55.05507	18.7
57.07077	9.2
59.04992	3.9
66.17869	3.1
67.05489	21.6
69.03426	6.6
69.07077	10.6
70.16216	15.3
70.38108	3.4
79.05502	22.4
81.07070	34.8
83.04996	6.0
91.05492	47.6
93.07052	43.0
95.04981	41.5
95.08614	31.3
97.06522	11.1
103.05463	3.4
105.07040	100.0
107.08605	30.2
109.06520	13.9
109.10184	12.8
115.05507	4.8
117.07041	16.1
119.08595	65.0
121.06512	15.4
121.10143	15.0
123.08087	20.9
128.06290	6.2
129.07036	10.4
130.07835	7.1
131.08591	24.0
133.06538	6.6
133.10139	27.5
135.08073	11.1
135.11664	4.4
137.09641	9.2
141.07001	5.1
142.07774	11.3
143.08559	15.9
144.09407	5.7
145.10149	36.0
147.08072	17.9
147.11693	38.8
149.09618	11.5
151.07550	18.3
153.07001	4.8
155.08586	10.7
156.09290	5.6
157.10152	23.6
159.08102	5.9
159.11731	19.4
161.09612	12.2
161.13211	4.8
163.11195	5.4
165.09126	30.3
169.10132	17.1
171.11711	11.5
173.09697	5.1
173.13330	8.9
175.11224	24.3
181.10091	7.5
183.11719	13.8
185.13202	7.0
187.11230	4.2
189.12833	4.6
193.10191	4.3
197.13441	5.0
199.11189	4.1
201.12762	7.5
203.14352	13.3
207.11938	5.3
207.13806	5.7
209.13318	6.5
211.14851	8.2
219.13829	8.7
221.15375	66.5
223.14781	5.0
225.12718	4.0
229.15874	5.4
231.13905	3.6
234.16158	14.4
262.68112	3.9
287.20117	9.2
300.20892	7.1
329.20947	6.6
391.26303	6.1
393.09866	7.6
394.10452	6.3
406.11209	4.2
407.11377	9.4
408.11966	13.1
409.13077	90.1
409.27420	42.4
410.13623	29.0
427.13925	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	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01874	2.6
55.05515	20.1
57.07069	5.6
59.04990	3.8
67.05519	14.9
69.03419	4.8
69.07060	7.0
69.59493	4.9
69.59904	7.2
79.05507	18.8
81.03412	2.7
81.07073	25.7
83.04978	4.3
85.06540	3.3
91.05495	35.1
93.07056	46.3
95.04980	48.8
95.08614	20.3
97.06535	7.5
103.05491	3.3
105.04494	3.1
105.07040	100.0
107.08595	26.6
109.06533	9.6
109.10168	6.3
115.05441	2.4
116.06226	2.9
117.07018	13.8
119.04910	3.1
119.08590	62.1
121.06519	19.4
121.10145	14.5
123.08096	12.3
128.06203	2.3
129.06982	6.6
130.07793	6.6
131.08585	20.7
132.09341	3.3
133.06491	5.1
133.10138	17.4
135.08076	11.8
135.11743	3.9
137.09627	7.7
141.06993	4.7
142.07822	10.3
143.08603	12.2
143.09506	2.3
144.09380	4.2
145.06468	2.2
145.10143	35.4
147.08070	11.3
147.11688	43.3
149.08524	1.9
149.09618	10.9
151.07515	14.6
151.77760	2.2
153.06972	1.8
155.08586	7.9
156.09367	3.9
157.10153	18.5
159.08035	5.5
159.11714	12.7
161.09636	7.0
161.13237	2.5
163.11176	4.7
165.09125	35.5
167.08588	3.2
168.09338	2.3
169.10117	6.8
170.10945	2.2
171.11745	4.9
173.09590	6.1
173.13281	5.8
175.11221	29.9
177.09088	5.3
181.10110	5.5
181.12334	2.7
183.11684	10.7
185.13266	3.6
187.11205	4.4
189.12787	3.8
193.10210	2.5
194.10867	2.2
195.11731	2.4
197.13193	2.7
199.11107	4.3
199.14833	2.3
201.12732	10.5
203.14322	14.1
207.11778	2.6
207.13797	6.4
209.13341	2.4
209.15344	2.8
211.11293	2.5
211.14848	4.7
215.10686	1.8
215.14288	4.0
219.13805	5.8
221.15373	63.3
222.15639	2.5
224.46239	1.8
228.51709	2.1
229.15909	5.3
231.13817	3.9
233.15410	4.0
234.16158	15.2
267.70667	2.2
281.18933	2.1
286.19388	3.9
287.19998	5.4
300.20786	4.7
302.37241	2.6
329.21115	5.6
391.26196	4.7
409.27414	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.22269	2.1
50.84248	1.6
53.03939	3.7
55.01855	2.7
55.05519	18.8
57.03432	3.1
57.07066	7.9
59.04997	3.5
65.03940	1.9
67.05505	23.6
69.03432	8.5
69.07055	8.0
69.37613	14.7
73.25332	1.7
77.03880	1.9
79.05499	24.4
81.07056	31.0
83.04976	6.1
83.08621	3.8
85.06524	3.4
89.06020	5.8
91.05481	45.4
93.07051	47.2
95.04972	48.6
95.08609	31.6
97.06531	12.4
103.01297	1.6
103.05451	3.6
105.07034	100.0
107.04921	2.7
107.08604	24.7
108.05756	2.1
109.06517	15.3
109.10169	22.9
111.08053	4.2
115.05444	3.9
117.07029	18.5
119.04958	2.2
119.08585	70.6
121.06534	19.7
121.10136	18.5
123.08081	22.1
128.06227	8.0
129.07018	7.8
130.07773	4.4
131.08578	29.2
132.09387	2.4
133.06471	5.4
133.08582	2.3
133.10146	23.0
135.08076	15.3
135.11696	4.0
137.09615	11.2
139.26527	1.8
141.06972	7.5
142.07808	10.8
143.08565	19.1
144.09366	3.9
145.06480	4.0
145.10133	40.4
147.08060	17.1
147.10638	3.2
147.11700	34.0
149.09613	15.3
149.13115	3.0
151.07547	23.4
153.07028	3.8
154.07767	3.5
155.08565	10.9
156.09338	6.5
157.10156	25.8
158.07230	2.3
158.10881	3.7
159.08086	6.1
159.11717	16.4
161.09598	9.6
161.13287	6.1
163.11203	6.9
165.09116	37.9
167.08617	4.9
168.09354	5.8
169.10132	17.6
170.10841	2.5
171.11694	9.2
172.08859	2.2
173.09581	6.1
173.13235	7.6
175.11183	20.3
175.14911	2.7
177.09132	3.4
179.08577	2.4
181.10092	5.0
181.12199	4.1
182.10864	3.0
183.11717	14.4
185.09619	2.4
185.13219	7.1
187.11229	6.8
187.14833	4.2
189.12804	6.9
191.10587	1.7
191.14156	1.6
194.10832	2.0
195.11732	4.8
196.12453	2.9
197.13280	6.7
199.11142	3.4
201.12750	11.4
201.16452	3.0
201.27261	1.7
203.14357	14.4
207.11971	2.5
207.13795	7.4
208.12573	2.2
209.13287	4.6
209.15182	2.8
211.14816	9.3
213.12808	2.5
215.14284	3.3
219.13835	5.3
221.13416	3.6
221.15363	68.6
221.63582	1.9
223.14857	4.3
225.16400	2.8
227.14372	3.3
229.15944	6.8
231.13728	3.7
234.16170	14.1
235.14722	2.8
239.14626	2.6
247.16949	1.9
249.16360	2.0
267.17258	2.3
271.16962	2.0
285.18460	2.2
286.19403	4.9
287.20059	9.3
299.20053	2.4
300.20770	3.7
329.21057	4.3
352.73553	1.9
353.21317	2.3
383.73419	1.8
391.26218	6.8
409.27368	60.4
410.27469	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99760	2.8
55.01861	3.3
55.05519	16.1
57.07082	6.7
59.04990	3.6
65.03917	4.9
67.05506	20.1
68.86391	2.7
69.03405	6.4
69.07070	10.1
70.65140	9.5
71.04971	2.9
76.25392	2.8
79.05499	13.8
81.07063	35.0
83.05000	5.0
83.08601	4.3
85.06542	3.4
91.05488	32.9
93.07047	43.2
95.04978	45.2
95.08617	23.1
97.06528	7.0
103.05432	5.6
105.07043	100.0
107.08601	23.3
109.06522	10.3
109.10165	7.8
110.16288	3.1
117.07009	11.1
119.08595	59.6
120.09337	3.1
121.06500	15.0
121.10117	16.0
123.08045	18.0
128.06261	6.5
129.07007	7.8
130.07784	3.5
131.08624	23.2
133.06496	7.6
133.10155	20.5
135.08055	14.2
135.11650	3.5
137.09604	10.0
141.06960	4.7
142.07776	10.8
143.08546	17.2
145.10152	39.2
147.08066	24.4
147.11700	36.1
149.09602	13.7
151.07555	25.3
155.08577	4.1
156.09454	3.5
157.10164	23.2
159.08052	5.5
159.11693	12.4
161.09619	8.4
161.13248	6.3
163.11241	6.7
165.06847	3.4
165.09105	33.2
168.09351	5.0
169.10106	11.1
171.11862	6.2
172.12271	3.5
173.09639	6.6
173.13281	8.2
175.11201	27.1
181.10107	5.5
183.11674	12.2
185.13341	4.5
187.14845	3.0
189.12766	4.2
195.11771	6.3
197.13292	6.2
201.12738	10.0
203.14331	15.5
207.13771	7.9
219.13805	4.0
221.13400	3.9
221.15375	64.5
233.15469	3.8
234.16229	14.4
286.19131	4.2
287.20114	6.8
300.20706	8.2
304.48230	3.5
388.90073	3.3
391.26126	5.5
409.27393	43.9
426.58679	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84696	1.3
53.03951	5.3
55.01876	2.7
55.05521	19.9
55.32114	1.2
55.86053	1.3
57.07078	6.7
59.05004	4.4
63.37930	1.3
65.03942	2.6
67.05514	16.5
69.03436	8.7
69.07089	8.7
70.43105	5.4
72.51726	1.4
79.05495	16.7
81.07072	29.9
83.04977	3.2
83.08658	1.8
85.06545	3.1
90.15339	1.2
91.05492	34.7
93.07054	37.7
95.04980	50.6
95.08618	24.5
97.06541	7.7
103.05500	4.4
105.07042	100.0
106.07877	1.5
107.08601	22.1
108.08936	3.1
109.06537	12.3
109.10172	7.3
111.08077	2.6
115.05491	3.9
117.07032	12.1
119.04989	3.1
119.08594	65.7
121.06527	14.0
121.10161	14.1
123.08082	14.2
125.06020	1.9
126.69251	1.5
128.06226	3.8
129.07013	7.5
130.07809	5.1
131.08594	21.4
132.09380	2.9
133.06503	4.8
133.10130	14.5
135.08090	11.6
135.11676	2.7
137.05963	2.1
137.09608	9.1
141.06984	2.6
142.07845	10.2
143.08575	14.5
144.09348	2.1
145.06549	2.7
145.10138	34.8
146.10841	2.2
147.08047	18.8
147.11705	39.0
149.09596	13.7
149.10553	1.5
150.10295	1.6
151.07552	16.8
153.06960	1.6
153.09122	1.8
155.08533	7.5
156.09349	4.1
157.10153	16.7
158.10933	1.7
159.08102	3.5
159.11726	11.7
160.08846	2.3
161.09650	7.8
161.13300	4.1
163.11212	5.5
165.07071	1.9
165.09137	32.0
167.08617	3.7
168.09393	2.9
169.10168	7.2
170.10927	3.0
171.11688	8.6
173.09605	5.8
173.13283	6.1
174.10445	2.3
175.11203	25.8
177.09114	4.5
178.09959	3.0
179.08603	1.6
180.19556	1.4
181.10182	4.3
181.12253	1.9
182.10890	2.2
183.11777	8.7
185.13290	5.9
187.11229	3.5
187.14922	2.0
189.12822	5.3
191.14232	3.0
193.10138	2.1
195.11627	3.6
196.12439	1.8
197.13310	3.6
199.11195	3.0
199.14870	2.5
200.74071	1.5
201.12759	8.2
201.16464	2.1
203.14365	13.0
207.11914	3.0
207.13863	7.0
208.12523	1.8
209.13263	3.7
209.15321	2.9
211.14854	5.7
213.12946	2.3
215.14322	2.0
216.15254	2.2
219.13902	5.8
221.13361	2.6
221.15375	54.7
222.15669	2.3
223.14807	2.3
229.15948	4.2
231.13870	2.4
233.15410	2.2
234.16127	16.7
243.13994	1.5
253.15988	1.8
269.19128	2.0
286.19391	2.3
287.20041	7.2
299.20129	2.0
300.20886	5.4
325.21689	2.0
329.21063	4.7
391.26291	4.1
409.27371	34.1
409.32281	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	409.2198
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
63.63645	0.9
67.05511	1.0
69.03441	0.9
69.07060	1.1
70.06576	1.5
70.74195	2.6
73.01128	1.6
81.07040	1.7
84.08117	1.6
86.09699	1.9
104.98307	2.5
113.04229	2.0
127.03924	1.2
265.42239	0.9
307.42670	1.0
329.83197	0.8
409.21976	100.0
410.22275	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.7
58.99582	7.7
61.01146	12.9
67.05497	7.7
69.07056	14.9
71.55575	5.0
71.56035	6.7
73.01151	26.2
73.07710	4.5
79.05503	9.0
80.67365	5.3
81.07033	9.3
83.08601	16.1
83.65533	5.0
87.02678	12.7
89.04232	17.8
93.07047	5.5
95.08585	6.0
95.56477	4.2
97.06535	5.5
99.02668	7.5
101.04241	7.9
104.98315	55.1
110.93947	6.2
111.02670	13.7
112.03422	5.4
113.04234	72.0
114.05055	5.1
115.03790	7.4
115.05782	13.6
116.98286	10.7
118.99840	22.0
121.10068	4.1
129.03685	14.8
129.10289	4.5
133.10091	5.1
145.01421	16.4
147.02986	88.2
149.02457	6.7
163.03856	4.3
171.38419	4.5
179.00192	100.0
180.99767	7.5
209.39990	4.9
212.72823	5.0
409.25916	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.0
56.05017	1.4
58.21711	0.7
60.04530	18.3
62.85336	0.6
69.07072	1.8
70.06593	9.4
71.54688	1.4
72.08160	58.8
74.00647	0.9
74.06058	0.8
76.52151	0.7
79.05515	0.8
83.06082	0.9
84.04535	3.3
84.08157	9.9
86.09714	16.7
87.05598	13.8
87.10032	1.3
88.03986	2.2
91.05488	3.1
94.06557	1.7
96.08127	2.4
102.05614	0.7
103.05457	1.8
110.07214	1.6
114.08398	1.3
114.09177	20.0
115.08752	0.7
119.04929	2.0
120.08116	46.1
121.08496	1.3
129.10254	7.8
132.10219	1.8
136.07578	10.5
141.10248	0.9
146.06035	1.0
149.06073	1.0
159.11301	100.0
160.11604	1.5
166.08658	23.7
171.91974	0.7
177.10268	12.2
187.05061	1.5
187.10788	27.7
205.09737	1.0
215.08073	1.6
223.10791	32.4
229.06073	0.9
233.09242	1.3
239.08244	1.2
243.07637	2.1
244.12973	6.4
247.05779	2.8
251.10332	2.6
261.08591	0.8
269.08890	0.8
271.07104	0.9
279.09766	1.8
285.08719	3.1
289.08170	2.6
303.09909	1.2
313.08130	3.6
331.09274	5.7
332.15866	1.8
333.10736	1.7
349.10464	4.6
359.08710	2.2
377.09958	1.5
391.11368	2.9
391.19672	1.2
409.12064	2.8
409.18314	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	409.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.5
58.99595	9.7
61.01156	41.2
67.05502	1.3
69.03439	13.2
69.07076	1.7
69.81686	4.9
70.99576	5.6
72.00364	6.2
73.01144	6.9
75.88123	0.9
79.05495	5.1
81.07076	1.7
84.61579	1.0
85.02910	10.5
89.00618	6.2
90.01409	16.9
91.02238	1.0
95.01341	18.2
95.04964	3.3
95.05496	0.8
97.01145	1.0
97.06529	2.6
99.02702	1.5
101.00642	0.9
104.98328	52.4
107.04964	1.3
111.02670	3.6
112.03453	2.5
113.02400	1.1
113.04221	6.6
115.02177	1.5
122.99362	100.0
123.04430	1.9
125.06005	12.3
127.02149	2.5
130.04507	1.1
131.01633	2.7
135.04460	1.0
137.05978	1.3
139.02148	2.4
141.03722	1.6
142.99886	1.6
143.01672	1.3
143.07178	0.8
144.00705	2.4
145.01442	2.6
151.03954	3.7
153.05481	11.2
172.91508	0.9
177.05460	1.3
180.99532	1.1
182.99460	1.3
190.82126	1.0
194.99692	90.8
197.04524	1.0
215.05516	4.8
223.83890	0.9
231.03270	2.2
319.03036	2.7
371.32111	0.9
409.04681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
54.99312	8.8
55.05506	29.2
65.04011	7.9
67.05502	34.3
68.48614	8.3
69.03432	26.5
69.07063	22.0
69.37113	6.9
70.07497	36.4
73.18050	8.3
78.04700	11.9
79.05478	42.7
80.06284	10.9
81.07056	48.9
82.04208	14.6
83.04975	33.7
83.08625	14.7
91.05480	100.0
93.07055	83.7
95.04980	76.5
95.08616	36.9
97.06532	20.9
105.07042	96.2
106.07841	14.2
107.08592	78.1
108.05779	8.7
109.06519	29.9
109.10175	30.9
114.86532	8.0
115.05456	11.4
117.07027	55.8
119.04979	8.6
119.08577	59.5
121.06512	47.1
121.10157	62.1
122.07278	9.3
123.08034	14.4
123.11736	9.4
125.09635	27.0
128.06233	15.4
129.07016	31.5
130.07755	12.1
131.08580	78.2
132.09370	10.1
133.06499	27.7
133.10127	18.2
135.08052	19.8
135.11711	10.3
137.09648	9.3
141.07014	13.3
142.07779	24.6
143.08582	46.9
144.09286	13.7
145.06537	40.3
145.10161	82.6
147.08038	49.2
147.11681	18.0
149.09622	26.7
153.06989	7.7
155.08582	24.6
155.10651	8.0
156.09306	19.2
157.10168	50.3
158.11011	8.3
159.08066	84.5
159.11725	38.6
161.09641	34.1
161.13318	8.1
163.11189	7.8
165.07018	11.3
167.08572	13.9
167.10684	82.2
168.09233	8.4
169.10112	16.0
171.08055	16.0
171.11752	20.9
172.08884	21.5
173.09567	19.1
173.13303	15.9
175.11227	17.6
181.10080	17.5
183.11687	19.4
184.08817	11.2
185.09669	21.4
185.13321	12.6
186.10426	9.4
187.11195	24.9
193.10173	18.5
194.10974	8.2
195.11650	10.7
197.09615	20.8
197.13326	12.7
198.10387	11.7
199.11232	11.6
205.12198	10.1
207.11716	17.4
209.09636	8.8
209.13269	14.0
209.15414	8.8
211.11185	18.7
211.14832	7.5
213.12779	20.2
215.14351	14.6
218.16653	7.9
220.14598	33.2
221.13257	10.5
221.15285	10.7
223.14729	9.6
225.12749	9.0
226.13358	8.7
227.14333	8.4
233.15462	47.4
235.16986	9.5
237.12857	8.0
246.16151	29.7
249.12630	8.1
273.18500	10.4
285.18536	83.6
286.19086	18.4
299.20056	15.9
304.00128	7.6
311.20074	9.7
328.20370	33.4
335.20151	12.9
351.23203	14.3
351.57123	9.4
368.32709	8.1
374.37985	8.7
393.23907	8.8
408.26462	23.8
412.42035	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	407.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.03437	5.4
57.07079	7.8
59.34132	0.4
59.61415	0.4
67.05497	2.8
69.07072	1.1
70.81671	1.0
71.08639	3.8
74.75745	0.5
81.07072	2.6
83.08630	1.8
85.10187	2.3
95.08618	4.2
97.10186	0.9
109.10151	1.6
113.00023	97.0
120.00652	0.5
123.11679	0.6
139.01509	0.5
144.06673	0.4
151.01535	0.7
154.02693	0.6
169.02621	100.0
196.67680	0.4
221.54164	0.4
226.04362	0.4
239.23665	0.8
241.77530	0.5
259.37646	0.5
341.27295	0.4
380.19025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3159
Annotation	Irisoquin
Peak:m/z	Relative Intensity
53.03948	1.5
55.01865	1.5
55.05270	0.8
55.05519	12.5
57.03447	7.5
57.07081	6.8
59.04998	0.8
65.03948	0.9
67.05175	0.9
67.05512	12.7
67.39350	0.4
69.07074	16.8
71.05007	2.1
71.08279	0.6
71.08638	6.9
71.55932	0.6
75.69555	0.4
76.02469	0.5
79.05497	9.4
81.07065	20.8
83.04979	1.8
83.08629	9.2
85.06561	3.0
85.10199	1.3
89.06045	1.7
91.05493	5.2
93.07053	13.9
95.04988	2.3
95.08615	18.2
95.09223	0.7
97.06542	4.5
97.10180	2.9
99.08099	2.6
105.07037	7.8
107.08604	21.9
109.06532	10.8
109.10168	9.6
111.08099	4.6
113.04247	0.9
117.07007	1.3
118.94590	0.4
119.07792	0.7
119.08592	9.7
121.06524	0.4
121.10156	17.6
122.10421	0.5
123.08079	24.6
123.11703	3.1
125.09640	1.9
128.08923	0.5
129.06963	0.6
131.08540	2.3
133.08649	0.9
133.10135	5.1
135.08054	2.6
135.11691	5.5
137.09575	2.4
137.13251	1.8
139.11206	1.0
143.08562	0.9
145.10135	3.9
147.11705	3.0
149.09660	1.2
149.13268	5.6
151.11182	0.9
157.10124	1.1
159.11739	2.9
161.09685	0.5
161.13315	2.3
163.11150	0.9
163.14857	2.5
165.12772	1.3
165.16435	0.4
167.14305	4.0
171.11746	0.8
173.13284	1.0
175.14877	1.3
177.12810	1.2
177.16397	10.0
179.14328	28.3
181.15912	1.0
187.14835	1.1
189.16386	0.6
191.18005	0.6
193.15948	1.7
201.16296	0.6
205.15965	1.2
221.15436	0.4
221.18925	0.7
223.16899	0.9
224.17474	0.6
231.15860	0.9
235.20567	0.6
249.22079	0.6
263.20178	0.7
273.22235	0.6
277.21652	3.5
291.23190	3.1
293.21027	0.9
305.28513	0.9
319.22662	1.3
331.26297	0.6
333.27905	23.4
334.28311	0.9
345.27939	0.6
349.27502	1.5
351.28949	14.6
361.31104	0.8
371.29449	4.2
389.30533	8.2
407.31586	100.0
408.31854	3.5
421.13495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	47.5
56.96811	7.8
57.07081	46.5
65.14294	7.5
67.05499	21.1
69.07076	86.6
71.08636	47.9
71.55805	9.8
78.19574	7.9
79.05492	25.3
81.07059	75.7
83.08616	52.4
83.45670	8.1
85.10190	17.5
89.06023	21.2
92.85707	7.6
93.07032	20.7
93.95348	7.9
95.08611	55.4
96.43233	8.1
97.06505	12.6
97.10165	33.4
99.04437	13.0
104.33496	8.9
105.07092	14.7
107.08591	23.8
109.06534	24.0
109.10168	40.5
111.04451	14.1
111.11697	15.6
119.08590	19.1
121.10142	26.6
123.08064	11.8
123.11722	11.6
125.05997	62.3
133.08598	12.4
133.10144	19.1
135.11699	15.8
137.05977	100.0
137.09578	15.5
139.07539	11.0
141.05513	16.4
147.11708	14.5
149.09558	7.4
149.13321	8.8
151.07565	21.8
161.09639	15.5
165.09134	26.0
167.10677	11.0
177.12756	9.9
179.10674	37.9
181.12247	13.8
193.12305	30.0
197.11795	14.8
207.13866	20.4
221.15337	20.4
235.17052	16.2
237.18407	8.2
249.18556	16.2
263.20181	20.8
277.21552	15.1
281.21155	10.6
291.23196	9.7
305.24698	16.3
328.18924	8.7
368.74310	10.3
389.34073	39.4
407.35468	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	407.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01853	1.1
55.05510	2.0
56.05033	5.7
58.06602	1.6
60.04535	1.3
65.03944	1.1
69.03429	1.8
69.07071	13.1
69.45621	9.2
70.02962	1.5
70.06596	25.6
72.08163	11.4
74.06056	1.7
80.05013	1.2
81.07062	1.7
83.05627	2.3
83.06107	33.0
84.04508	44.5
84.08140	13.3
85.02908	1.6
86.09707	100.0
88.03986	2.0
91.05474	2.9
91.34594	1.1
93.07018	1.9
96.04510	1.6
97.06564	1.4
99.02672	1.6
101.07150	9.1
101.10785	1.4
102.05571	1.2
102.09137	1.3
103.05463	5.0
105.07027	1.6
107.08588	1.2
107.79741	1.1
110.07186	4.0
113.04249	4.0
113.07146	1.1
116.07095	2.2
120.08108	85.5
121.08439	1.5
129.06602	22.9
129.10260	5.1
130.05022	2.6
131.11801	6.9
132.10191	5.9
136.07599	2.8
141.06558	1.2
149.06053	1.5
152.10732	4.4
157.13326	1.3
166.08650	40.3
169.13393	6.3
177.03400	1.4
177.10263	3.4
177.54263	1.2
179.04919	1.4
186.09103	2.2
189.12411	1.3
191.14313	1.2
196.14459	28.6
197.12852	18.4
197.14595	1.9
203.13913	2.5
205.09688	8.5
214.15517	21.2
224.13977	12.1
224.16008	1.7
225.12398	4.7
231.11310	4.5
242.15021	12.8
251.19434	1.2
266.13724	1.2
276.13565	6.1
294.14063	1.5
327.16473	1.9
389.21750	15.8
407.17371	1.6
408.18954	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.2
56.05055	4.8
59.71025	5.2
60.58872	4.5
62.12687	4.7
67.05502	8.0
69.03432	11.3
69.07086	11.4
70.06583	28.4
71.06746	9.4
72.08147	17.1
74.06094	7.4
79.05501	9.9
81.03419	12.0
81.06656	5.1
81.07041	32.6
83.04987	23.4
83.08632	14.2
84.04499	8.6
84.08159	31.7
84.56643	4.5
85.02911	32.2
86.09711	29.1
90.05573	10.6
91.05498	11.6
93.07047	17.6
95.04978	16.1
95.08624	17.3
97.06557	14.2
99.04425	6.4
102.05528	6.1
103.05471	5.7
105.07021	26.0
107.08573	29.0
107.28056	5.0
109.06523	37.4
109.10130	29.0
110.07199	6.0
113.04275	5.5
119.08597	23.6
120.08105	41.8
121.02866	21.2
121.08482	8.8
121.10165	24.8
123.08081	6.9
123.11726	11.1
124.03946	9.2
127.03972	7.8
129.10246	17.0
131.08589	14.4
133.10153	71.2
135.11697	5.1
145.04938	7.1
147.11658	24.9
149.13269	17.9
151.11235	21.5
153.09123	14.8
163.14798	6.7
167.14342	22.2
173.13278	23.6
175.14842	44.1
181.15872	6.0
191.14351	29.1
193.15929	15.7
209.15388	100.0
225.40991	5.3
226.18013	11.3
227.16457	9.1
249.12228	6.2
313.58615	5.1
346.11121	10.6
374.10605	12.6
388.23767	7.3
406.24985	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.3
55.05512	10.2
56.05030	6.4
57.03444	4.8
57.07078	5.5
58.99582	15.4
61.01156	7.7
61.02934	4.0
63.04145	3.4
65.03939	3.3
67.05505	13.2
69.03423	12.4
69.07077	34.9
70.06593	53.1
70.07415	4.3
70.19664	4.2
70.59797	11.0
71.04991	5.4
72.08150	23.2
73.01147	17.9
79.05496	16.6
79.75975	4.1
81.03415	7.7
81.07055	68.0
83.04988	10.2
83.08609	5.6
84.04513	19.0
84.07637	5.2
84.08144	100.0
85.02921	37.0
85.06541	5.7
86.09710	40.1
91.05492	16.2
93.07034	33.7
95.04967	15.1
95.08627	18.6
97.02895	10.3
97.06548	23.9
98.06896	5.5
99.02686	13.6
99.04466	4.5
99.08078	18.0
101.04256	27.4
101.06013	3.7
103.05475	4.5
104.98294	12.4
105.07021	18.2
107.08596	47.4
109.02914	6.1
109.06524	11.6
109.10165	23.3
110.07172	6.6
111.02662	6.7
111.08079	10.7
112.03450	7.7
113.04251	49.7
114.04571	15.5
115.03860	4.0
119.08614	5.5
120.08112	55.7
120.08919	5.6
121.10152	40.3
123.08085	10.1
123.11649	5.1
127.05809	6.3
127.07568	13.3
129.03722	16.0
129.10248	21.0
130.04225	4.2
131.08580	8.0
133.01379	6.1
133.10133	21.5
135.08025	23.4
135.11699	14.0
136.07539	3.6
139.11143	4.8
142.99873	15.9
144.00186	5.1
145.04979	5.1
145.10126	8.5
147.11656	15.1
149.09627	5.8
149.13254	20.5
151.11279	5.3
153.09082	7.1
160.04260	4.0
161.00835	5.1
161.04506	19.7
163.02425	8.3
163.14845	18.6
165.12761	54.2
167.14299	4.9
171.11667	4.1
173.13229	13.8
186.09068	6.2
189.04030	41.9
191.14340	41.6
209.15363	50.7
227.16422	60.9
237.03769	9.8
242.97086	3.9
251.02443	4.6
252.02567	7.4
272.11346	12.4
301.03268	7.5
302.04199	22.9
328.10214	4.8
333.00601	9.4
406.18408	34.4
407.03229	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	19.9
58.06598	4.2
60.04508	4.4
65.13150	4.0
67.05489	7.0
69.03411	17.6
69.07059	12.1
70.06603	33.5
71.04977	6.3
71.22207	10.1
72.08149	19.6
74.06068	8.6
79.05494	8.2
81.02969	4.3
81.03395	10.5
81.07054	16.4
83.04991	23.7
83.08611	17.5
84.04503	14.3
84.08153	39.1
85.02914	20.6
86.09710	47.1
86.10193	6.9
87.66566	5.1
90.02198	3.8
91.05466	13.7
93.07031	12.8
95.04982	6.2
95.08611	5.3
95.82537	4.6
97.02867	10.6
97.06538	9.8
97.10166	5.5
98.06005	5.0
102.09200	11.5
105.07032	12.0
107.08587	19.3
109.06518	21.0
109.10156	11.2
110.07179	12.7
111.08131	5.7
115.17513	4.7
118.06462	5.8
119.05013	5.8
119.08568	5.8
120.08072	13.6
121.10131	21.1
123.11749	8.0
125.09617	5.5
129.10217	14.1
131.08603	7.0
133.10162	24.2
136.07602	10.0
147.11636	8.1
151.11168	15.8
153.09081	6.4
163.14816	6.9
167.14371	22.2
173.13263	19.6
175.14795	6.2
191.14371	23.2
196.04283	10.8
198.09103	5.0
205.11002	5.9
207.06537	6.8
209.15381	100.0
226.17993	34.3
227.16440	8.1
244.19069	16.3
308.11646	8.9
335.57565	4.7
406.24304	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	406.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64729	5.3
61.01184	13.3
61.85004	5.1
63.95984	5.2
69.07062	6.5
70.06600	100.0
71.54771	7.7
72.08151	20.0
73.73064	5.1
73.76477	5.1
77.07732	5.3
79.43520	5.5
81.07069	7.5
84.02445	5.6
84.04469	11.3
84.08154	59.5
86.09728	35.5
86.10159	5.7
95.05000	5.9
95.08629	7.4
99.02710	5.4
103.62553	6.4
113.04220	7.5
118.06895	14.7
120.08095	21.0
129.10258	21.4
130.06555	15.2
130.08711	9.6
133.10043	6.3
159.09140	11.9
183.14882	6.6
245.75743	5.6
247.55280	5.4
307.15503	8.6
342.21185	6.5
364.72720	5.7
415.83203	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60625	3.1
55.01890	2.8
55.05519	9.1
56.05032	3.8
57.03427	3.7
61.02946	4.6
67.05507	13.3
69.03420	14.5
69.07079	22.8
70.06596	34.0
71.04994	19.0
72.08163	7.9
78.22527	2.7
78.91273	2.7
79.05500	30.3
81.03437	5.0
81.07069	36.6
83.04990	5.3
83.08624	4.2
84.04504	5.1
84.08149	21.9
85.02905	32.4
85.06527	5.7
86.09702	13.9
91.05495	11.3
93.07063	23.1
95.04977	7.5
95.08616	36.0
97.02894	8.9
97.06538	10.0
97.10181	5.0
99.04462	75.1
101.06027	14.3
105.07050	24.9
107.07865	5.9
107.08599	100.0
109.06518	13.2
109.10178	17.6
111.08101	2.9
113.04223	5.5
113.06059	3.8
118.06902	9.5
119.08593	16.1
120.08100	6.4
121.10156	45.9
123.08086	8.6
127.03909	5.7
129.10292	7.7
130.06503	4.5
131.08577	10.9
133.10144	28.3
135.08087	8.7
135.11731	14.1
139.11221	6.0
145.04967	5.6
145.10130	3.8
147.11703	8.6
149.09576	3.9
149.13255	4.5
151.11194	5.9
161.13278	34.1
163.11136	4.8
163.14871	24.1
165.12750	16.1
173.13263	20.9
179.14326	77.6
179.15831	5.3
191.14297	69.8
197.15401	34.3
209.15385	80.3
227.16394	12.3
232.32420	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.2
56.05023	5.5
57.05809	1.4
60.04530	10.2
61.01179	1.1
69.03410	1.6
69.07069	7.8
70.02979	1.2
70.06602	15.5
70.36745	1.2
70.64928	3.3
72.08163	100.0
73.08501	2.3
74.06092	13.5
82.06573	1.6
83.06101	3.7
83.98772	1.1
84.04513	6.0
84.08154	14.4
85.02913	3.6
85.08517	1.2
86.09715	90.3
87.05582	4.6
87.10049	1.8
88.03976	1.5
91.05520	1.2
98.06070	1.6
101.07175	1.6
102.05537	3.4
105.63876	1.1
110.07152	3.4
112.07620	6.2
112.08807	1.3
114.09183	3.4
116.07121	3.1
119.04915	1.3
119.57934	1.2
120.08114	3.5
121.06499	1.6
127.04016	1.2
127.05050	2.2
128.10744	1.4
129.10265	8.4
130.06551	3.9
130.08647	16.8
131.08121	1.3
132.08145	1.4
132.10223	6.1
136.07523	1.8
141.06564	2.4
143.11906	1.7
144.06540	1.4
145.09721	3.4
155.08206	1.6
155.11801	2.0
157.09752	3.6
159.07756	1.8
159.09247	3.0
159.11313	24.0
169.09753	1.4
173.09232	1.9
173.12894	13.8
175.10727	6.6
177.06697	1.2
178.70685	1.1
183.11314	4.7
185.07336	1.8
185.09225	9.2
187.10802	15.1
201.12367	15.4
203.10240	6.0
203.13947	10.8
205.11826	20.3
207.06464	2.2
208.06932	1.9
212.10313	3.6
219.13432	4.6
256.09363	1.8
256.12949	7.8
269.59164	1.4
274.13885	2.8
282.18088	12.2
287.05469	1.5
290.11255	1.7
292.15005	4.0
300.19073	2.7
345.10880	1.4
405.17673	2.0
405.22983	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03945	8.9
55.01878	13.6
55.05308	2.6
55.05518	28.6
56.04203	2.4
57.03440	11.7
57.07056	3.3
67.05509	71.4
68.22507	2.1
69.03432	28.5
69.07072	28.9
70.40185	6.6
70.40514	2.4
71.04983	12.5
73.02888	4.8
73.45803	2.4
79.05065	5.0
79.05496	61.8
81.03413	28.5
81.07057	85.8
83.04982	14.6
83.08609	14.0
85.02912	12.0
85.06539	4.2
91.05486	70.7
93.07049	65.2
95.04974	14.5
95.08054	4.0
95.08613	55.1
97.02909	11.6
97.06511	8.7
97.10150	6.8
99.04457	7.1
103.05487	4.8
105.07034	67.5
107.04958	11.4
107.08591	43.3
109.02879	6.0
109.06525	10.7
109.10165	23.9
111.04445	16.3
111.08073	4.2
113.04237	5.8
113.06015	3.5
115.05476	6.4
117.05544	2.9
117.07018	40.8
119.04971	3.1
119.08579	52.5
121.06544	12.1
121.10155	29.0
123.04412	5.2
123.08082	9.7
123.11709	8.5
125.09612	5.3
127.03924	5.4
128.06233	7.7
129.05518	2.9
129.07013	28.1
130.07799	5.0
131.04865	3.2
131.08580	46.0
133.06477	8.5
133.10135	41.7
135.04485	2.6
135.08018	7.3
135.11699	18.1
137.05992	3.2
137.09621	5.7
141.06973	6.7
142.07765	5.8
143.08568	24.5
145.06464	5.2
145.10118	35.4
147.08057	8.1
147.11684	31.5
149.05984	4.2
149.09630	8.7
149.13251	10.3
151.07523	2.9
151.11189	3.3
155.08540	9.6
156.09271	2.6
157.06520	3.7
157.10120	25.9
159.08069	6.7
159.11708	27.8
161.09615	9.1
161.13216	14.4
163.11240	6.5
163.14871	4.3
167.08606	6.2
169.10176	6.9
170.10875	2.7
171.08031	4.4
171.11684	15.8
173.09671	3.3
173.13251	22.6
175.11197	6.6
175.14845	5.7
177.12737	4.4
181.10129	7.2
183.08221	3.1
183.11728	7.3
185.09628	6.0
185.13289	11.9
187.11172	5.9
187.14818	12.2
189.12743	5.9
195.11679	5.7
197.13286	5.7
199.11171	4.7
199.14877	10.0
201.12741	6.5
207.11717	3.4
207.13788	2.9
209.13312	4.3
211.14894	3.9
213.12714	5.8
215.14305	3.2
217.15932	4.1
221.13361	3.7
225.12914	5.0
229.12306	2.5
235.16945	2.8
239.14487	2.8
243.13887	3.1
249.18694	2.5
259.20657	8.2
271.20578	7.4
273.22128	8.5
275.20203	3.0
277.21616	8.3
285.22229	8.3
287.23596	4.4
289.21619	11.0
291.23279	5.6
299.23691	3.7
301.18610	2.5
301.21609	14.8
303.23230	7.4
313.21603	6.4
315.23120	15.0
317.24609	3.8
319.22693	10.3
323.23654	2.7
327.23083	8.3
331.22662	6.2
341.24878	11.6
345.24258	9.1
351.23230	17.0
357.23566	2.7
359.25894	6.7
369.24231	52.0
387.25363	43.4
405.26349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01868	1.8
55.05509	2.8
56.05030	2.7
57.03439	4.0
58.06596	1.0
60.04505	1.1
61.02920	1.0
67.05507	2.8
68.02643	4.6
68.05025	1.0
69.03436	9.2
69.07068	4.8
69.65473	0.8
70.06599	7.6
71.05006	2.9
71.55113	1.0
72.08157	8.7
72.56616	0.8
74.06098	4.3
76.02248	0.9
79.05515	1.1
81.03424	3.2
82.06578	1.0
83.04987	3.6
84.02130	2.2
84.04519	3.8
84.08149	11.2
85.02908	10.8
85.06539	4.6
86.09710	11.8
87.04459	1.7
88.04021	0.7
91.03967	0.8
91.05500	2.9
93.07037	0.8
95.01324	1.6
95.04988	3.8
97.02901	6.0
97.06522	1.6
98.77602	0.8
99.04472	3.9
100.07629	1.7
101.07142	2.1
102.05557	1.1
103.05444	1.4
105.07076	1.7
110.06058	1.1
110.07195	2.6
111.04450	34.4
113.06023	13.1
114.03802	1.8
115.07587	3.3
116.07098	1.5
118.06549	1.4
119.04935	0.9
119.08553	1.1
120.08119	12.1
123.08105	1.4
125.06032	2.3
127.03958	2.6
128.10713	1.0
129.05487	4.4
129.10243	8.1
130.04985	2.0
130.06563	1.9
136.07561	4.3
137.05971	1.9
137.09645	0.9
142.59309	1.0
146.06036	3.1
146.11771	1.1
147.08055	0.9
149.09549	0.8
153.05479	2.5
155.03401	100.0
156.03719	1.7
157.07550	1.3
159.09203	2.4
164.02032	0.9
165.05342	0.8
165.09117	2.0
173.12892	8.1
179.10687	1.9
183.06543	1.3
188.07103	7.4
197.07114	1.2
198.36356	0.8
201.12361	3.2
205.09746	3.9
207.10112	1.1
211.08664	2.4
217.06342	1.5
219.07965	2.0
225.06609	3.1
225.11250	53.8
226.11545	1.3
228.06787	0.8
239.08151	5.3
243.12288	36.1
245.12891	4.6
249.03629	0.8
250.35870	0.8
251.05176	1.1
253.09744	4.0
257.09274	2.0
267.07608	2.0
271.10648	1.8
281.09167	3.2
299.10327	5.5
309.08765	3.4
327.09763	8.2
329.11307	1.7
337.08286	1.7
345.10812	13.7
355.09283	2.7
373.10263	14.1
387.16486	14.1
405.12897	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2122
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01890	6.7
55.05508	7.8
56.05037	9.4
58.06609	4.8
67.05482	5.4
69.00615	3.5
69.03423	6.0
69.07069	10.6
70.06593	19.8
71.54787	7.5
72.08153	17.8
73.01137	7.3
74.06065	8.6
79.05496	7.0
81.07068	5.2
82.06574	4.1
83.04993	5.4
84.04501	22.7
84.08154	30.2
84.73953	4.3
85.02908	17.8
85.06569	4.2
86.09712	29.5
91.05500	8.6
93.07031	7.8
95.08626	6.6
97.02908	6.7
97.06496	6.7
104.98326	4.5
105.07025	8.3
107.08611	6.9
108.08123	6.5
109.06528	6.4
109.10154	7.6
110.06060	4.1
110.07161	5.5
111.08101	4.2
112.03970	3.9
113.04231	7.9
114.03739	9.2
115.03958	3.6
116.05316	10.4
116.07076	6.9
119.08593	14.1
120.08106	17.9
120.29321	3.6
121.10158	26.6
123.08067	18.0
129.10249	12.7
130.05014	7.8
133.10152	8.4
136.07617	4.7
145.10052	5.8
147.11671	6.7
149.09583	9.6
157.07603	4.5
161.13258	10.0
162.02161	5.3
163.11203	8.0
174.66504	4.1
177.03329	6.2
181.12263	5.8
188.07048	6.9
189.12772	10.5
197.07137	12.0
202.05307	5.2
207.13863	10.9
211.08665	9.7
217.06392	7.7
219.07942	14.4
225.06587	13.4
225.10306	7.3
225.14636	15.4
227.11681	4.3
239.08165	37.1
243.15985	24.1
245.12944	39.2
251.05124	6.7
253.09761	19.6
257.09326	11.8
267.07745	17.5
271.10751	13.1
281.09116	27.1
289.11725	8.0
293.09509	4.1
297.08441	4.4
299.10223	35.0
309.08749	35.7
311.10300	7.9
317.48691	4.0
327.09781	52.4
329.11353	6.5
341.09888	5.5
345.10849	100.0
355.09280	12.0
373.10297	84.2
387.11664	7.7
405.12918	21.5
405.19989	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	405.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01868	1.8
55.05509	2.8
56.05030	2.7
57.03439	4.0
58.06596	1.0
60.04505	1.1
61.02920	1.0
67.05507	2.8
68.02643	4.6
68.05025	1.0
69.03436	9.2
69.07068	4.8
69.65473	0.8
70.06599	7.6
71.05006	2.9
71.55113	1.0
72.08157	8.7
72.56616	0.8
74.06098	4.3
76.02248	0.9
79.05515	1.1
81.03424	3.2
82.06578	1.0
83.04987	3.6
84.02130	2.2
84.04519	3.8
84.08149	11.2
85.02908	10.8
85.06539	4.6
86.09710	11.8
87.04459	1.7
88.04021	0.7
91.03967	0.8
91.05500	2.9
93.07037	0.8
95.01324	1.6
95.04988	3.8
97.02901	6.0
97.06522	1.6
98.77602	0.8
99.04472	3.9
100.07629	1.7
101.07142	2.1
102.05557	1.1
103.05444	1.4
105.07076	1.7
110.06058	1.1
110.07195	2.6
111.04450	34.4
113.06023	13.1
114.03802	1.8
115.07587	3.3
116.07098	1.5
118.06549	1.4
119.04935	0.9
119.08553	1.1
120.08119	12.1
123.08105	1.4
125.06032	2.3
127.03958	2.6
128.10713	1.0
129.05487	4.4
129.10243	8.1
130.04985	2.0
130.06563	1.9
136.07561	4.3
137.05971	1.9
137.09645	0.9
142.59309	1.0
146.06036	3.1
146.11771	1.1
147.08055	0.9
149.09549	0.8
153.05479	2.5
155.03401	100.0
156.03719	1.7
157.07550	1.3
159.09203	2.4
164.02032	0.9
165.05342	0.8
165.09117	2.0
173.12892	8.1
179.10687	1.9
183.06543	1.3
188.07103	7.4
197.07114	1.2
198.36356	0.8
201.12361	3.2
205.09746	3.9
207.10112	1.1
211.08664	2.4
217.06342	1.5
219.07965	2.0
225.06609	3.1
225.11250	53.8
226.11545	1.3
228.06787	0.8
239.08151	5.3
243.12288	36.1
245.12891	4.6
249.03629	0.8
250.35870	0.8
251.05176	1.1
253.09744	4.0
257.09274	2.0
267.07608	2.0
271.10648	1.8
281.09167	3.2
299.10327	5.5
309.08765	3.4
327.09763	8.2
329.11307	1.7
337.08286	1.7
345.10812	13.7
355.09283	2.7
373.10263	14.1
387.16486	14.1
405.12897	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93057	1.0
58.99591	10.9
61.00873	1.5
61.01155	15.2
67.05486	4.6
69.07071	15.7
70.06600	6.0
70.99567	1.3
71.56216	1.4
73.01147	16.8
79.05510	5.8
81.07068	2.3
84.08146	4.0
85.01149	1.9
86.09708	2.7
86.99065	2.4
87.02673	2.3
89.04298	2.9
91.05532	1.1
93.07104	1.7
95.04958	2.9
96.05758	2.0
97.01089	1.7
97.06544	10.8
99.02680	5.4
101.04253	13.3
101.47113	0.9
102.96763	1.6
103.97535	3.7
104.98320	31.5
104.98997	2.0
105.07027	1.4
106.99841	1.0
107.01664	1.2
107.04936	1.1
109.10151	1.6
110.93944	2.0
111.02680	18.6
112.03463	11.4
113.04237	100.0
115.02161	9.0
118.06918	1.2
120.08109	2.3
120.97826	2.3
121.01434	1.6
127.02177	1.3
129.03709	30.6
130.04498	6.7
131.05298	5.7
133.01408	3.1
136.95480	5.6
139.05724	1.1
142.99867	10.2
144.00642	3.7
145.01433	9.6
161.00912	12.2
163.02373	1.6
176.98639	1.5
184.95818	1.5
194.99745	1.7
217.01845	3.1
222.86801	1.0
235.02872	2.5
266.99985	2.4
341.03586	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.5
58.99593	17.9
61.01158	16.6
67.05502	6.8
69.03440	1.6
69.06721	1.8
69.07074	19.2
69.67979	8.3
69.84917	1.5
70.06259	1.4
70.06593	9.7
72.08173	2.3
73.01144	13.7
74.09753	1.5
75.87006	1.3
76.02238	1.6
79.05511	7.4
81.07080	2.3
83.08612	2.2
84.04504	4.4
84.08141	6.3
84.13846	1.4
85.01138	3.2
85.06516	1.7
86.09711	5.4
86.99057	3.2
87.02701	3.6
89.00615	1.9
91.05500	1.6
95.04981	2.0
96.05751	3.5
97.01092	1.8
97.06537	16.7
98.21473	2.6
99.02691	7.7
100.11249	3.7
101.04254	22.0
102.96777	1.4
104.98331	36.6
107.01643	2.2
107.08619	1.5
109.10162	1.6
110.07157	1.8
111.02683	23.3
112.03440	11.0
113.04239	100.0
115.02167	9.1
118.06851	2.1
119.08595	2.6
120.08102	1.4
127.02129	1.6
129.03712	38.8
129.10233	2.9
130.04445	8.0
130.06541	1.5
130.99886	1.4
131.05273	5.3
133.01404	4.3
136.95493	1.9
142.99831	12.6
144.00578	2.3
145.01421	3.1
147.02954	3.1
157.01414	1.6
161.00919	12.3
171.08359	1.8
182.15445	2.4
183.02850	1.6
201.10542	1.3
210.14902	3.0
217.01785	3.3
218.66150	1.5
235.02843	4.2
240.86015	1.3
280.15707	1.5
282.17142	1.3
337.87143	1.4
341.03714	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
55.05494	2.9
56.05037	3.1
56.69844	1.5
57.07063	2.4
58.99589	28.9
60.04514	2.7
61.01150	7.2
62.99069	1.9
65.03943	3.6
67.05512	13.6
69.03426	3.1
69.07075	55.9
69.35475	11.8
70.06597	18.4
72.00343	2.7
72.08144	6.2
73.01144	22.8
74.06072	5.3
75.02771	1.6
78.96775	2.2
79.05502	10.3
79.31364	1.5
81.07052	1.3
83.06113	1.5
84.04511	3.5
84.08144	18.7
85.01135	2.2
85.02919	1.8
85.06544	3.6
85.08493	1.7
86.09702	17.0
86.99107	3.0
87.02704	4.7
89.00594	3.9
93.07044	1.4
95.04964	6.2
96.05756	7.7
97.01123	3.7
97.02921	1.8
97.05907	3.3
97.06538	65.2
99.02691	21.4
100.07635	3.0
101.04251	44.4
102.96759	2.1
103.97526	4.7
104.98321	15.9
107.08572	1.9
110.07166	6.6
111.02673	12.4
111.04470	2.8
112.03462	16.8
113.04242	100.0
113.07100	1.8
114.05024	4.6
114.84321	1.4
115.02149	8.8
115.05838	1.7
115.07533	1.9
116.07104	2.0
116.98325	3.5
118.06903	2.4
118.99886	4.2
120.08114	23.6
120.97791	4.9
121.08482	3.4
122.99341	2.5
123.04491	1.8
127.02119	3.1
127.03970	1.7
128.02933	2.7
129.03711	49.6
129.10254	11.2
130.04475	11.5
130.06551	2.5
130.10583	1.8
131.05281	13.9
133.01428	22.2
134.99338	1.6
136.07600	3.4
136.95491	6.6
138.93695	1.6
140.15782	1.7
142.99860	43.8
145.01463	10.0
145.03192	2.5
145.09851	2.5
155.03389	6.0
161.00919	9.3
162.01680	3.0
163.02480	11.5
171.06400	1.7
173.09242	1.9
197.07098	5.3
211.08659	6.9
225.06717	7.0
225.10385	1.6
227.08104	3.1
239.08128	12.6
243.12201	2.0
245.12776	11.1
251.02327	15.4
253.09755	8.5
257.09164	2.7
267.07635	6.3
271.10831	5.4
281.09311	7.1
289.11880	3.3
291.00458	1.5
299.10248	13.0
309.08624	12.8
327.09833	21.6
327.13467	1.3
329.11353	3.5
341.03488	3.0
345.10831	38.0
355.09265	4.5
373.10303	39.1
387.11621	1.9
405.12759	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.3
55.23425	3.5
56.05032	7.3
56.50122	3.3
60.04522	6.4
61.01952	3.4
66.34952	3.7
66.41276	3.5
69.03445	5.2
69.07073	4.0
69.30426	9.6
69.30841	26.6
70.06597	29.5
71.06927	3.9
72.08161	30.1
74.06055	8.2
82.45090	4.0
84.04517	7.3
84.08156	38.5
85.02895	18.3
86.09708	57.7
87.10058	7.9
91.05456	9.7
109.02949	3.9
109.69878	4.3
110.07188	7.6
111.04453	4.3
113.06039	5.8
114.36959	4.2
119.08587	16.3
120.08117	14.3
123.11697	6.1
127.03959	3.6
129.10236	25.9
133.06415	4.6
136.07588	11.3
145.10123	15.6
147.11720	21.2
149.09656	6.2
155.03394	7.6
159.11292	4.2
171.11623	6.1
189.12773	100.0
207.13777	6.0
225.11476	4.0
233.15076	4.5
239.08258	4.0
245.12770	4.2
327.09802	7.1
345.10788	14.7
373.10297	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
58.99601	7.2
61.01159	8.0
67.05497	4.7
68.53053	1.4
69.07070	9.6
69.88396	7.0
70.06593	2.2
73.01154	16.5
78.96793	1.6
79.05482	6.1
81.07064	1.8
84.08118	2.4
85.01134	3.1
86.09692	1.4
87.02697	1.7
90.01425	1.5
95.04961	2.8
96.05725	1.5
97.06547	10.1
98.01913	1.4
99.02674	7.6
101.04240	12.9
103.97535	2.9
104.98329	13.5
105.07015	1.9
110.93968	6.8
111.02682	12.9
112.03448	12.2
113.04242	100.0
115.02161	2.5
116.98314	2.2
121.10104	1.8
129.03712	18.6
130.04509	6.8
131.05284	5.2
133.01430	2.1
133.74954	1.5
136.95506	6.7
139.05757	5.2
142.99860	8.7
144.00626	3.7
145.01424	7.8
152.06522	1.4
161.00896	4.3
162.85738	1.3
165.04028	2.6
171.08357	1.5
174.97176	1.6
176.98657	1.8
183.02975	2.4
203.86211	1.4
240.98523	3.0
250.18564	1.5
259.25848	1.3
267.00027	4.7
315.00357	3.8
341.02005	2.9
347.45111	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
58.99580	8.6
61.01154	5.6
67.05508	3.6
69.07074	9.8
69.28150	0.9
70.06592	1.3
70.32773	3.4
70.99576	1.2
73.01148	18.3
79.05506	7.3
81.07043	1.5
81.70280	0.9
82.86967	1.0
84.08152	1.3
85.01126	1.5
85.36263	0.9
87.02696	1.1
89.00629	1.0
95.04978	2.1
96.05761	0.9
97.01086	0.9
97.06529	6.3
98.01907	1.2
99.02668	6.0
101.04246	10.2
102.96764	2.7
103.97541	4.7
104.98320	17.8
106.99927	1.6
107.08609	1.0
110.93942	0.9
111.02679	11.1
112.03454	13.3
113.04234	100.0
113.94483	1.1
114.05109	1.7
115.02153	2.3
115.03814	1.5
115.05779	1.7
116.98295	4.8
118.99874	1.7
121.80254	0.9
125.04216	1.6
129.03705	16.6
130.04521	4.8
130.99886	0.9
131.05254	4.6
133.01436	1.3
136.95473	7.8
139.05753	1.7
142.99835	7.0
144.00594	5.0
145.01414	9.4
147.02998	1.9
161.00877	4.7
174.97041	1.3
176.98622	3.7
185.04555	1.4
192.98225	1.3
194.99680	2.1
222.58733	1.0
235.02777	2.1
267.00031	8.4
341.01825	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.8
56.05031	7.0
58.74615	2.6
59.04997	2.8
60.04538	3.9
67.05505	8.2
69.03440	2.8
69.07082	6.4
70.06592	22.5
71.04997	3.8
71.26203	4.3
72.08160	22.4
74.06076	16.9
77.08509	2.2
79.05496	7.0
79.58107	2.4
79.65586	2.4
81.07059	5.8
84.04510	9.4
84.08154	27.8
85.02917	5.8
85.04015	4.9
85.06546	9.9
86.09711	21.5
87.10031	3.3
89.77045	2.5
90.42030	2.6
91.05477	17.4
93.07057	6.2
95.08617	8.9
98.06068	4.5
98.55196	2.5
99.68169	2.7
104.98326	2.9
105.07043	54.6
106.07372	2.6
107.08592	12.7
109.06535	17.5
110.07164	3.7
116.05336	4.4
116.07115	9.7
117.06998	2.9
118.27701	3.3
119.08593	66.0
120.08118	7.1
121.10131	13.9
123.08067	12.3
123.11730	6.5
129.10237	18.2
130.05032	4.7
130.06525	5.7
130.07777	3.7
130.08652	2.8
131.08594	7.7
132.08075	4.3
133.10129	5.4
136.07635	3.0
137.09651	10.1
145.10149	14.3
147.08005	3.0
147.11694	80.2
148.02510	3.3
149.09656	15.4
151.07625	3.1
156.09334	4.5
159.09178	8.9
161.09247	7.7
163.11179	6.9
165.12717	4.1
170.06047	3.7
171.11713	3.5
189.08867	5.0
189.12767	55.1
189.14421	4.1
204.13452	7.1
207.13821	100.0
225.14799	4.6
245.12897	3.2
249.27676	2.5
251.05252	3.9
285.88095	2.6
309.08551	3.2
345.10919	8.0
412.38141	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	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.2
56.05049	1.5
57.57761	1.2
58.08646	1.1
60.04552	1.2
64.06242	1.2
69.03434	2.1
69.13905	1.0
69.21810	1.0
70.06590	5.4
70.32927	2.3
70.33282	3.0
72.08166	6.6
74.06077	2.1
84.04501	1.8
84.08150	8.8
85.02924	4.7
86.09712	12.1
91.05482	16.8
97.02904	2.1
100.07610	5.0
100.54581	1.1
110.07133	1.1
112.08719	1.6
119.04955	28.3
129.10246	4.9
132.02167	1.5
136.07605	8.9
138.09123	4.0
147.04422	23.8
149.02263	1.7
156.10193	8.7
157.03987	1.6
164.04597	1.5
175.03917	38.0
179.07022	2.9
192.04231	10.5
207.06549	100.0
224.16475	2.8
225.07599	32.2
230.37900	1.4
260.19751	1.8
291.41049	1.3
307.11453	1.8
329.56357	1.3
404.15829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01864	7.3
55.05499	1.8
56.05038	1.9
57.03432	6.0
60.04527	3.1
61.02927	5.0
61.84655	1.4
62.81991	1.4
65.03924	1.6
65.31182	1.5
68.99775	3.5
69.03434	35.4
69.07083	3.5
69.41795	10.1
69.42218	3.4
70.02950	1.5
70.06599	15.3
71.05016	3.2
72.08150	13.1
73.02919	5.7
73.08478	2.1
74.06099	2.3
74.49828	1.6
80.27226	1.7
81.03426	21.8
84.04513	7.1
84.08144	13.3
85.02910	100.0
86.09709	37.8
87.00839	35.8
87.04461	2.6
87.10061	3.9
88.03984	3.8
91.05484	11.4
93.07063	3.7
95.01286	1.6
95.04981	2.0
97.02902	30.7
99.04450	14.8
100.07643	2.6
102.05545	2.4
103.03957	4.5
103.05450	3.3
105.01867	54.7
109.02884	29.6
110.06120	1.6
110.07164	4.2
113.04241	5.6
113.07140	1.7
114.09171	1.6
116.07133	2.2
117.01847	3.1
119.04958	11.4
120.08109	5.9
121.06512	32.6
126.05521	2.9
127.03922	66.8
129.01866	4.3
129.10248	10.8
130.06577	1.8
133.95908	2.0
136.07512	2.2
137.05988	2.2
145.04973	28.8
145.06470	3.9
145.10066	1.9
146.31052	1.7
147.02901	3.7
147.04404	13.6
148.71947	2.0
152.05701	1.9
159.02902	15.5
163.07571	3.9
173.12805	1.8
175.03912	25.5
187.07558	7.0
189.03995	10.4
192.04163	5.6
192.06523	2.1
199.18178	3.6
201.12294	1.9
205.08662	4.2
207.06538	53.9
224.13631	1.7
224.16479	3.1
225.07581	20.1
227.17572	3.7
229.08673	2.6
231.05011	16.0
247.09706	5.2
249.06059	6.2
303.05042	4.0
377.01559	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	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
56.05039	2.0
57.03416	1.0
60.04515	2.0
69.03425	1.9
69.07057	3.0
70.06600	11.0
71.06910	1.0
71.55257	1.4
72.08159	14.3
73.08513	1.0
74.06094	2.4
81.03417	1.7
81.07015	1.0
81.58103	0.8
84.04525	4.2
84.08142	10.7
85.02908	5.2
86.09711	70.0
87.05569	1.5
87.09462	1.5
87.10034	14.3
88.03998	4.4
91.05488	19.0
95.01343	1.0
95.04992	1.2
95.70797	1.0
97.02908	1.7
99.04467	1.1
100.07657	1.0
101.07123	0.9
102.05543	1.5
103.05451	1.1
107.77294	0.8
109.02905	1.2
110.06033	0.8
110.07151	2.9
111.89336	0.9
113.04258	4.7
114.03796	1.2
116.07079	1.8
118.04145	1.6
119.04948	24.5
120.06594	1.4
120.08093	3.4
121.02854	0.9
125.23489	1.1
126.09187	1.3
127.03902	1.0
129.10248	4.6
130.10626	1.0
132.02037	1.2
136.07574	3.6
138.09137	1.6
143.11777	2.5
144.12137	1.6
145.04953	1.4
147.04417	20.8
149.02301	1.3
153.05537	1.0
156.10202	8.7
157.03969	2.5
164.04698	2.1
167.07077	1.2
171.11342	1.7
172.11635	1.6
174.13145	1.0
175.03922	38.9
178.05321	1.9
179.07043	1.7
180.08546	0.9
192.04150	11.1
194.86598	0.8
199.18042	5.7
201.12292	2.1
207.06537	100.0
208.06927	1.9
215.05614	1.0
224.16356	1.1
225.07594	37.8
225.09825	1.9
227.17581	5.6
233.14964	1.1
234.15298	1.3
284.96121	0.9
285.19998	1.3
314.93866	1.0
386.24899	1.4
404.14297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
55.79255	0.7
56.05020	2.6
56.16082	0.7
57.03433	1.0
58.06594	0.6
60.04516	1.5
61.02911	1.1
62.75171	0.8
65.03956	1.3
66.09174	0.8
69.03419	2.8
69.07076	3.2
70.06600	11.6
71.02097	1.5
71.04957	0.7
72.08162	19.9
72.82755	0.7
73.02908	0.7
73.08473	1.2
74.02452	0.7
74.06086	2.2
75.05596	0.9
77.03909	0.8
81.03431	1.2
84.04499	2.3
84.07686	1.1
84.08150	12.7
85.02911	8.5
86.09714	28.1
87.10035	5.9
88.02197	0.8
88.04007	0.8
91.05488	17.4
91.96861	0.6
95.01331	1.7
95.04988	0.9
97.02885	2.8
98.09677	0.8
100.07618	0.9
102.05532	1.3
103.05482	1.0
105.03409	0.9
109.02866	1.1
110.07191	2.4
112.08700	0.8
113.04277	1.5
116.07139	1.1
118.04151	1.3
119.04955	24.3
119.56312	0.7
120.06598	0.8
120.08106	3.3
123.11707	0.7
127.03905	1.5
129.10258	7.4
130.10594	0.7
132.02112	0.9
135.04428	1.0
136.05228	0.8
136.07564	3.5
137.05963	1.3
143.11804	3.9
144.12125	0.8
145.04948	1.4
147.04427	24.2
147.11247	0.8
149.02354	1.4
153.05469	1.1
154.05876	0.8
157.04015	1.8
157.09698	0.7
164.04681	1.9
171.11336	1.5
173.09178	1.3
174.03174	0.9
175.03922	40.0
179.07060	1.5
180.08670	1.2
192.04201	12.0
201.12447	1.3
202.12743	1.0
207.06546	100.0
208.06880	1.0
215.05504	0.8
216.05902	1.0
225.07602	30.7
234.15190	1.2
353.45474	0.8
373.10226	1.2
405.16846	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	403.2553
Annotation	Ala-Leu-Leu-Ser
Peak:m/z	Relative Intensity
50.35450	0.3
55.05503	0.9
56.05040	1.5
57.03423	0.3
58.06594	0.4
58.99558	0.4
60.04527	1.2
63.23415	0.3
63.43742	0.3
65.03930	0.3
67.05515	0.6
69.03449	2.0
69.07073	6.5
70.02975	0.5
70.06242	0.5
70.06596	6.4
71.06934	0.3
71.55380	0.3
71.55801	0.4
71.98565	0.3
72.08161	10.4
73.01151	0.6
73.02142	0.3
74.06084	2.7
75.05611	1.2
79.05509	0.4
84.04503	1.8
84.08151	5.4
85.02919	2.9
85.04009	0.4
85.08445	0.4
86.09712	100.0
87.05610	0.5
87.10038	1.5
88.03958	1.4
91.05470	1.8
93.07065	0.4
95.01342	2.8
95.04972	0.9
96.08140	0.4
97.02911	0.5
97.06556	0.6
99.04512	0.3
101.07166	0.8
102.05536	1.1
104.05340	0.4
108.04498	0.3
110.07179	1.3
112.08728	0.4
114.09195	0.3
115.08714	0.3
118.08639	0.3
119.04945	2.3
120.06586	2.0
120.08106	1.5
121.51474	0.3
123.04427	0.3
123.08024	0.4
125.06020	1.7
127.03968	0.4
128.10770	0.5
129.06676	0.4
129.10239	4.2
130.05020	0.9
131.08202	0.4
132.10220	1.5
136.07608	1.3
137.06027	0.9
141.03677	0.4
142.12308	0.5
143.11806	8.7
145.06245	0.4
147.04425	2.0
147.07767	0.3
151.03946	0.5
153.05482	2.7
156.10268	0.4
157.13423	0.8
159.07747	0.6
167.07074	1.1
171.11311	5.3
173.05959	0.6
173.09299	0.4
173.12897	2.1
175.03883	2.5
175.07384	0.4
183.11337	0.3
185.05548	0.3
185.12910	0.9
187.07439	0.3
187.10854	0.8
187.14478	1.7
188.41934	0.4
189.12370	1.3
191.07103	0.3
192.04221	1.0
192.06783	0.4
196.07855	0.3
197.04497	0.7
197.12997	0.4
199.18008	0.4
201.05482	2.1
201.12352	1.5
203.13982	0.6
205.12302	0.3
206.04390	0.4
207.06552	7.4
207.08394	0.5
215.05522	2.5
215.13876	2.6
217.06161	0.4
219.06447	0.7
219.13477	1.1
223.13426	0.8
225.07574	2.3
231.06584	0.3
233.14984	3.8
239.17674	1.2
247.12996	0.3
256.20306	0.5
271.95529	0.3
272.12967	0.5
272.16098	2.2
284.19653	3.2
290.17282	1.1
355.12061	0.5
381.20947	0.4
385.24536	1.5
403.13782	0.9
403.19159	0.6
403.25299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	0.6
55.05516	8.1
56.05033	1.3
57.03453	0.6
57.05821	1.1
60.04533	1.0
63.92767	0.4
65.37949	0.4
65.75465	0.4
69.03430	1.9
69.07076	0.8
70.06602	5.3
70.88793	1.0
70.89121	0.5
72.08157	100.0
73.01166	0.7
73.08480	0.5
74.00676	1.2
74.06079	1.8
76.00266	0.7
81.03440	0.6
81.44076	0.4
82.06535	0.5
83.06126	1.2
84.04510	3.5
84.08151	2.8
85.02913	3.3
86.09708	42.4
87.05579	0.5
87.10023	0.5
88.03989	1.5
91.05486	0.7
92.98335	1.0
94.97928	1.4
95.01335	1.8
95.04980	0.9
97.02887	0.5
97.06546	0.8
98.21462	0.5
101.07178	0.6
102.05571	0.5
104.07163	0.6
107.08617	0.5
107.99410	0.6
109.98994	0.7
110.07177	0.9
112.08737	0.6
114.05586	0.5
116.07107	1.6
119.04964	0.5
119.99418	0.7
120.08121	1.2
121.98962	0.8
125.06046	1.6
127.05038	0.6
129.10258	1.4
130.04999	1.4
131.05428	0.4
132.10165	0.6
134.04538	0.6
134.08124	2.3
136.07605	0.8
141.10265	0.8
141.73868	0.4
143.11801	25.8
144.06554	0.9
145.01479	0.8
145.04971	0.6
153.05493	1.8
157.13414	0.8
159.11713	0.5
160.04237	0.5
163.02562	0.6
169.09732	0.4
171.11301	15.8
171.12723	0.9
173.12994	0.5
175.10832	1.0
177.03331	0.7
185.12955	0.5
185.16589	1.0
187.14517	0.5
189.12413	0.6
196.14482	0.7
197.04526	0.8
197.16693	0.4
199.18129	0.7
201.12332	2.6
205.12251	1.1
207.06577	0.9
215.05449	2.3
215.14059	2.0
219.09775	0.6
223.11435	0.5
223.13399	1.8
224.02448	1.0
225.15923	3.8
229.11919	1.8
229.65723	0.4
233.11339	18.3
233.15103	1.6
269.32031	0.4
270.18164	4.2
272.12369	0.6
274.02386	0.7
345.15393	0.4
385.20728	0.5
403.19104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10689	0.8
55.05519	7.8
56.05036	2.5
57.05802	1.1
58.30106	0.8
60.04527	0.9
69.03425	0.9
69.07062	1.2
69.60096	0.8
70.00057	4.1
70.06590	8.1
72.04514	1.2
72.08161	100.0
73.08485	2.8
74.06096	1.3
84.04510	34.6
84.08138	6.9
85.02901	3.0
86.09712	41.3
87.05590	1.0
87.10023	2.0
88.04002	1.0
93.09850	0.8
97.02888	1.5
102.05550	27.3
104.07126	1.9
110.07175	1.4
115.08703	32.0
116.07078	2.9
129.01836	0.9
129.10246	3.0
130.05005	1.9
132.10213	8.8
133.06104	2.1
141.06633	1.0
143.08174	38.6
143.11801	3.7
144.06569	14.8
148.06064	1.1
155.08147	2.8
157.13354	1.9
162.07632	29.2
163.11310	1.1
171.11304	1.6
173.09181	4.2
173.12982	0.8
185.12909	3.0
197.12885	15.7
199.18068	2.3
201.08716	5.0
203.13953	2.3
204.61600	1.0
205.12184	1.1
207.06334	1.3
215.10374	1.1
215.13934	1.0
219.09912	1.1
223.13326	1.5
225.12387	1.2
227.17618	1.1
242.15009	7.8
243.10934	1.1
243.13426	23.9
261.14462	25.1
272.12384	8.2
273.12781	1.0
274.18811	0.9
305.13483	1.1
332.18210	2.0
343.20264	1.0
403.14771	1.3
403.22568	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	403.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.5
56.05033	4.4
57.81609	2.2
60.04506	2.0
69.03429	6.3
69.07049	3.4
70.06595	15.9
71.34639	3.4
72.08158	86.7
74.06086	6.2
83.04998	3.8
84.04501	10.3
84.08145	25.1
85.02895	9.6
86.09711	100.0
88.03974	7.0
91.05472	4.7
93.07049	16.1
95.04958	5.2
97.02890	2.6
99.04462	3.7
101.07122	3.3
102.05557	4.9
104.78630	2.1
105.07091	2.4
110.07153	4.3
115.08631	3.2
116.07081	3.9
119.04909	2.4
120.08125	2.5
121.06511	26.2
121.10220	2.1
126.29217	2.3
127.05034	4.0
129.10287	11.3
132.10190	4.8
137.09575	2.5
141.06610	6.4
143.11803	6.0
144.06610	7.9
144.10173	3.7
147.04402	3.7
157.09697	3.6
157.13393	11.7
159.07657	3.7
159.11650	2.5
161.12874	2.6
163.11230	2.7
171.11264	3.0
175.03903	4.8
177.12718	3.0
179.10745	3.6
184.06110	3.1
185.12872	12.5
185.16632	2.3
187.07228	3.8
187.10858	3.3
189.12364	2.8
199.18071	4.4
201.12259	10.5
205.12282	16.3
207.06531	7.1
215.13902	3.3
219.09793	5.4
219.13425	6.4
223.13315	8.3
229.11794	3.8
241.14345	4.3
247.12914	5.3
257.00073	2.2
262.17715	4.7
272.12494	7.5
284.19489	2.9
304.15344	2.3
403.20413	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	403.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27773	1.5
53.03947	2.3
56.96556	4.0
58.99591	11.8
61.01152	8.5
62.66831	2.2
65.00649	8.4
67.05502	4.2
69.06790	1.6
69.07071	18.3
69.71489	11.4
70.06593	2.2
70.55389	1.7
70.99569	7.9
72.00353	1.8
72.08145	1.8
73.01142	34.7
73.06175	3.8
73.06558	52.3
75.02682	4.2
79.05476	8.1
81.07038	2.6
84.08133	1.8
85.01128	2.7
85.62049	1.6
85.98023	6.3
87.02701	4.7
91.05457	3.0
93.07018	2.0
95.04942	2.5
95.08576	2.0
95.97727	1.5
97.01115	3.1
97.06512	8.1
98.20710	2.7
99.02675	15.0
101.04239	15.8
102.96764	2.5
103.05447	2.7
103.97517	2.3
104.98322	21.9
111.02679	18.5
112.03456	19.5
113.00368	2.7
113.04234	100.0
114.05059	9.5
115.02133	3.3
115.05785	4.4
116.98268	1.9
118.99834	4.1
119.08565	2.6
121.06523	9.6
127.02128	2.1
129.03709	25.6
130.04478	6.0
130.99835	2.0
131.05231	2.2
133.01395	2.3
136.95430	1.8
137.00899	26.6
139.05771	36.7
139.26106	1.7
142.99864	17.2
144.00630	5.2
145.01419	15.8
145.21236	1.8
146.35466	1.7
149.04240	2.7
150.05013	2.9
151.05754	3.2
152.06549	10.7
161.00912	9.0
165.05550	4.4
165.09140	1.6
168.98245	1.7
176.98630	3.7
182.94310	1.8
183.02979	32.0
201.37000	1.6
235.02953	2.9
302.01978	2.7
327.16711	1.8
330.99805	17.4
371.03036	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.53833	0.7
55.05513	6.0
56.05031	2.4
57.05808	0.8
60.04522	1.5
67.05492	0.9
69.07069	8.6
70.02950	2.4
70.06601	9.8
71.54748	0.9
72.04507	1.0
72.08159	79.0
74.02470	0.9
74.06094	1.5
76.04005	1.1
82.06592	1.7
83.04964	0.7
83.06113	1.0
84.04520	4.0
84.08147	7.8
85.02898	0.9
86.09708	100.0
87.05594	15.6
87.10050	1.1
88.03985	1.3
91.05499	1.4
98.02422	3.2
98.06127	0.7
99.04475	0.8
99.05578	1.0
101.07156	1.6
102.05553	2.5
110.02446	2.1
110.07188	5.3
110.09714	1.0
113.05986	0.9
113.10756	1.7
115.04973	0.7
115.08715	2.8
116.07086	1.8
116.72183	0.7
119.04980	1.2
120.08108	1.2
121.06471	0.7
124.07626	2.1
127.05047	3.9
127.08714	3.6
128.10747	2.3
129.06664	0.8
129.10243	6.6
130.05026	0.8
130.08704	0.9
132.04805	0.8
132.10219	1.5
133.06093	5.2
136.07590	9.0
138.09143	1.2
141.10223	9.2
142.08580	0.8
142.12323	0.8
143.08156	1.5
143.11815	1.4
147.07672	2.7
152.07085	1.8
155.04558	1.5
155.11813	1.9
157.09724	4.7
157.13359	0.9
159.05901	2.0
160.06226	1.2
161.09230	0.7
166.08684	3.6
169.09727	4.4
171.11295	1.5
172.07187	3.4
173.09232	1.7
175.10805	5.6
183.11279	9.9
183.12753	0.9
184.09839	0.9
185.09225	1.0
186.12387	8.7
187.10805	2.1
193.09802	3.0
197.12848	1.0
198.98969	0.7
200.10266	1.3
200.14017	4.6
201.12482	1.2
209.14113	1.0
211.10750	5.3
212.09238	2.4
214.11829	9.1
219.13283	0.9
225.16025	0.7
228.13460	34.7
229.11826	4.1
232.12904	0.8
240.13516	1.9
241.19081	0.9
243.13708	1.0
246.14474	6.2
258.14926	0.7
261.14453	0.8
268.12885	1.2
270.18246	1.3
271.14008	5.1
272.12424	8.1
282.18185	3.8
285.85492	0.9
286.14148	1.4
289.15219	3.0
303.16730	2.6
304.14108	7.7
327.20325	3.7
340.22775	0.7
357.21381	2.4
377.71164	0.7
384.22714	1.1
385.21271	1.7
402.24042	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	403.055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
55.05507	3.1
56.05040	5.4
57.03429	3.4
57.05803	1.7
60.04515	4.5
61.01151	2.6
67.05503	4.2
69.03430	7.8
69.07072	6.5
70.06596	29.0
71.04999	2.6
71.55272	1.6
72.08159	15.3
73.01154	3.2
73.02919	5.2
73.08474	2.2
74.06073	6.6
79.05509	6.2
81.03436	2.2
81.07051	4.8
83.04986	4.3
84.04512	5.5
84.08141	20.9
85.02910	8.3
85.06547	1.9
86.06078	3.5
86.09708	100.0
90.03078	1.7
91.05486	3.6
95.01334	4.8
95.04989	4.7
95.31282	1.5
96.04457	2.1
97.02883	4.8
97.06541	4.3
99.04502	3.6
102.05543	2.4
103.05496	2.4
105.07034	2.7
107.04942	4.7
107.08605	3.5
109.02859	4.0
109.10138	2.0
110.07170	6.0
111.02661	1.9
111.04474	8.8
113.05992	13.2
113.07130	2.4
116.07078	2.0
120.08112	10.6
121.10097	2.0
123.04471	2.3
125.02361	25.6
125.06007	4.8
127.03925	5.0
129.01840	1.7
129.10263	10.2
131.08150	3.5
132.10216	4.0
135.04362	2.3
135.08063	1.9
136.07596	2.7
141.05511	2.9
141.06601	3.0
143.03415	22.4
143.11813	5.3
151.03944	3.2
153.05476	18.1
155.10768	2.5
157.13309	2.7
159.06496	2.2
159.07678	3.4
167.07040	5.7
169.05034	2.9
171.06506	11.8
171.11345	3.6
173.06044	2.2
173.12918	5.2
181.05019	2.2
185.02679	4.8
187.05960	2.9
187.14445	3.0
190.28935	1.7
191.14175	1.9
197.04478	12.5
199.17949	2.7
201.05522	8.2
201.12436	2.9
203.06978	2.1
205.12390	3.4
215.05508	24.4
215.14003	2.2
219.13464	2.1
223.06027	2.0
223.13303	6.2
233.14886	1.8
245.18605	8.1
247.02692	10.0
254.15054	8.5
272.16095	5.0
321.04602	4.4
385.24789	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	402.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99584	27.3
59.26311	3.0
61.01157	16.6
67.05489	7.5
69.07079	27.9
70.06594	5.5
70.80737	6.2
70.81091	6.8
72.00328	3.3
73.01142	18.9
73.06568	6.9
74.09718	15.0
75.16818	3.2
79.05462	4.5
81.07096	4.2
84.08153	4.5
84.55331	3.2
85.82390	4.0
86.09715	3.3
95.04965	7.2
95.08602	3.4
96.05746	4.5
97.06552	26.1
99.02676	12.6
101.04251	31.4
103.97532	3.5
104.98328	41.0
108.33148	3.5
111.02647	17.4
112.03458	26.8
113.04242	100.0
113.27348	3.1
115.02201	5.2
115.05809	3.4
115.07627	3.5
116.16132	3.9
116.98303	3.1
121.06501	4.2
127.02158	3.7
129.03723	50.2
130.04510	16.7
131.05255	16.5
133.01393	9.6
135.14059	3.4
136.95502	8.9
137.02101	2.9
142.99861	17.7
145.01447	22.8
161.00929	13.8
163.02426	6.1
194.99684	35.6
197.65266	3.7
203.05730	4.1
235.02829	27.2
271.40710	3.5
283.06509	3.3
285.01099	44.8
325.04248	8.9
341.47198	3.7
387.90289	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	402.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99590	36.6
61.01141	29.7
61.64920	8.6
69.07071	42.5
69.73516	28.1
69.73923	19.9
70.06593	21.4
70.56503	6.8
73.01165	39.0
73.06554	63.6
74.09729	20.0
79.05480	8.6
84.08132	10.6
85.60482	7.4
87.74795	7.6
97.06532	37.6
99.02688	15.9
101.04250	38.8
104.98321	72.4
111.02711	17.4
112.03461	21.1
113.04253	100.0
124.11272	9.5
129.03722	70.4
130.04488	17.4
131.05186	13.0
133.01437	10.1
142.99835	12.0
145.01421	39.9
161.00922	19.0
168.67941	7.9
194.99544	7.8
285.01050	17.6
325.04099	22.0
349.39487	7.6
373.50287	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.0
55.05498	14.6
57.07073	7.2
67.05495	19.8
69.07050	17.1
71.04996	11.8
71.55650	7.9
79.05487	20.0
81.07058	44.8
83.08609	7.8
85.47527	5.3
91.05483	45.6
93.07057	57.7
95.04957	11.6
95.08612	31.6
97.02895	10.3
103.78949	5.4
104.69763	6.5
105.07037	100.0
107.08612	41.4
109.06526	65.1
109.10139	17.5
111.08086	5.6
115.05424	10.1
117.07037	28.0
119.08590	93.1
121.10123	22.9
123.11642	6.8
128.06242	14.5
129.07059	27.8
130.07808	7.3
131.08554	70.6
133.10144	90.6
135.08041	20.2
135.11673	24.0
141.06949	12.9
142.07794	31.8
143.08588	52.0
144.09308	11.2
145.10141	96.0
147.08037	9.8
147.11668	17.6
155.08574	21.1
156.09381	27.5
157.10127	75.0
158.10915	16.2
159.08064	7.7
159.11690	30.5
161.13184	6.7
165.07019	8.1
167.08612	7.9
168.09384	8.9
169.10121	26.7
171.11691	33.1
173.13271	42.6
175.14836	15.2
179.08589	10.3
180.09258	9.3
181.10104	17.5
182.10892	9.1
183.11691	22.5
185.13277	21.4
187.14771	41.7
189.12717	7.3
193.10152	10.8
194.10901	8.4
195.11685	24.1
196.12383	6.3
197.13249	14.3
199.14821	19.9
201.12695	7.6
206.10861	7.6
206.77916	5.6
207.11684	10.8
208.12480	7.3
209.13303	27.6
211.14894	11.2
219.11609	9.8
221.13251	18.3
223.14760	8.6
235.14838	12.8
237.16354	8.8
251.17836	7.6
261.16367	7.6
265.19571	9.6
323.51489	5.3
343.23911	8.3
401.13757	17.2
401.17688	22.1
401.28311	44.5
401.38428	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	402.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53941	2.6
58.99577	8.8
61.01156	7.4
69.07071	11.9
71.54822	2.9
73.01150	27.5
78.89890	2.3
79.05495	8.8
94.31049	2.4
95.08588	3.5
97.06535	13.2
98.21432	2.3
99.02631	3.2
101.04235	12.1
102.96761	5.9
103.97552	12.5
104.98348	12.1
111.02672	5.9
112.03452	5.8
113.04239	100.0
114.05021	2.3
117.04532	2.4
129.03728	26.0
129.43335	2.4
130.04572	3.6
131.05309	5.8
136.95499	21.5
142.99815	4.3
144.00627	4.0
145.01425	7.5
161.00949	5.1
171.08421	5.6
213.43491	2.3
227.12100	2.6
245.93765	2.7
267.00067	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	401.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
57.05203	2.5
57.05556	2.5
67.05488	3.5
69.07094	4.0
69.54861	18.7
78.57143	2.2
79.05480	4.2
81.07053	5.1
83.10691	2.5
91.05502	5.5
93.07055	8.1
95.04949	3.9
95.08582	2.7
96.19523	2.4
97.01064	2.7
98.20821	5.0
99.04465	7.7
103.05479	10.6
104.98315	5.5
107.08577	2.9
107.69591	2.3
113.04230	6.9
121.06519	100.0
127.03928	23.4
137.02376	19.6
139.05779	3.7
167.07057	3.2
233.08057	6.5
351.20963	3.1
399.97845	2.7
420.85040	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	401.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68367	0.3
56.05022	1.0
57.33144	0.3
61.02925	0.6
65.03931	1.2
69.03434	1.5
70.06598	3.0
71.29911	0.7
72.08159	0.7
81.03423	0.8
84.04510	23.5
84.08160	0.4
85.02914	3.8
86.09704	0.9
92.05010	4.4
97.02889	1.8
98.06071	0.6
99.36414	0.4
102.05564	0.6
110.06050	100.0
111.04469	0.8
111.06377	0.8
112.15836	0.4
126.05554	1.1
127.03965	0.7
130.05014	11.7
145.04988	0.4
153.12361	0.3
158.06039	1.1
173.09239	0.5
175.08685	0.9
176.07069	4.1
215.81496	0.5
220.06052	0.4
221.09309	1.7
222.07611	2.8
239.10278	20.8
250.82512	0.3
256.08087	0.4
288.64041	0.4
317.19949	0.4
401.28711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.01876	0.6
55.05515	7.1
56.05042	1.1
57.03441	0.9
57.05820	1.4
59.53046	0.4
61.01159	1.0
68.69792	0.4
69.03436	5.3
69.07083	2.3
69.59659	3.0
70.03109	0.6
70.06596	4.6
72.08163	100.0
73.01150	1.0
73.08482	0.8
76.02271	0.5
76.23785	0.5
79.05500	2.4
81.03448	0.5
81.07066	0.6
84.04535	0.9
84.08159	4.5
85.02911	6.0
86.09715	31.2
87.04508	0.5
88.04014	0.6
89.00581	0.5
91.05502	1.9
95.01340	6.9
95.04984	2.2
96.97824	1.6
97.02905	0.9
97.06548	1.5
98.21523	0.9
103.03949	0.8
104.98351	1.0
105.07074	0.5
107.04963	4.7
107.08652	0.6
109.02885	0.5
109.06516	0.6
110.07162	0.6
113.02367	0.9
113.06031	0.8
115.05469	0.5
116.01717	0.4
116.07129	0.7
117.07027	0.7
118.08715	0.4
119.04932	0.7
120.08159	1.2
122.03689	0.6
123.04460	0.9
124.05290	0.8
125.02392	0.6
125.06004	7.2
127.03939	1.1
128.06209	0.6
129.07085	0.5
129.10242	3.6
131.08597	1.4
132.10255	2.2
136.07623	0.5
137.06029	0.6
141.06996	0.8
143.07062	1.1
143.11809	17.8
144.05750	1.3
145.05002	0.5
145.06502	1.0
151.02127	0.6
151.03926	0.9
151.08823	0.5
153.05475	8.8
156.05759	1.9
159.08064	2.0
161.06015	0.8
162.02281	0.9
165.01816	0.8
165.09245	0.7
165.11058	0.6
167.07056	11.8
167.08400	0.6
168.98196	1.6
171.11304	25.4
173.06065	0.6
175.10791	0.8
180.99564	1.0
184.05325	0.6
186.06810	0.7
187.06114	0.6
187.07599	0.8
189.12529	0.6
193.10435	0.6
195.06680	0.7
197.04524	3.0
197.06108	0.7
199.18086	6.3
202.06195	0.6
205.06839	0.6
205.08711	1.7
207.06552	0.8
208.05263	2.5
211.07697	0.7
215.05515	9.2
215.07256	0.7
217.08606	4.9
218.07394	0.6
219.08121	1.5
219.10033	1.2
220.08739	0.6
221.06105	0.5
225.16006	4.3
227.17610	2.3
229.08665	0.7
231.08115	1.0
231.10316	0.6
231.17052	16.8
233.09714	0.8
235.07622	1.0
236.04843	1.0
238.10869	1.0
239.07259	0.7
239.11172	1.8
241.08755	0.6
247.07579	2.0
247.09837	3.1
248.08339	1.5
249.09189	0.6
254.05820	1.1
256.07596	0.7
261.09277	0.8
262.10031	0.7
263.10748	1.1
264.07800	1.2
265.08725	1.0
266.05792	0.5
267.06720	1.2
268.03656	0.6
269.08148	3.2
270.18152	5.6
271.09677	1.1
275.07285	1.3
276.07919	0.7
277.08585	0.7
279.10309	1.0
282.05356	0.9
282.09039	1.3
285.07700	0.6
288.19186	0.7
290.09555	0.9
291.10278	1.5
293.08279	1.4
305.08374	0.7
307.09808	1.4
308.10602	1.4
310.08502	1.0
315.08640	10.9
319.09879	1.5
320.10440	0.6
323.12967	1.9
328.09518	0.6
330.11014	10.0
331.11880	1.8
335.09280	0.6
336.09906	1.0
337.10828	0.8
339.12299	1.3
343.11893	2.6
351.12408	3.1
353.10382	1.2
368.12820	1.1
371.14746	0.8
383.14987	8.3
401.16397	2.0
401.28583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05841	1.6
57.03437	6.7
63.97631	1.4
69.03433	47.7
69.07087	1.6
69.46432	10.7
69.46846	2.1
70.06590	7.1
72.08152	10.1
77.49245	1.7
78.62025	2.2
79.05501	6.4
84.08160	4.0
85.02908	53.3
86.09691	15.9
95.01336	80.7
95.01948	4.0
95.04958	9.4
97.06523	9.5
103.03958	2.5
107.04957	4.2
113.02363	3.4
113.06049	4.6
115.03968	1.7
119.04983	2.2
122.99365	1.8
123.04416	6.1
125.06002	62.4
127.03952	4.8
129.10239	2.2
131.32457	1.7
136.72588	1.7
141.05486	2.2
143.07048	4.3
147.04405	12.8
151.03918	8.0
153.00172	1.9
153.05473	87.9
169.04903	3.1
175.57080	1.7
177.05515	3.7
180.99567	9.7
187.05991	4.2
197.04457	32.5
215.05511	100.0
229.27534	1.7
234.07632	6.9
242.65154	1.9
266.64096	1.8
276.00150	1.7
296.41510	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
56.05030	6.4
60.04527	2.6
61.01155	13.8
62.84909	0.9
64.36909	0.9
68.05030	6.7
70.06592	3.5
70.80005	2.3
70.80344	1.0
72.08150	2.0
74.00674	49.2
76.04003	2.8
83.06126	1.4
83.29140	0.9
84.04510	41.6
84.08169	1.5
85.02924	1.7
85.04030	7.5
86.09717	4.8
86.92792	1.1
88.04001	14.2
90.96806	1.2
92.01724	4.5
92.98335	100.0
96.04492	2.3
98.06060	1.2
107.87414	0.9
107.99408	58.7
110.07207	2.0
112.03974	4.2
113.03505	3.3
114.05540	12.5
119.99400	46.4
124.95547	1.3
125.06036	1.0
130.05019	32.3
131.04552	8.9
135.98819	1.0
142.05003	7.0
147.98883	2.0
153.05458	1.7
153.06586	1.1
155.08156	1.6
156.06610	1.3
167.99715	14.2
177.03304	33.3
177.04852	1.8
185.09283	3.0
189.03313	5.5
195.02534	2.3
199.07202	3.7
205.01067	1.2
208.01022	1.7
223.02078	49.1
225.03648	3.1
231.04556	1.2
249.03339	1.2
253.99806	6.5
271.02408	40.7
277.03159	13.7
325.03452	16.2
400.06757	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	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14285	2.2
51.29206	2.2
53.03958	2.2
55.01873	2.6
55.05513	4.4
56.05040	4.7
57.03422	8.7
60.04527	2.6
61.02911	2.6
67.05521	2.1
69.03432	19.6
69.07085	3.5
70.00303	2.2
70.06252	2.8
70.06599	31.8
70.88938	5.0
71.05000	56.1
71.06924	2.4
72.08162	22.4
73.02927	2.9
74.06055	2.5
75.04461	7.3
79.05510	2.9
81.03431	2.6
81.07055	3.6
83.04968	8.0
84.04503	11.8
84.08157	25.5
85.02908	100.0
86.09704	33.7
87.04470	2.7
91.05472	3.9
92.98319	6.8
95.01327	28.4
95.04970	3.9
97.02884	8.8
97.06533	2.6
102.05536	4.2
106.05076	2.1
106.93481	2.0
107.99384	3.0
110.07150	7.0
111.04453	5.1
113.02331	3.2
114.45770	2.3
116.07104	8.3
120.08092	8.9
123.08072	7.4
125.02357	2.9
125.05991	18.5
126.42455	1.9
127.03906	7.8
129.05499	35.0
129.10254	16.9
130.04984	3.4
131.04788	2.3
134.06036	5.6
136.07571	3.6
138.00089	2.3
144.16144	2.4
145.04985	6.1
147.06564	18.8
147.07613	4.5
151.03902	3.4
151.07275	2.0
153.05481	22.1
163.06013	3.6
164.09149	4.7
173.09235	3.1
177.03300	3.0
180.99690	2.8
185.09859	5.2
194.74403	2.3
197.04466	9.3
215.05573	26.3
221.11700	2.3
239.12843	4.4
325.03876	2.3
387.62967	2.7
410.52979	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	400.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.6
55.05517	1.9
55.67096	1.8
56.05037	4.3
57.03427	8.2
59.54441	1.6
60.04549	3.1
67.01865	2.5
67.05508	4.8
69.03439	66.4
69.07068	4.1
70.06606	24.0
71.00700	4.2
71.08632	3.4
72.08158	6.1
72.41640	1.9
73.02926	41.0
74.02451	9.9
79.05495	6.7
81.24858	2.0
83.01378	2.6
83.04970	2.1
84.04514	5.5
84.08156	12.3
85.02913	53.5
85.10210	2.4
85.45605	2.0
86.00660	4.1
86.09715	16.8
87.05604	3.9
89.65632	1.8
90.05549	5.9
95.01342	100.0
95.05003	6.1
95.06129	1.9
96.04517	2.7
96.92417	5.6
97.02880	3.5
97.06551	11.4
98.97546	2.0
103.03949	3.8
105.97846	6.0
107.04964	2.6
110.07169	12.4
111.04442	5.9
112.07611	2.1
113.02403	2.8
113.06010	4.1
114.05510	1.8
116.07151	2.0
122.02817	2.8
123.04467	3.9
125.06007	79.5
127.03931	5.5
129.05431	1.9
129.10254	7.2
132.01205	4.4
136.07581	2.3
141.05444	5.6
142.04988	3.5
143.07033	3.3
145.30736	1.7
151.03952	2.6
151.98366	6.5
153.05486	85.2
153.06744	4.2
168.94460	9.4
185.97148	64.0
187.06000	2.3
215.05531	68.8
238.10725	2.3
382.00885	2.6
400.02036	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.7
57.03432	5.1
61.01167	3.7
67.05508	13.8
69.07076	58.7
69.52774	15.4
71.08660	7.0
73.01145	5.3
73.06566	7.1
79.05502	13.6
81.07071	21.6
83.08642	6.8
85.10140	3.4
91.05486	8.9
93.07068	13.3
95.08603	19.8
97.06548	12.0
98.20777	5.4
99.08096	3.8
104.98339	5.4
105.07028	18.8
107.08580	17.9
109.06542	5.0
109.10159	14.9
111.02708	4.3
111.04485	4.4
113.04243	21.5
115.07564	8.3
119.08588	10.4
121.10139	18.1
123.08061	5.8
125.09664	10.5
129.03665	3.2
131.08530	6.0
133.10141	8.7
135.11707	10.4
139.05849	5.6
142.99869	4.2
143.08595	5.4
145.10141	18.0
147.06621	3.4
147.11690	10.0
149.13287	7.2
159.11700	10.5
161.13295	33.1
162.13620	3.1
173.13324	9.1
175.14870	6.4
181.12370	5.0
183.03006	5.1
183.14148	3.1
189.16388	3.2
201.16460	3.3
211.28387	3.0
213.05759	2.9
215.17871	3.8
217.19562	10.8
255.21101	100.0
256.21497	4.7
285.25708	20.4
289.21475	4.0
299.47662	4.1
318.14404	3.1
332.81137	2.8
381.31754	14.5
399.32681	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	399.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43684	1.1
55.05518	4.9
57.03429	2.4
58.63987	1.0
67.05510	8.1
69.07073	49.6
69.74578	2.2
69.74978	2.5
73.06573	6.9
79.05502	7.2
81.07065	21.2
83.08614	4.2
85.06563	1.4
91.05472	6.7
93.07052	12.9
95.01551	1.0
95.04982	1.5
95.08618	14.5
97.06528	8.3
97.10158	1.5
99.08090	3.0
105.07040	19.7
107.08601	17.7
109.06516	2.3
109.10157	11.1
113.04227	2.3
115.07551	5.2
115.89981	0.9
117.07025	3.4
119.08574	9.5
121.06503	1.7
121.10159	15.8
123.08039	1.8
123.11715	3.1
125.09634	9.8
127.11202	2.7
131.08585	5.8
133.10156	7.0
135.08029	1.0
135.11713	12.2
137.13239	1.6
143.08620	2.7
145.10114	12.2
147.11697	10.5
149.13251	8.6
157.10063	1.2
159.11687	10.2
161.13268	26.3
163.11215	2.5
163.14861	2.1
165.92793	1.0
171.11705	1.8
173.13303	7.1
175.14868	3.0
177.16339	2.7
181.12263	4.1
185.13257	1.9
187.14920	1.2
189.16394	2.8
197.13293	1.1
199.14835	2.1
201.16429	2.5
203.17967	2.6
215.17989	5.2
217.19563	8.4
227.17958	1.0
253.19629	1.0
255.21097	100.0
256.21466	3.5
273.22073	1.6
283.24405	1.1
285.25769	15.9
347.97647	1.1
363.30228	1.1
381.31570	14.7
399.32593	36.4
400.32959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3259
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
51.02384	1.9
53.03941	3.9
55.01863	2.4
55.05516	16.4
57.07084	16.7
58.34794	1.7
64.65110	2.0
67.05506	21.4
69.03418	2.9
69.07078	36.7
71.08637	18.6
71.47668	3.3
79.05495	19.4
81.07066	53.2
83.04970	4.6
83.08619	11.1
85.10188	7.6
91.05471	24.0
93.07050	43.1
95.04955	5.9
95.08618	36.6
97.06515	3.2
97.10168	5.3
99.08090	5.4
103.05441	3.8
105.07047	34.9
107.08600	25.1
109.06538	2.9
109.10167	27.5
111.08102	2.4
111.11723	7.6
115.05468	2.1
117.07035	11.8
119.08593	25.7
121.06525	29.7
121.10159	16.8
123.11714	4.7
128.06213	4.3
129.07034	15.0
130.07747	2.2
131.08592	29.1
132.09273	2.0
133.10143	22.0
135.08093	2.5
135.11700	11.8
136.06192	1.9
137.09627	3.2
137.13181	2.8
139.07547	34.0
141.07010	6.9
142.07803	11.1
143.08571	26.4
145.10146	41.7
147.08083	4.1
147.11703	40.6
149.09644	6.0
149.13295	5.6
151.11124	2.8
152.13873	1.9
155.08568	21.0
156.09351	3.2
157.10129	40.0
159.11713	33.2
161.09601	6.4
161.13275	12.0
163.11220	3.6
163.14944	3.1
164.64209	1.9
167.08586	3.7
168.09381	3.1
169.10118	15.5
170.10925	2.1
171.11717	22.2
173.09641	8.6
173.13205	11.5
174.36978	2.0
175.11224	10.3
175.14825	3.3
177.12788	3.2
179.08548	2.8
179.17911	2.0
180.09314	2.8
181.10120	10.4
182.10927	3.6
183.11705	19.3
185.13249	21.2
186.13956	2.2
187.14864	7.5
189.12793	2.2
189.16350	3.4
194.10909	4.0
195.11697	12.4
196.12614	5.5
197.13185	17.4
198.13968	2.6
199.14828	12.3
201.12772	4.6
201.16449	5.9
203.14345	2.0
203.18024	2.7
208.12459	3.1
209.13263	18.9
211.14830	18.0
212.15425	3.3
213.16425	7.3
215.17923	2.9
221.13286	4.7
222.14186	3.6
223.14909	5.6
224.15570	3.1
225.16409	8.5
227.14340	6.8
227.17914	5.6
227.63733	1.9
229.15897	7.4
231.21252	2.2
235.14864	4.0
236.15527	2.4
237.16417	18.5
238.17076	2.4
239.17853	2.4
241.15955	6.2
241.19464	5.3
245.22551	3.4
249.16331	2.5
250.09503	2.6
251.17949	18.8
252.18810	2.9
253.19531	66.6
253.22154	3.9
255.17448	11.2
255.21030	5.6
261.25717	4.8
263.18018	3.4
265.19504	2.7
267.21277	2.4
269.18961	22.1
269.22025	2.3
269.22968	2.1
270.19913	3.4
271.20593	66.5
271.23636	4.5
272.20963	2.2
273.18604	3.7
278.20288	3.1
281.22714	5.1
287.20056	6.7
296.21420	3.6
299.23676	4.4
324.17993	2.1
353.32092	6.7
363.30457	32.9
381.31570	82.1
382.31793	2.3
399.32605	100.0
400.32785	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	398.976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39643	0.3
56.96571	8.7
67.90089	0.3
70.66669	0.9
70.67012	0.4
71.95277	2.2
75.09513	0.3
79.67496	0.3
91.96229	0.3
98.97591	75.0
116.98631	49.9
129.47517	0.3
130.93344	0.8
134.99669	18.8
140.00194	1.2
142.75612	0.3
149.01265	0.4
153.00697	2.0
158.01241	0.8
172.94357	2.7
174.97679	0.5
190.95424	3.9
197.95299	0.6
208.96452	0.9
209.73372	0.3
214.95341	2.1
232.96469	7.4
240.98825	0.5
241.93977	0.3
250.97530	3.6
256.96469	14.6
256.99228	0.7
258.99808	3.9
261.03256	0.7
273.99448	0.5
274.97525	100.0
275.97882	0.9
276.97824	0.5
277.00797	3.6
283.00003	0.7
288.99210	1.3
292.98584	57.9
293.98840	0.5
297.99124	3.3
298.97711	0.9
301.01059	0.7
303.00845	0.5
307.00241	0.8
316.00052	1.5
316.98782	1.1
317.02188	0.3
341.02472	0.4
357.03644	0.4
374.99005	0.4
398.97589	1.2
416.98792	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	399.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92669	0.8
55.01872	1.8
55.05512	0.9
56.05032	1.3
57.07071	1.2
58.06601	2.4
58.99582	1.7
59.63863	0.6
59.96753	0.7
61.01151	1.4
67.05513	2.6
69.03441	1.2
69.07084	3.4
69.18866	0.6
70.06116	0.7
70.06596	4.6
70.21253	2.3
71.08607	1.8
72.08159	0.9
73.01146	100.0
74.00659	0.8
74.01488	0.7
74.06068	0.6
75.02711	1.1
76.02233	1.2
79.05500	2.4
81.07052	3.9
81.35497	0.6
82.02531	0.8
84.04507	16.9
84.08145	2.6
85.02916	1.0
86.09718	2.8
86.99062	1.2
89.83823	0.7
91.05490	1.9
93.07047	1.6
95.08616	2.3
96.08137	2.8
97.02924	1.7
99.02695	1.5
102.05566	1.4
104.98332	3.4
105.00155	0.9
105.07064	2.3
106.99892	3.1
107.08595	1.0
109.06504	0.8
109.10105	0.8
110.07188	1.3
113.04268	1.7
116.05341	1.5
117.07378	1.7
119.08578	1.7
120.08082	0.9
121.10187	1.4
122.02735	7.0
124.07602	1.7
129.10312	1.3
130.05009	6.1
131.08574	1.4
133.10158	1.4
136.06229	2.2
142.03255	1.2
142.08687	1.6
143.08647	1.0
145.03195	14.3
145.04326	0.9
145.10129	2.0
147.11690	1.7
149.04549	29.0
157.10143	1.9
159.11751	1.5
162.05865	13.8
170.08138	13.9
171.11731	1.5
177.00568	0.7
184.18776	0.7
188.03778	1.5
194.03012	1.3
197.13275	0.8
208.29881	0.7
234.04410	2.7
242.62102	0.7
249.05370	3.7
250.09450	2.3
251.07018	4.9
253.19643	2.5
269.18945	1.1
271.20688	2.3
291.10132	11.1
323.07404	0.8
381.31427	1.8
399.32806	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	399.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.05297	2.3
55.05519	20.9
56.05030	4.1
57.07087	18.6
58.25475	2.3
59.32804	2.3
61.01137	2.4
67.05511	27.5
69.03442	6.0
69.07076	40.1
70.06599	15.7
70.75977	2.4
71.08635	17.6
71.56112	4.3
72.08150	5.2
72.71291	2.6
73.01155	3.7
79.05499	22.8
81.03378	3.3
81.07066	59.7
82.95210	2.2
83.04967	3.2
83.08628	12.3
84.04486	4.3
84.08144	6.6
85.02905	4.4
85.06538	2.7
85.10175	7.9
86.09714	14.4
86.46980	2.2
91.05489	29.5
92.50535	2.5
93.07058	42.7
93.07619	3.8
95.04983	7.7
95.08053	3.5
95.08616	38.1
97.02894	8.6
97.06535	5.4
97.10191	7.3
98.97585	14.4
98.98391	2.8
99.08085	6.1
101.04229	2.5
102.05513	4.5
103.05452	3.7
104.98330	6.9
105.07039	36.0
107.08599	35.2
109.10177	22.7
111.08067	3.3
111.11701	6.9
113.04272	2.6
116.98611	10.5
117.07012	12.3
119.08591	31.5
120.08129	4.2
121.06509	31.1
121.10151	23.8
123.08060	5.4
123.11683	11.5
125.09667	4.1
128.06270	6.5
129.05568	2.4
129.07008	13.2
129.10211	3.5
130.07848	3.5
131.08574	34.1
133.10139	29.0
134.99649	7.1
135.08054	4.1
135.11731	14.3
136.06195	10.1
137.13280	3.9
139.07550	37.3
141.07027	4.5
142.07756	8.1
143.08563	27.4
145.10147	47.9
147.08070	4.8
147.11696	32.4
149.09654	6.4
149.13248	9.1
155.08548	18.0
157.10150	49.0
158.10625	2.5
159.11705	40.0
161.09633	4.9
161.13269	14.4
163.11162	2.6
167.08585	7.3
169.10175	13.1
171.11658	17.6
173.09659	10.5
173.13316	18.9
175.11197	10.7
175.14757	4.6
181.10098	7.9
182.11015	2.4
183.11736	20.3
185.13272	18.6
187.11217	3.1
187.14845	8.5
189.16441	2.8
191.14395	3.8
193.10191	3.0
195.11742	13.4
197.13245	13.7
199.14903	12.5
201.12740	6.9
201.16415	5.2
203.17819	2.8
205.99246	5.5
209.13316	10.4
211.14828	19.2
212.15442	2.8
213.12773	4.2
213.16429	8.6
215.18062	3.3
219.21176	3.1
222.14108	3.2
223.14845	5.9
225.16463	9.1
227.14337	8.2
227.17993	8.3
229.15924	8.8
237.16365	20.9
239.17999	3.5
241.19525	4.8
249.16393	3.9
250.09427	8.4
251.18069	12.8
252.18730	6.0
253.19547	38.7
255.17485	8.3
255.21037	9.0
257.22855	2.7
261.25790	4.2
263.18140	3.8
269.19009	15.3
271.20605	49.9
279.21027	2.7
281.22635	9.6
287.20132	7.0
299.23660	6.7
301.15881	3.9
301.40436	2.4
334.65549	2.4
353.32208	7.0
355.29874	3.2
363.30573	34.4
381.31549	73.5
382.31668	4.2
399.32593	100.0
400.32825	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	397.3105
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
50.16359	1.5
55.05516	6.7
57.03417	3.2
58.99593	2.5
61.01154	2.3
65.03956	1.9
66.94045	1.8
67.05517	9.5
69.03434	2.5
69.07076	32.5
69.95397	10.1
73.01144	2.3
73.06562	2.0
76.54552	2.2
79.05515	9.3
81.07063	22.2
83.08611	4.0
91.05470	14.4
93.07054	12.1
95.04988	3.1
95.08618	11.9
97.06541	4.6
98.21363	2.3
99.02695	3.1
99.08099	3.9
104.98315	3.4
105.07051	20.0
107.08604	10.5
109.06527	4.4
109.10152	11.9
111.02646	3.8
111.95311	1.8
112.03466	3.7
113.04308	10.8
115.07582	4.1
117.07049	4.1
119.08592	100.0
119.09460	4.7
121.06520	3.5
121.10153	7.0
123.08067	2.2
123.11711	3.7
125.09637	6.2
127.11222	3.1
129.03694	3.1
129.06990	3.1
131.08572	6.5
133.10147	11.1
135.11682	8.2
136.95503	3.0
138.70163	1.8
139.05754	2.3
143.08542	11.6
145.01424	2.3
145.10124	12.0
147.11710	20.4
149.13275	4.4
155.08508	2.2
157.10159	11.6
157.82773	2.0
159.11717	19.0
161.13304	11.6
162.72014	2.1
169.10110	3.4
171.11729	10.6
173.13246	4.9
175.14838	4.7
181.12280	4.7
183.11713	3.1
185.13322	3.6
187.14839	2.2
195.11650	1.8
197.13261	4.6
199.14806	3.4
201.16516	2.4
209.13249	2.5
211.14790	3.8
212.89473	1.9
213.16286	4.9
215.17976	18.4
225.16402	2.2
249.16460	1.9
253.19559	50.2
271.20563	2.7
283.24149	7.7
379.29962	12.4
397.31046	40.5
398.31421	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	398.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
56.05024	2.3
58.99600	5.2
69.50658	5.4
70.06584	3.1
71.06120	1.3
72.08153	1.1
73.01145	1.8
73.37107	0.8
74.00674	36.7
74.02457	1.7
75.01447	0.9
76.01833	1.6
76.02238	26.1
76.04011	36.7
78.72224	0.9
83.06110	1.5
84.04510	39.2
84.08125	4.6
85.02914	1.5
85.04044	12.0
86.00635	2.0
86.09711	3.0
92.01685	2.3
97.02895	1.1
100.02195	2.2
102.00135	34.2
102.05553	1.7
105.78708	1.0
110.07192	7.3
110.49213	1.1
112.03976	5.5
113.03512	2.8
114.00122	1.4
114.03732	1.4
116.01681	2.5
116.03326	2.4
116.07097	1.3
118.03271	1.4
120.01167	1.9
129.06601	1.4
129.10252	2.6
130.03232	1.8
130.05016	29.1
131.04541	12.8
131.05411	1.6
132.01199	1.3
139.03255	4.2
140.01639	1.4
141.04855	1.0
141.99593	1.3
142.03218	2.0
145.06107	1.4
147.05888	4.8
149.03711	1.0
151.98344	1.6
153.06554	1.9
156.07748	1.5
159.02296	1.5
160.00664	25.1
166.03549	7.1
167.02751	3.2
168.01186	1.3
177.03308	100.0
185.03821	8.5
186.02194	1.4
187.05426	1.8
209.00514	8.3
213.03270	5.6
217.06416	3.1
217.63229	0.9
219.06056	2.5
231.04353	13.6
242.05952	1.1
243.04427	1.3
251.03105	2.0
268.07816	5.2
269.06305	7.0
288.03305	1.2
288.06497	2.9
306.07553	16.9
323.07346	2.1
380.13095	1.8
398.20255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01858	2.4
55.05503	7.4
55.61292	1.9
56.05013	1.9
56.13022	1.8
57.07060	6.1
58.06619	3.5
58.99589	12.8
61.01165	13.9
67.05499	12.0
68.05029	1.9
69.03439	5.0
69.07081	10.8
70.06582	7.6
70.15473	3.7
70.15864	5.2
71.08637	15.8
73.01129	11.3
73.02898	2.1
79.05502	21.4
81.07064	100.0
83.04981	3.6
83.06142	3.8
83.08609	5.8
84.04513	28.6
84.08135	8.3
85.02858	2.1
85.06539	2.3
85.64812	2.1
86.09702	6.1
91.05470	15.7
93.07042	18.8
95.04947	4.4
95.08615	15.1
96.08120	9.1
97.06512	4.2
99.08105	9.5
100.11246	7.0
101.04205	3.7
104.98326	50.9
105.07044	31.5
107.08592	16.7
109.06515	3.9
109.10165	9.4
110.07150	2.0
111.02696	2.3
113.04222	7.2
114.09130	2.9
115.05813	21.0
117.07017	9.1
119.04929	2.6
119.08597	17.6
119.90929	2.4
120.01163	2.5
120.08150	2.9
121.06495	5.9
121.10141	10.6
124.07571	5.7
128.06221	4.5
129.06958	7.1
129.10318	2.3
130.04990	7.9
130.07767	5.5
131.08571	18.5
133.10153	19.7
135.08032	6.1
135.11659	3.1
136.97295	2.4
137.09628	5.0
141.06998	2.8
141.11569	2.2
142.07712	4.4
143.08577	21.6
145.01434	3.9
145.10141	49.1
147.02972	8.6
147.11702	23.6
147.12839	3.3
149.09602	3.1
149.13213	2.5
153.06638	2.2
153.99948	4.9
155.08546	11.3
157.10168	16.7
159.11722	11.6
161.09639	4.6
161.13257	4.8
163.02480	2.5
165.06989	2.7
165.12630	2.5
167.08502	4.1
168.09264	2.1
169.10141	13.9
170.08168	23.7
171.08124	2.8
171.11639	14.3
173.13261	4.6
177.00363	3.1
179.08745	2.8
180.09367	3.5
181.10117	9.2
182.10820	3.0
183.11745	10.9
185.09593	3.0
185.13254	14.3
187.11229	5.4
187.14680	2.7
194.03069	10.7
195.11707	26.5
197.13300	5.5
199.07240	2.1
199.14865	20.8
200.15497	9.4
202.81386	2.1
209.13336	13.4
210.14018	36.6
211.14774	6.8
213.16382	4.5
223.14792	4.6
225.16362	4.1
227.14317	8.7
227.17917	4.8
228.15028	6.5
239.17812	3.1
241.19510	26.8
249.05392	7.4
251.17986	71.4
252.18414	3.0
253.19490	5.1
266.01404	3.1
269.19034	87.5
281.22620	4.5
283.04214	4.1
323.07434	11.3
361.28839	2.3
379.30023	15.3
397.09128	3.4
397.23267	3.3
397.31152	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	397.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
55.05503	3.5
56.05030	1.2
58.06590	3.9
58.99588	7.9
60.04529	1.5
61.01152	33.7
65.03942	1.1
67.05493	3.3
68.60630	1.1
69.03430	1.7
69.07069	3.8
70.06593	3.4
70.99570	2.9
71.55057	1.8
72.08157	1.4
73.01133	20.7
76.02206	1.9
79.05498	3.9
81.07035	5.7
83.04938	1.5
83.06152	1.8
83.08598	6.3
84.04507	23.1
84.08138	2.8
85.01110	2.1
85.02908	1.4
86.09705	3.1
86.99065	1.7
87.02695	6.4
91.05440	2.3
93.07032	2.9
95.04974	1.5
95.08587	2.9
96.08135	3.2
97.06542	1.4
99.02685	4.4
100.11246	3.8
101.04251	8.4
104.98319	100.0
105.00131	2.5
105.07027	2.8
109.10136	1.6
111.99534	1.5
113.04250	8.2
115.05762	2.6
116.05302	3.2
117.07069	1.7
118.36351	1.3
118.99896	1.1
119.08559	2.4
120.08125	2.3
121.06480	1.4
122.02750	11.3
123.11708	1.3
124.07619	2.8
125.05933	1.2
129.10245	1.4
130.05045	8.0
131.08566	1.8
133.10092	1.3
137.05966	1.5
142.03232	2.2
145.01395	2.3
145.03189	20.2
145.10110	1.9
147.02974	39.0
147.11679	2.4
157.10162	3.1
159.11610	1.3
162.05864	18.8
168.13855	1.6
170.02707	1.1
170.08122	17.8
171.11638	1.8
179.00131	2.2
182.15378	1.8
183.11649	1.4
188.03859	2.8
194.03061	1.7
209.16516	1.3
234.04404	3.0
238.59595	1.3
249.05431	2.6
251.06990	7.3
253.19438	1.6
274.07590	1.4
291.10059	13.4
339.63330	1.2
379.33734	1.9
397.30807	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05509	1.9
58.99601	5.6
59.19257	1.2
61.01165	1.4
67.05498	3.2
69.03459	1.3
69.06789	1.1
69.07081	11.2
69.46328	9.0
70.06582	2.3
72.08146	1.4
73.01142	4.0
79.05506	11.6
81.07053	2.4
82.80679	1.1
84.08145	2.3
85.01126	2.4
87.02686	1.6
88.02219	4.1
90.01369	1.5
91.05519	1.1
95.01336	1.5
95.04954	2.1
95.08621	1.7
96.05727	1.4
97.01131	2.2
97.06536	6.7
98.01915	1.7
99.02676	7.5
101.04243	8.9
104.98327	3.4
105.07018	1.2
111.02688	6.9
112.03477	15.8
113.04244	100.0
114.05026	2.1
115.02119	1.6
116.05333	5.6
122.99381	1.4
125.06033	1.3
127.02153	1.8
129.03723	7.2
130.04488	7.1
131.05249	3.2
133.01407	3.5
136.95428	1.3
142.99896	2.3
144.00681	1.2
145.01419	20.1
148.02519	1.6
157.10071	1.2
161.00917	1.8
163.02518	3.2
176.98708	2.2
177.99406	2.4
182.01360	1.4
194.99702	12.3
307.03116	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	396.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.05502	0.4
56.05043	3.1
62.26399	0.3
62.39558	0.4
65.49796	0.4
66.23145	0.4
69.03448	0.6
69.07063	1.1
70.02950	0.9
70.06602	2.6
71.19773	0.4
72.08162	6.3
74.00693	0.6
74.06090	5.6
84.04514	12.8
84.08157	3.1
85.02912	0.6
86.09716	8.4
88.04006	2.2
91.05472	2.1
92.05805	0.4
93.07049	1.3
95.04977	0.7
96.04488	0.4
96.08160	0.4
97.04012	0.5
98.02441	0.5
98.21454	0.9
102.05549	10.5
103.05466	4.7
110.07171	0.9
119.04942	0.9
120.06620	6.6
120.08116	100.0
121.08448	1.4
123.04432	0.4
127.08691	2.0
129.10260	1.4
130.05016	3.2
131.04909	0.6
136.07590	10.2
140.07091	2.4
141.06561	0.6
142.08643	1.4
147.04384	0.6
154.43088	0.4
165.05505	0.6
166.08626	3.6
168.06512	0.5
169.09694	0.7
182.08215	1.5
185.05595	2.0
185.09317	1.0
186.09172	4.3
187.10812	6.3
203.06630	1.3
204.10286	0.6
213.08755	5.0
215.10373	1.2
231.06155	1.0
231.09731	5.8
231.11452	0.6
249.12419	20.9
249.16029	3.4
265.11813	0.7
277.11874	12.4
277.15100	0.8
332.49518	0.4
360.15543	1.5
365.19479	0.4
373.04404	0.5
378.16464	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05956	0.7
55.80219	0.9
58.99580	5.2
63.53682	0.8
65.03909	1.0
67.05511	2.0
69.07073	8.1
71.01216	1.4
73.01157	4.0
73.84980	0.9
77.38052	0.7
79.05494	9.3
81.07028	0.9
83.08659	0.8
85.01187	1.1
87.02689	0.9
90.01397	1.4
95.04987	2.2
96.05762	1.0
97.01115	2.4
97.06546	5.6
98.01924	1.3
99.02691	8.1
101.04250	9.6
104.98340	1.2
111.02677	7.0
112.03461	17.3
113.04240	100.0
114.05093	3.9
115.02166	1.9
115.05798	2.4
129.03737	4.6
130.04500	7.5
131.05267	2.2
133.01404	4.2
136.95520	1.1
142.99901	1.5
145.01422	19.1
161.00935	1.1
163.02530	2.4
171.12004	0.9
176.98682	1.7
177.99385	2.2
194.15065	0.8
194.99709	10.4
307.03339	1.1
319.81873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	16.3
57.07073	9.1
63.96365	2.4
67.05508	20.2
69.07076	32.4
70.60214	2.5
71.01026	5.2
71.08656	6.0
74.48308	2.5
79.05495	14.9
80.52563	2.7
81.07056	40.8
83.08626	19.3
85.10184	5.8
89.06046	4.5
91.05479	12.2
93.07041	24.4
95.08617	41.9
97.10181	7.3
105.07011	21.3
107.08601	22.1
109.10168	34.8
111.11718	6.5
117.07033	3.3
119.08601	25.2
121.10129	21.0
123.11738	15.2
131.08585	9.5
133.10133	18.0
135.11711	23.7
137.13246	8.4
145.10165	14.4
147.11697	50.1
149.13226	15.2
151.14824	4.6
159.11708	23.0
161.13271	44.8
163.14839	12.7
173.13260	20.0
175.14857	13.0
177.16508	4.4
185.13326	4.1
187.14888	9.1
189.16351	4.7
199.14857	3.6
200.15797	2.9
201.16443	5.2
203.17940	4.7
205.94144	2.8
213.16426	7.5
215.17947	8.4
229.19598	6.7
241.19504	4.0
255.21069	6.4
257.22635	5.0
297.25699	4.6
299.26974	3.3
311.27420	4.4
395.36749	100.0
395.52206	3.2
396.37369	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	395.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73028	1.0
54.15422	0.9
56.96567	88.5
69.88070	5.5
71.95261	2.7
72.08133	1.0
72.64815	0.9
73.01128	1.1
73.76390	1.1
74.38433	0.9
74.41458	1.1
74.97640	2.9
84.08141	1.1
84.96036	13.0
88.93762	10.9
98.97581	3.0
110.97591	2.8
112.99144	2.5
115.00697	1.3
116.93233	3.8
118.08439	1.1
118.94752	1.5
120.08101	1.2
128.96857	3.2
128.98584	1.7
129.93973	2.9
131.00192	3.5
134.94258	1.6
136.07611	2.4
141.02240	7.7
146.97881	61.4
147.95016	3.5
159.03282	5.5
164.98955	68.9
169.01617	1.0
170.67514	1.2
170.97847	8.0
172.99460	1.6
174.99184	1.5
177.04260	1.0
182.99988	11.3
187.02751	1.6
188.00485	1.2
188.98955	38.7
191.00470	5.6
207.00008	50.9
209.01593	1.5
212.00745	1.1
216.98381	7.0
225.01079	3.9
234.99489	75.1
235.99698	1.3
253.00560	100.0
258.01013	3.4
271.01599	3.4
276.02103	1.6
304.99881	11.1
306.99994	1.3
323.01111	5.5
349.00864	3.5
377.00363	5.1
394.96228	1.5
395.01453	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.03
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
54.52385	1.1
57.59826	1.0
58.99586	3.5
65.03951	1.1
65.26767	1.2
66.12582	1.2
67.05523	5.6
69.07075	9.4
69.77020	6.7
70.64534	1.1
73.01147	7.0
77.73222	1.0
79.05504	10.5
81.07088	1.6
85.01130	2.6
93.07078	1.2
95.04976	3.0
95.08614	1.7
97.01130	4.1
97.06536	5.1
98.01913	4.1
98.20689	1.1
99.02686	11.2
101.04265	5.7
103.97528	1.8
104.98321	3.7
105.06992	1.6
107.08639	1.4
109.10179	1.3
110.93941	1.3
111.02676	50.8
112.03477	8.2
113.04242	100.0
119.08559	1.3
120.40829	1.0
125.04219	15.7
127.02235	1.3
129.03737	8.1
130.99869	2.7
131.05246	2.2
136.95451	2.8
137.05957	1.7
138.95052	2.7
142.99864	35.7
144.00644	5.2
145.01410	6.7
145.10149	1.2
147.02989	2.5
157.10190	1.1
158.99341	7.8
161.00975	1.9
173.26181	1.0
174.97073	13.5
181.10359	1.2
192.98134	2.5
209.09955	2.2
228.96558	1.4
241.07040	1.4
317.35922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2942
Annotation	7,8-Didehydro-beta-micropteroxanthin
Peak:m/z	Relative Intensity
55.05502	12.0
58.93600	3.9
58.99605	5.2
67.05508	21.2
69.07073	89.9
71.55459	3.7
71.55857	8.1
73.01151	7.5
73.06560	14.0
73.57285	4.1
79.05495	15.4
81.07061	52.5
91.05476	14.3
93.07029	13.1
95.04933	7.1
95.08602	12.1
97.06535	18.6
99.08083	4.4
104.98302	6.9
105.07049	19.0
107.08622	18.8
109.10155	5.3
112.03450	4.1
113.04237	20.5
115.07570	8.0
119.08585	16.9
121.10143	13.2
131.08574	17.2
133.10133	12.0
136.95403	4.6
142.07787	4.8
143.08557	15.6
145.10130	20.7
147.11700	12.0
153.05489	5.3
155.08534	16.3
157.10167	26.6
159.11723	17.7
171.11746	10.7
173.13243	6.0
181.10194	5.0
183.11726	12.2
185.13251	4.6
195.11726	9.5
197.13358	7.7
199.14986	4.1
200.20798	4.1
209.13292	11.0
211.14880	7.9
213.16353	8.7
223.14911	7.0
236.15463	4.8
240.98402	4.0
251.17928	100.0
253.19667	5.5
269.18845	10.9
279.20959	5.2
281.22684	20.1
315.50162	3.9
321.54083	4.2
377.28268	16.8
395.29514	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	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26408	1.2
50.98140	1.2
52.37980	1.1
53.03940	4.3
53.19892	1.2
53.57844	1.3
54.29818	1.2
55.01865	5.5
55.05520	9.2
57.03427	5.1
61.02929	6.3
62.99059	4.9
67.05501	4.1
68.99788	2.3
69.03079	2.7
69.03432	34.8
69.07075	46.7
70.06599	6.3
71.05011	2.5
71.13116	3.1
72.08139	2.2
73.01155	1.8
73.02901	4.8
79.05482	2.7
81.02974	1.9
81.03423	20.7
81.07051	2.2
83.04996	1.9
84.08134	1.6
85.02913	100.0
86.03240	1.3
86.09699	3.5
87.00304	2.9
87.00837	50.2
91.03979	1.3
91.05474	1.9
93.07018	2.0
95.01333	4.1
95.04955	2.2
97.02289	1.9
97.02903	35.9
97.06564	2.2
98.03199	1.4
99.04471	10.7
101.02361	1.4
102.11481	1.3
103.03887	1.5
105.01875	77.8
105.07087	1.3
107.01657	16.7
108.04478	3.3
109.02890	21.5
109.10107	2.1
110.09722	1.4
110.93921	2.1
111.02644	1.4
111.11707	4.9
111.68102	1.2
113.04251	7.5
115.03880	1.9
120.08134	2.2
125.06026	1.8
126.65654	1.4
127.03934	67.5
129.03693	2.6
129.10236	1.7
135.01120	6.7
136.01479	2.3
145.04971	36.3
147.02858	2.6
153.05493	1.9
154.05864	1.3
159.02879	11.8
159.09146	2.4
162.69017	1.3
171.02882	1.7
175.34949	1.5
189.03873	4.1
194.46693	1.2
198.71880	1.2
201.10139	3.4
213.03926	2.8
215.05472	1.8
231.05022	21.6
249.06117	8.3
251.17543	2.8
262.10257	1.7
263.51813	1.4
394.34442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
58.06601	1.7
60.08165	2.1
67.04247	2.3
69.07072	3.2
70.02953	1.8
70.06607	4.0
72.08155	3.1
73.02920	3.8
81.03423	0.8
84.04462	0.6
84.08158	1.7
85.02917	0.9
85.04035	1.2
86.09708	68.1
88.03990	10.7
93.07015	0.9
96.04479	1.2
96.08128	4.4
97.02898	0.9
98.02424	3.3
98.20730	1.9
99.01418	0.9
99.04504	0.9
100.03981	5.7
102.64302	0.8
103.05476	2.0
109.02888	1.4
110.07174	1.0
110.09718	0.9
111.02690	1.2
113.10760	3.0
116.68649	0.7
119.15885	0.7
120.08114	42.2
121.08415	1.6
125.01729	4.9
125.58854	0.8
126.02527	1.0
127.03263	3.0
127.04993	0.7
129.03734	0.9
130.06549	1.4
138.09108	6.5
141.10239	11.8
155.11812	1.9
156.10201	11.6
166.08641	19.6
167.06366	5.3
173.02101	1.1
183.11313	9.3
184.09706	2.2
185.09821	3.5
192.08516	1.2
201.12352	100.0
202.12685	1.0
212.09026	0.8
217.74138	1.0
223.03586	1.4
226.13745	6.1
229.11826	17.2
235.10895	3.9
237.05193	3.6
268.09515	0.8
279.17093	1.5
282.10934	3.0
335.03802	0.9
394.10913	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	394.1975
Annotation	Asp Ile Phe
Peak:m/z	Relative Intensity
53.03938	0.6
55.05505	1.6
56.05040	0.8
56.96554	0.8
57.77758	0.5
58.06589	0.5
58.44746	0.6
60.08162	0.6
69.03424	1.5
69.07068	13.5
70.02969	1.1
70.03782	0.7
70.06592	7.0
71.55867	0.7
71.56263	0.9
72.08167	4.1
73.01132	0.6
74.06088	1.1
81.03426	2.4
81.07056	0.6
82.03741	1.1
84.04509	2.5
84.08144	5.0
85.02903	1.7
85.04031	1.7
85.08936	0.7
86.09708	75.5
87.10030	4.0
88.03996	14.4
91.05481	1.4
93.07055	1.4
95.04984	1.0
96.08135	7.3
97.02901	1.3
97.06540	0.9
98.02434	4.3
99.02676	0.5
99.04469	1.1
100.03953	0.7
102.05518	0.7
103.03960	0.7
103.05488	2.5
105.07047	0.9
107.04943	0.7
107.08601	0.8
109.02887	1.7
110.03192	1.1
110.07155	1.4
110.09683	2.4
113.10776	2.1
115.05077	1.1
116.05313	0.6
116.07104	2.0
119.04922	0.8
120.08107	36.4
121.06477	0.7
121.08441	1.7
124.07531	0.8
127.03931	2.0
128.04294	0.9
129.10251	2.6
130.06540	1.1
130.28056	0.5
131.04929	1.0
133.06094	2.1
135.04428	0.6
136.06267	0.8
136.07500	0.7
138.09143	2.1
141.10234	12.8
142.08636	1.7
145.10184	0.7
147.03064	0.5
147.04398	3.3
149.05896	0.7
155.11781	1.6
156.10207	21.0
159.09210	0.6
163.11179	0.8
166.08632	13.5
167.06296	0.7
167.08975	0.6
173.12903	1.8
183.11285	5.0
184.09862	2.7
200.13972	1.5
201.12350	100.0
202.12633	1.2
215.14363	0.7
229.11836	10.9
229.13916	1.1
235.10818	2.6
237.05251	0.6
263.10297	1.9
263.14020	0.6
279.17133	0.7
394.10794	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	394.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.4
56.05022	2.0
58.99591	2.8
69.03436	100.0
70.06592	1.8
70.61320	4.8
73.01151	7.7
74.00677	17.8
76.02206	1.6
83.06096	5.9
84.04510	55.5
85.02922	2.5
86.99045	2.0
88.02210	4.2
91.02206	3.4
95.06176	1.5
99.02689	36.7
99.05572	1.8
101.04238	4.2
109.20035	1.5
111.06654	1.5
112.03970	10.3
116.01688	29.3
116.05328	21.6
116.85816	1.7
117.03722	4.9
119.01650	37.1
126.03728	2.0
127.02144	22.1
128.04849	1.8
129.06618	11.5
130.05016	31.1
144.01154	42.9
144.03703	3.4
144.04794	44.0
144.05916	2.3
145.03192	2.5
145.06082	1.8
160.00667	2.4
162.02194	5.4
162.04488	3.9
162.05856	72.2
172.04277	13.9
172.31042	1.8
173.53809	1.7
181.06241	2.7
202.05406	2.8
229.06517	2.6
230.04832	51.6
247.07462	13.4
248.05901	78.0
265.08551	66.9
273.09085	1.9
287.40817	1.6
301.08810	3.2
319.09558	20.1
377.10208	2.3
394.12671	8.3
408.55884	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	394.1975
Annotation	Glu-Phe-Val
Peak:m/z	Relative Intensity
50.00883	0.7
55.05516	8.1
56.05048	4.9
56.69635	0.7
57.05812	1.5
58.06615	1.5
61.01156	0.9
67.05514	0.9
69.07066	1.6
70.05211	2.5
70.05619	1.2
70.06604	9.6
72.08163	100.0
73.08501	2.3
74.06081	2.1
81.03448	1.1
83.06109	0.8
84.04512	25.9
84.08155	8.2
85.02918	2.3
86.09716	14.6
86.99084	1.6
88.03977	0.8
91.05506	1.2
93.07098	1.0
95.04977	0.8
95.08683	0.8
100.07660	0.8
101.07174	1.1
102.05554	18.9
103.05479	2.1
104.05362	1.1
110.07189	2.3
110.09705	1.7
118.08685	1.9
120.08118	55.0
121.08509	1.4
124.04015	0.9
127.03195	1.1
127.04016	1.0
128.10791	0.8
129.10229	6.1
131.04955	0.9
136.07610	1.5
138.05577	1.0
138.09177	5.0
143.11855	2.2
144.12024	0.7
146.08775	0.8
147.11304	0.9
151.76874	0.8
155.11879	1.3
156.10204	5.2
166.08659	27.0
169.13432	0.9
171.11336	0.8
173.09241	0.8
173.12878	4.2
183.11313	14.0
184.06155	1.0
186.09239	1.7
201.12369	42.9
211.10860	3.1
212.49533	0.7
217.13809	1.1
223.10812	0.8
224.11140	1.0
224.26509	0.7
229.11852	20.1
231.11316	4.3
233.16621	0.9
249.12306	1.0
255.99959	0.7
256.06491	2.0
265.15485	1.7
277.11914	6.8
295.12860	0.8
394.15060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03946	1.8
55.05505	0.7
56.05041	2.3
57.03442	0.4
58.06595	0.7
61.01145	1.3
65.07769	0.3
67.05512	0.4
69.03419	1.0
69.07072	1.7
70.06596	31.2
71.16994	0.3
71.55184	0.6
72.08161	6.1
74.00654	0.5
74.06081	0.6
77.03925	0.6
81.03405	0.8
81.07066	0.4
83.04960	0.3
84.04512	1.8
84.08143	2.8
84.97066	0.3
85.02905	0.7
85.03989	0.3
86.09709	15.4
86.28845	0.3
88.03958	0.4
88.47130	0.4
91.05492	7.7
93.07049	9.9
95.04987	3.1
97.02886	0.5
99.04478	0.5
103.05472	7.8
104.05312	4.0
104.05859	0.3
105.04531	0.7
105.07005	0.6
108.08118	0.8
110.07201	0.9
113.04260	0.5
113.24849	0.3
116.07098	0.4
119.04949	1.0
120.08107	6.4
121.06512	100.0
122.06879	0.9
129.10233	1.8
130.05000	0.8
132.08092	0.5
133.08446	0.4
136.07593	7.9
152.79330	0.3
153.01859	0.7
153.09029	0.6
153.10239	9.8
154.03276	0.7
164.01639	0.8
166.08675	2.8
182.02760	0.5
183.11299	0.5
192.01147	0.6
200.07150	0.5
201.10587	8.3
201.12398	1.9
210.02237	2.6
228.03256	1.8
229.10063	5.3
229.11955	2.4
235.10791	0.7
235.14462	3.9
246.07564	0.5
249.12251	0.4
256.02731	1.6
259.08353	1.0
259.33377	0.3
260.08524	2.3
263.13907	1.3
274.03818	13.8
281.11377	1.7
287.05566	0.4
297.12717	2.4
323.96451	0.3
376.13275	0.4
394.14142	4.8
394.35065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04641	1.2
53.03930	2.3
54.12709	1.2
55.05517	8.7
57.03431	5.7
57.07082	36.7
60.90583	1.0
63.52397	1.1
64.64278	1.1
65.03938	1.1
65.09473	1.3
67.05509	24.0
69.07079	10.9
69.57987	9.0
71.08634	24.1
79.05495	12.4
81.07064	33.7
83.05007	1.9
83.08633	13.4
85.06536	1.7
85.09788	1.2
85.10194	14.1
91.05489	19.2
93.07050	29.4
95.04977	20.3
95.08615	40.0
97.06543	5.9
97.10172	5.6
98.21430	2.7
98.98475	65.9
103.05431	1.8
105.07040	26.4
107.08606	16.6
109.06521	5.5
109.10182	17.0
111.08134	1.5
111.11712	2.0
115.05464	1.7
117.07019	7.8
119.07796	2.1
119.08598	34.4
121.06512	6.1
121.10156	11.4
123.08030	1.8
123.11726	7.7
128.06235	4.5
129.06998	5.1
130.07776	1.6
131.08597	12.9
133.10138	18.8
135.08029	2.3
135.11673	7.0
137.13268	2.7
141.06992	2.1
142.07805	6.9
143.08591	12.8
144.09326	2.9
145.10127	19.6
147.08043	1.8
147.11684	6.6
151.14793	1.5
151.64999	1.3
155.01056	100.0
155.08548	3.8
156.09375	5.3
157.10141	18.2
158.10889	2.5
159.08066	1.8
159.11702	17.0
161.09624	5.3
161.13252	3.5
163.11232	2.1
167.08630	2.5
169.10178	9.2
170.10918	2.4
171.11719	6.9
173.09645	1.8
173.13304	7.9
175.11221	2.7
175.14902	5.9
176.21141	1.6
179.08565	2.1
181.10172	3.6
182.10956	2.0
183.11732	6.6
185.13254	4.5
187.11203	3.5
187.14751	2.6
193.10219	2.1
194.11127	1.8
195.11766	2.8
196.12456	1.7
197.13242	5.5
199.14859	2.9
201.12749	1.8
201.16432	3.7
207.11662	1.7
208.12196	1.5
209.13210	3.8
211.14771	1.8
213.16408	2.3
221.13329	2.1
223.14780	1.7
225.16374	1.5
235.14854	1.8
236.64339	1.4
239.23776	7.0
241.19608	1.6
250.38902	1.4
337.20593	1.7
393.27789	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04641	1.2
53.03930	2.3
54.12709	1.2
55.05517	8.7
57.03431	5.7
57.07082	36.7
60.90583	1.0
63.52397	1.1
64.64278	1.1
65.03938	1.1
65.09473	1.3
67.05509	24.0
69.07079	10.9
69.57987	9.0
71.08634	24.1
79.05495	12.4
81.07064	33.7
83.05007	1.9
83.08633	13.4
85.06536	1.7
85.09788	1.2
85.10194	14.1
91.05489	19.2
93.07050	29.4
95.04977	20.3
95.08615	40.0
97.06543	5.9
97.10172	5.6
98.21430	2.7
98.98475	65.9
103.05431	1.8
105.07040	26.4
107.08606	16.6
109.06521	5.5
109.10182	17.0
111.08134	1.5
111.11712	2.0
115.05464	1.7
117.07019	7.8
119.07796	2.1
119.08598	34.4
121.06512	6.1
121.10156	11.4
123.08030	1.8
123.11726	7.7
128.06235	4.5
129.06998	5.1
130.07776	1.6
131.08597	12.9
133.10138	18.8
135.08029	2.3
135.11673	7.0
137.13268	2.7
141.06992	2.1
142.07805	6.9
143.08591	12.8
144.09326	2.9
145.10127	19.6
147.08043	1.8
147.11684	6.6
151.14793	1.5
151.64999	1.3
155.01056	100.0
155.08548	3.8
156.09375	5.3
157.10141	18.2
158.10889	2.5
159.08066	1.8
159.11702	17.0
161.09624	5.3
161.13252	3.5
163.11232	2.1
167.08630	2.5
169.10178	9.2
170.10918	2.4
171.11719	6.9
173.09645	1.8
173.13304	7.9
175.11221	2.7
175.14902	5.9
176.21141	1.6
179.08565	2.1
181.10172	3.6
182.10956	2.0
183.11732	6.6
185.13254	4.5
187.11203	3.5
187.14751	2.6
193.10219	2.1
194.11127	1.8
195.11766	2.8
196.12456	1.7
197.13242	5.5
199.14859	2.9
201.12749	1.8
201.16432	3.7
207.11662	1.7
208.12196	1.5
209.13210	3.8
211.14771	1.8
213.16408	2.3
221.13329	2.1
223.14780	1.7
225.16374	1.5
235.14854	1.8
236.64339	1.4
239.23776	7.0
241.19608	1.6
250.38902	1.4
337.20593	1.7
393.27789	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
55.05511	22.1
57.03426	6.6
57.07079	43.6
61.37964	2.1
65.03938	4.6
67.05511	43.0
69.03434	3.0
69.06787	2.4
69.07083	25.8
69.73396	14.7
71.05010	3.8
71.08635	21.5
79.05497	42.9
79.17915	2.0
81.07066	79.0
82.90341	2.0
83.04984	3.3
83.08620	21.2
85.06546	4.4
85.10182	8.3
91.05484	62.2
92.05802	3.0
93.07052	82.4
94.07378	5.5
95.04980	60.6
95.08614	82.8
96.08970	3.1
97.06545	11.3
97.10179	4.3
98.20745	4.1
98.98475	65.2
103.05440	5.3
105.04539	2.8
105.07040	96.4
106.07318	3.8
107.08601	55.3
108.08904	2.9
109.06512	19.2
109.10164	34.0
111.08105	2.5
115.05445	6.3
117.07031	24.4
119.08588	96.0
120.08859	3.5
121.06508	21.6
121.10157	32.8
123.08058	7.7
123.11710	11.2
128.06242	11.5
129.07021	18.5
130.07756	8.2
131.08585	43.7
132.08992	3.4
133.10144	53.8
133.13979	2.5
135.08067	7.5
135.11742	18.4
135.12646	4.1
137.13293	4.2
141.06985	6.9
142.07817	25.7
143.08560	31.7
144.09386	11.5
145.10136	69.0
146.10480	8.5
147.11684	27.2
149.09601	5.2
149.13254	2.5
155.01054	100.0
155.08600	13.8
156.09352	13.6
157.10149	65.1
158.10822	8.0
159.08057	4.1
159.11710	47.6
160.12088	2.8
161.09648	17.7
161.13243	9.0
163.11203	6.5
165.07011	3.9
167.08560	6.2
168.09370	6.3
168.90175	2.3
169.10162	19.6
170.10854	8.4
171.11732	25.2
172.12239	3.1
173.09624	4.6
173.13313	23.4
174.13654	2.9
175.11169	11.4
175.14839	18.0
179.08574	8.3
181.10139	9.8
182.10829	4.0
183.11746	19.1
184.12408	3.3
185.09772	2.9
185.13228	15.0
186.13788	3.7
186.31326	2.4
187.11195	8.1
187.14839	11.5
189.12665	4.1
193.10127	8.1
194.10889	5.0
195.11620	13.1
196.12440	3.7
197.13199	17.4
198.13863	2.7
199.11234	3.6
199.14850	9.7
201.12741	4.2
201.16397	11.3
205.10037	3.2
206.10837	4.2
207.11626	8.1
208.12445	3.4
209.13240	13.3
210.14000	4.5
211.14842	8.5
213.16376	3.2
215.14296	2.3
217.15785	2.7
220.12512	3.2
221.13219	4.7
223.14806	5.8
225.16405	7.0
227.14243	2.8
235.14799	5.3
237.16379	3.2
237.81808	2.6
239.23724	6.5
241.19489	4.3
250.17059	3.3
251.17926	3.6
253.15889	7.8
253.19604	2.6
265.19455	4.6
267.20901	2.6
271.15311	2.6
283.20386	2.8
338.92139	2.4
375.26880	4.7
393.27853	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	393.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02554	1.1
53.03944	4.9
55.01875	3.3
55.05513	6.8
56.05042	8.7
57.03440	1.9
60.04525	2.8
61.01150	3.6
61.78241	1.7
62.01460	1.4
67.05504	4.0
68.05022	3.7
68.99791	1.9
69.03432	15.1
69.07072	7.9
70.02953	1.3
70.06599	36.7
71.04987	3.1
71.06902	2.9
71.54845	2.5
72.08160	29.0
73.01149	1.8
74.00659	2.5
74.06080	2.5
76.06763	1.4
79.05493	5.1
81.03426	24.1
81.07069	9.4
83.06102	1.7
83.08591	1.5
84.04507	12.7
84.08152	21.5
85.02910	16.4
85.04881	1.3
85.06536	2.8
85.08485	3.1
86.06075	1.5
86.09709	42.1
87.00837	4.5
87.05586	2.7
87.10044	2.7
88.03993	3.8
88.24611	1.5
91.05476	7.9
93.07053	7.9
95.04980	3.1
95.06066	1.6
95.08601	11.1
96.55664	1.5
97.02886	8.3
97.10195	1.8
99.04455	8.7
101.07125	1.6
102.05549	2.9
103.03944	5.3
103.05441	1.8
104.05331	4.9
105.01862	2.6
105.07019	2.4
107.08587	6.8
107.64774	1.3
109.02889	22.2
109.06558	2.1
109.10158	7.3
110.07179	4.8
112.08705	2.1
116.07109	3.5
119.05016	2.0
120.08116	21.8
121.06539	1.9
121.10153	8.1
123.11769	1.8
127.03934	36.4
129.01836	2.4
129.10236	14.7
130.05026	2.1
130.06519	3.2
132.10161	1.6
135.11678	3.2
136.07585	21.6
137.05908	3.2
137.13301	1.5
140.07143	1.4
143.11798	1.9
145.04982	2.6
145.06245	1.2
146.06081	2.5
147.02905	2.6
149.13248	2.1
151.03966	2.2
158.63715	1.2
166.07372	1.2
166.08675	3.0
167.03798	1.3
169.04906	1.5
172.06067	1.8
175.07484	1.4
177.16393	23.1
185.03906	2.7
187.06097	3.0
188.07477	1.8
195.17493	8.5
201.06450	3.0
203.08041	4.0
204.08798	6.1
213.03938	2.9
213.18521	2.8
215.08099	2.2
216.08807	100.0
217.09441	3.9
218.10416	3.6
225.06467	11.1
226.07318	4.0
229.15572	1.8
230.10336	7.5
230.15921	1.4
231.04659	8.0
231.19629	4.0
233.09579	2.4
234.09853	1.8
235.14438	3.4
240.08821	53.6
241.09248	2.9
246.09814	6.2
249.15840	2.0
256.06390	1.7
258.09766	2.1
262.09332	2.2
265.06708	2.0
268.08289	4.3
272.11459	3.3
273.05997	2.1
300.10925	54.5
301.11273	2.7
333.13031	2.3
343.11499	1.7
361.12689	5.3
375.14160	5.3
393.10083	1.6
393.15146	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.1
57.03439	4.2
57.07080	33.6
60.80449	0.8
67.05507	14.1
69.07081	8.5
70.80125	1.0
70.80459	1.4
71.08638	24.0
73.82325	0.9
79.05485	2.9
81.07060	19.7
83.08143	1.0
83.08627	13.4
85.10186	13.9
91.05476	3.5
93.07047	3.9
94.14345	0.9
95.04977	2.5
95.08615	28.1
97.10173	6.5
97.69571	0.8
98.98474	73.1
99.11759	0.8
105.07056	5.9
107.08595	2.9
109.06494	0.9
109.10173	14.4
111.11704	2.2
113.13284	0.8
116.99529	1.4
117.07005	1.7
119.08577	4.9
121.10138	2.2
123.11716	5.2
125.13274	0.8
128.06155	0.8
131.08582	2.0
133.10139	2.9
135.11652	0.9
137.13277	2.3
142.07747	0.9
143.08559	2.1
145.10127	3.3
151.14821	0.9
155.01054	100.0
155.08606	0.8
156.01324	0.9
157.10107	3.1
159.11697	2.5
161.13243	0.8
163.88455	0.7
167.08617	0.7
169.10144	1.0
171.11740	1.6
181.66573	0.7
182.10896	0.8
183.11697	1.0
221.22672	1.6
239.23741	6.7
257.06323	0.8
274.58002	0.8
317.71423	0.9
382.61255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.6
55.41579	5.2
57.03442	6.9
58.99595	10.3
61.36997	4.9
67.05520	7.1
69.03443	54.5
69.07097	15.0
70.06593	20.7
70.80728	11.8
73.01139	10.2
79.05489	12.7
81.03432	42.5
81.07063	9.8
84.08156	15.3
85.02914	68.8
86.09700	13.6
87.00866	7.4
91.05500	6.4
95.01331	54.6
95.04953	9.4
95.08656	7.5
96.16006	6.0
97.02909	16.9
97.06534	17.2
99.02686	18.3
99.04462	21.4
103.03947	6.6
104.98303	12.2
105.07072	7.6
109.02224	5.5
109.02879	34.6
111.02672	19.0
112.03485	14.7
113.02432	6.4
113.04241	100.0
114.05053	13.9
115.05768	7.4
120.08134	6.8
123.04398	8.2
125.05981	40.9
127.03956	48.4
142.99884	49.1
145.01442	14.2
152.05331	8.0
153.05481	39.7
187.06017	6.6
213.04044	7.7
215.05508	72.6
223.49756	6.2
231.05157	8.9
255.07816	9.5
329.10544	7.1
381.99521	6.9
389.84436	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	393.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.1
54.10468	0.8
55.01877	6.0
55.05505	1.4
56.05030	1.7
57.03436	4.2
61.01128	1.0
61.02930	6.4
67.01875	1.4
67.05507	2.4
68.99791	7.2
69.03436	36.6
69.07069	2.4
69.49892	5.1
69.50301	1.9
70.06596	8.8
71.01355	1.7
71.04996	7.2
72.08163	4.6
73.01147	1.0
73.02920	2.2
74.06084	1.0
79.05495	2.0
81.03424	68.6
81.07036	1.6
83.01359	1.1
83.04998	1.2
84.04496	1.8
84.08141	4.5
84.53336	0.8
85.02911	56.5
85.06554	1.3
86.09713	10.9
87.00835	16.1
87.10044	1.2
91.05482	1.8
93.07046	1.8
95.04983	3.7
95.08640	1.6
97.02908	24.7
97.06577	1.0
98.20705	1.5
99.04464	32.3
101.02378	1.4
103.03944	15.8
105.01878	8.8
105.07047	1.7
107.04962	1.4
107.08641	1.4
109.02888	69.0
113.02419	1.0
113.04252	2.5
113.38361	0.9
115.03897	1.7
119.08609	1.5
120.08119	3.4
123.04459	1.5
125.02320	1.2
127.03926	100.0
129.01855	10.9
129.10210	2.2
135.04445	1.7
138.32251	1.0
139.03876	1.2
145.04968	9.8
147.02890	9.1
151.03932	1.9
153.01863	3.1
153.05238	1.0
159.02972	2.1
169.04976	7.7
181.10042	0.9
187.06061	6.6
199.18069	1.4
203.10423	0.9
207.21474	0.9
213.03940	6.6
229.03259	2.1
231.05011	20.6
246.21335	0.8
249.02185	1.9
255.04991	1.2
271.08188	1.4
273.06076	7.0
277.01596	1.2
291.07175	4.3
300.02588	1.8
303.05115	3.2
305.01172	1.5
333.00848	1.6
351.01672	1.4
357.08182	2.6
375.09238	2.1
382.17783	0.9
393.06076	2.7
393.18872	8.8
393.27914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44505	0.7
55.05511	2.3
56.04781	1.2
56.05037	14.1
61.01159	5.3
68.05030	0.8
69.03449	0.8
69.07066	2.1
70.02963	0.7
70.06600	27.8
71.55590	0.9
71.55953	0.8
72.08156	8.3
74.06087	2.1
80.16440	0.7
81.03433	1.1
83.06123	1.4
84.04514	39.2
84.08161	8.4
85.02907	2.9
86.09713	100.0
87.02708	1.4
87.10059	1.3
88.03980	1.1
90.09192	2.0
91.05490	2.1
95.08607	1.4
96.04504	1.3
97.02903	1.3
98.06021	0.7
102.05551	20.2
104.05337	23.4
110.07178	4.7
112.08739	1.1
113.07159	2.5
113.58943	0.8
116.07107	6.1
119.04934	0.9
120.08114	5.9
124.03957	0.8
127.03921	1.0
129.06602	4.6
129.10239	3.6
130.05026	1.3
133.03201	12.2
136.07596	8.9
141.06595	4.0
149.02327	1.4
149.06001	0.8
150.05855	46.8
152.10707	3.0
156.07748	2.7
167.08176	3.8
168.24165	0.7
169.13403	1.6
170.11766	4.4
181.09874	0.8
183.14989	1.2
197.12856	21.2
210.02202	1.1
211.14572	1.1
213.08760	1.5
215.13925	39.9
216.14333	1.4
217.13734	3.1
225.12375	7.3
230.17479	3.8
235.11873	1.1
243.13377	15.1
245.11417	0.9
249.16045	2.3
253.13019	1.7
261.08997	3.6
263.14264	2.8
274.03745	1.5
279.10272	1.3
279.13489	1.1
359.18683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01864	1.6
55.05516	7.1
56.05042	5.3
57.03431	3.3
57.07058	1.0
58.06598	2.0
67.04264	1.6
67.05177	0.9
67.05512	14.8
68.05037	3.9
69.07065	5.1
69.40544	0.7
70.02935	1.0
70.06580	3.0
70.38297	1.5
70.38655	1.9
72.04493	1.1
72.08150	0.8
74.06083	1.4
79.05502	10.8
80.04565	1.2
80.05026	23.3
81.05789	1.0
81.07062	13.0
82.06116	1.6
82.06591	31.5
83.04984	0.7
83.08610	1.4
84.08128	2.1
85.06525	1.1
91.05489	7.1
93.05807	1.5
93.07050	8.9
94.06583	11.6
95.04996	1.5
95.07353	3.3
95.08633	6.8
96.04494	1.9
96.08150	7.9
97.06548	0.8
98.06039	1.9
98.98480	5.0
100.07607	3.9
105.07042	4.5
106.06551	1.8
107.07360	1.3
107.08607	4.3
108.00473	0.8
108.08123	9.4
109.08884	1.7
109.10149	1.6
110.09690	6.9
113.04236	1.4
116.07845	0.8
117.07030	1.6
119.08577	2.9
120.08095	3.5
121.10160	1.7
122.09707	2.0
123.08034	0.8
124.01606	3.1
125.00024	2.1
131.08575	1.8
133.10143	2.1
134.09630	1.3
135.11690	1.8
136.01588	1.3
138.09154	1.5
143.65057	0.7
147.11739	0.8
147.29626	0.8
149.02377	2.7
149.13303	1.4
150.02718	1.0
159.11708	1.2
162.03262	1.4
176.14420	0.9
177.12750	8.8
180.04234	1.0
192.17464	4.5
202.15839	0.8
220.16986	52.8
221.17384	1.2
230.46597	0.9
238.18034	29.6
256.19144	2.8
294.20642	9.6
300.13608	6.6
312.21628	4.4
318.14685	13.8
336.15729	19.4
336.19745	1.1
374.17319	36.9
392.18356	100.0
392.36258	1.6
393.18625	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.05519	7.9
57.07079	8.5
60.14834	2.0
65.03953	4.0
67.05508	12.4
69.03432	2.4
69.07078	9.1
71.08652	4.5
73.01157	4.8
79.05497	18.0
80.28707	1.7
81.07064	22.6
83.04990	5.2
83.08630	5.0
83.91482	1.8
85.06567	4.8
91.05484	19.8
93.07050	23.6
95.04977	27.3
95.08604	12.3
97.06553	5.0
99.02726	2.6
104.98320	4.7
105.07037	42.0
107.08598	17.2
109.06545	7.3
109.10201	7.6
113.04242	15.4
115.05514	4.4
117.07052	8.5
119.08587	33.4
121.06502	11.9
121.10161	17.1
121.23878	2.5
123.08105	3.8
123.11768	3.0
128.06265	8.9
129.07057	8.6
130.07832	3.9
131.05289	6.1
131.08554	17.0
133.10115	12.1
135.08080	3.8
135.11723	2.8
141.07042	5.7
142.07805	12.2
143.08559	20.2
144.09377	3.7
145.10143	29.3
147.08109	6.2
147.11722	7.1
149.02348	30.3
149.03270	2.3
149.09691	5.5
154.07845	3.6
155.08553	10.7
156.09392	9.8
157.10150	28.2
159.08112	7.8
159.11758	8.1
161.09665	8.1
165.07037	4.0
166.07932	2.3
167.03424	2.8
167.08641	5.7
167.10747	2.5
168.09351	2.9
169.10168	18.6
170.10886	4.2
171.11694	14.2
173.09673	6.1
173.13318	6.3
175.11240	3.2
177.09209	2.5
179.08611	8.1
180.09404	4.6
181.10130	10.7
182.10945	4.8
183.11703	14.9
185.09708	3.9
185.13364	8.7
192.09387	4.2
193.10155	11.6
194.11032	7.0
195.11703	13.7
196.08882	2.5
196.12595	3.2
197.09657	4.0
197.13243	13.1
199.11089	4.4
199.14891	3.6
205.10197	4.4
206.10983	6.7
207.11714	13.9
208.12500	3.5
209.13310	17.0
210.10577	2.3
211.11314	4.9
211.14868	7.5
213.12892	5.3
215.14352	4.0
217.10199	3.9
218.11006	2.8
219.11708	5.3
220.12529	3.5
221.13280	12.1
222.14098	2.3
223.14899	7.5
225.12828	5.8
225.16502	2.8
227.14388	2.9
231.11794	4.5
232.12415	3.5
233.13353	6.4
234.14098	5.0
235.14868	6.3
237.12801	4.1
237.16539	5.2
245.13297	4.5
246.14090	3.1
247.14972	6.1
249.16617	5.7
251.17990	3.6
259.15060	3.7
261.16501	4.8
262.17380	2.8
263.18069	4.6
267.17654	2.9
273.16412	3.7
275.18057	4.7
277.19690	2.5
281.18982	2.5
282.19867	4.3
289.19672	3.5
291.17517	3.8
293.19019	4.3
295.20560	3.2
297.18680	6.7
307.20621	5.2
317.18961	3.1
335.20209	6.4
345.26007	3.3
373.25348	16.3
391.26361	100.0
391.36362	4.4
392.26202	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	2.8
58.99586	1.7
61.01132	1.7
63.81742	1.2
67.05507	1.7
69.07065	3.3
70.06588	2.4
70.68754	3.2
70.69114	2.0
71.08614	2.2
73.01144	2.2
79.05480	4.2
81.07041	2.2
95.04977	2.1
97.06554	2.7
99.02731	1.4
104.98309	3.3
106.56952	1.7
107.08604	2.6
112.03491	2.6
113.04241	16.7
119.08581	2.0
123.18832	1.4
129.03700	3.2
131.05255	3.2
141.29169	1.4
145.01419	3.0
149.02347	23.0
206.04311	1.3
224.41559	1.3
285.29871	1.9
329.32361	2.7
380.63223	1.4
391.24567	100.0
392.24860	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03949	6.2
55.01884	3.1
55.05519	9.7
57.03427	2.3
57.07088	3.5
65.03929	5.8
67.05513	16.2
69.03422	4.3
69.07082	12.7
70.37997	4.1
70.38382	5.1
71.04994	2.7
71.08626	3.8
79.05502	27.7
81.07063	34.1
81.42688	2.1
82.17496	2.3
83.05009	2.3
83.08627	4.2
85.06562	4.7
89.28551	2.0
90.92211	1.9
91.05487	37.4
92.51608	2.3
93.07053	41.6
95.04978	54.4
95.05559	3.7
95.06387	2.1
95.08607	19.9
97.06556	6.0
105.07040	68.0
107.08592	22.6
109.06544	9.2
109.10133	10.7
113.04282	8.3
115.05456	3.6
117.07033	20.5
119.04980	3.0
119.08594	54.6
121.06546	11.4
121.10146	23.8
123.08092	4.8
123.11749	5.0
128.06239	11.3
129.07021	11.8
130.07819	7.7
131.05264	3.1
131.08592	25.4
133.10146	19.4
135.08090	6.6
139.11115	3.0
141.07027	6.5
142.07788	17.3
143.08565	28.9
144.09364	6.2
145.06531	3.2
145.10138	46.6
147.08083	6.4
147.11687	9.8
149.02344	16.8
149.09712	5.0
153.07054	3.7
154.07803	5.5
155.08604	16.2
156.09357	10.3
157.10136	34.7
158.10944	4.8
159.08101	6.0
159.11690	17.3
161.09653	5.9
163.11328	2.3
165.07043	8.2
166.07825	4.8
167.03500	2.4
167.08609	8.5
167.10686	2.4
168.09410	4.0
169.10138	23.8
170.10971	7.1
171.08061	3.4
171.11702	21.2
173.09705	5.7
173.13275	14.7
175.11261	5.8
179.08601	11.8
180.09351	6.0
181.10092	18.2
182.10999	8.3
183.11684	19.1
184.12495	2.4
185.09679	4.9
185.13350	8.6
187.11201	4.4
187.14897	2.9
191.14374	4.8
192.09418	6.8
193.10165	12.6
194.10956	11.3
195.11719	19.7
196.12454	5.0
197.09601	2.5
197.13295	17.7
199.11284	9.3
199.14877	4.7
205.10262	3.6
206.10959	8.9
207.11691	17.5
208.12541	7.3
209.13261	19.0
210.13985	2.9
211.11275	6.8
211.14783	11.0
213.12883	4.9
213.16333	2.4
217.10152	3.4
218.10924	2.5
219.11638	10.1
220.12505	6.0
221.13197	14.1
222.10335	2.1
222.14117	5.5
223.11227	4.6
223.14810	14.0
224.15588	2.8
225.12865	3.3
225.16389	2.9
227.14395	6.8
227.23080	2.3
229.15927	2.3
231.11700	3.4
232.12518	7.1
233.13329	11.2
233.15456	5.8
234.14044	2.8
235.14795	10.5
236.15669	3.5
237.12770	4.2
237.16489	4.9
239.14415	3.0
241.15886	3.6
244.12514	2.3
245.13385	3.4
246.14052	3.2
247.14851	5.2
248.15582	2.3
249.16347	13.6
251.14403	5.1
251.18127	5.2
253.15836	3.4
257.13324	3.9
257.90677	2.8
258.14249	3.0
259.14948	5.0
261.16437	4.3
262.17014	2.9
263.18054	7.3
264.18936	2.2
265.15811	3.2
265.19461	2.8
267.17502	7.0
269.19080	6.2
270.13947	2.3
271.14859	2.2
273.16461	5.6
275.17981	6.4
277.15924	3.9
277.19513	4.7
279.17529	5.0
281.19086	2.7
282.19745	10.1
285.16531	2.9
287.17905	2.5
289.19473	4.0
291.17737	3.4
293.19180	3.0
295.20801	5.1
297.18515	6.0
299.17844	2.7
307.20615	3.1
308.21573	3.2
317.19073	4.4
335.20233	5.5
347.24002	3.7
363.27206	2.7
373.25293	15.0
391.26389	100.0
391.36188	4.5
392.26633	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
57.07075	5.9
58.99587	10.3
60.91355	2.3
61.01152	15.2
65.12252	2.3
65.43556	2.4
67.05500	3.7
69.07063	5.8
70.67735	5.0
70.68058	3.0
71.08665	3.6
71.61026	2.5
73.00732	3.1
73.01146	63.0
74.01910	2.8
79.05500	6.1
81.07053	7.5
82.07832	5.8
83.08617	5.0
86.09707	2.8
87.02698	4.1
91.02190	6.9
97.06567	3.5
99.02677	5.7
101.04261	5.1
102.96760	8.6
103.97539	20.5
104.98325	100.0
107.08624	3.6
112.03484	3.8
113.04240	58.9
113.08769	2.9
114.05053	5.6
115.05824	18.8
116.98324	6.5
119.08567	3.4
136.95494	83.4
145.01381	18.6
146.02203	10.8
147.02997	55.0
149.02357	31.9
168.92715	37.1
176.98643	4.1
179.00223	4.4
210.97411	23.5
226.96922	37.3
335.62082	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	391.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61599	0.6
57.03446	1.1
57.07079	0.6
58.99569	1.1
66.92000	0.7
67.05503	0.8
69.03436	9.4
69.07069	0.9
69.85588	0.5
70.06597	0.9
71.08630	1.5
71.55451	0.6
71.55835	0.6
72.46429	0.6
79.05500	2.1
81.07050	0.6
84.08138	0.7
85.02904	7.4
93.07039	0.8
95.01331	12.7
97.01123	8.0
97.06502	1.7
101.04252	1.0
111.02069	0.5
111.02671	29.4
112.03449	98.1
113.04253	14.4
115.03770	0.6
115.05845	0.8
121.06491	0.9
125.05991	9.6
131.05240	0.8
142.99846	11.0
143.06914	0.7
145.01387	0.9
149.02348	8.1
153.05458	11.2
153.06593	1.0
176.98616	100.0
177.98999	1.0
181.08607	0.8
183.02893	1.2
200.28490	0.5
215.05470	8.7
216.00914	1.0
274.08899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.0
56.05038	19.3
56.96561	2.8
57.03434	1.5
58.06605	11.1
60.04538	6.8
61.01142	3.7
63.44107	1.3
67.05503	1.6
68.05025	2.1
69.07075	2.1
69.61667	7.8
69.62070	3.0
70.06600	17.6
71.08636	2.8
72.08156	16.3
74.06085	77.4
84.04510	20.7
84.08151	17.1
85.04019	1.6
86.06078	4.9
86.09711	90.5
87.05599	2.9
87.10046	2.3
88.04019	3.2
96.04494	1.9
98.20824	2.4
98.97591	1.8
101.07150	28.0
102.05553	5.3
110.07176	1.9
112.64864	1.3
113.07158	1.6
118.06883	5.7
120.08101	2.2
121.02831	1.8
124.03950	1.3
124.11240	2.6
126.09189	3.5
126.12801	2.8
127.70856	1.5
129.10255	8.2
130.05020	2.6
130.10526	1.5
132.10229	3.6
134.79549	1.4
142.01720	2.5
142.12282	13.9
143.11783	10.3
145.06076	2.0
147.07666	4.1
149.02356	33.4
152.10646	2.0
159.07640	12.2
160.02794	1.9
167.03374	2.3
169.05994	1.7
169.13300	2.2
173.12825	2.1
177.08731	50.3
177.10225	3.3
187.07202	3.8
187.14442	100.0
201.12245	2.0
215.13947	37.6
229.05060	1.8
229.15547	2.8
246.18143	2.6
260.09360	1.5
272.16028	6.4
274.15738	1.5
280.99445	2.4
288.11963	4.2
312.15640	3.0
316.18686	5.0
329.18378	2.1
344.11020	1.8
373.20895	15.5
391.13223	1.5
391.19318	1.6
392.02661	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	390.1874
Annotation	Glu Glu Ile
Peak:m/z	Relative Intensity
52.38339	1.0
56.05036	9.2
69.03432	1.1
69.07076	2.5
70.06596	4.1
71.54523	1.4
72.08150	4.4
73.01133	1.1
74.56732	0.9
84.04510	100.0
84.08144	6.5
85.02891	4.0
86.09711	86.6
87.10033	1.3
102.05551	46.3
103.05924	1.1
107.04932	1.1
110.07175	2.5
116.07101	1.1
120.08131	1.5
122.06048	3.6
124.07631	2.3
125.63707	0.9
129.06628	8.6
129.10229	2.9
130.05013	2.6
132.10216	66.1
136.07582	1.0
137.06036	2.1
142.08717	1.2
148.06055	3.6
150.05511	2.2
167.08162	12.7
168.06613	4.3
181.06097	2.0
195.07680	12.6
197.12872	7.6
213.08684	13.2
215.13956	6.3
231.09802	14.2
241.08192	23.4
243.13435	11.9
259.09290	10.8
261.14441	1.5
290.32709	1.4
308.16025	1.2
326.16956	1.1
354.16718	2.0
372.17780	2.6
390.18039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60998	1.4
57.07075	1.5
58.99601	8.2
61.01155	17.6
67.05511	3.8
69.07069	4.7
69.62260	7.5
69.67313	1.3
70.99594	3.0
71.08635	1.5
73.01147	35.5
74.01918	1.8
79.05518	3.4
81.07074	8.7
82.07841	4.8
82.47999	1.2
83.08630	3.9
85.01163	1.9
87.02685	7.8
98.21545	3.1
99.02668	2.8
101.04268	4.0
102.96758	5.5
103.97540	7.7
104.98327	100.0
105.07059	2.0
106.99888	1.4
112.03471	4.2
113.04240	46.9
114.05019	4.0
115.05804	18.0
116.98357	3.5
118.99828	1.9
119.08602	2.5
131.05304	1.9
135.94754	2.3
136.95502	43.9
145.01419	15.2
146.02217	9.7
147.02988	50.1
149.02350	20.1
167.03444	1.8
168.92717	36.1
179.00230	4.0
210.97397	16.4
226.96838	14.6
242.94588	1.5
300.98853	1.9
336.99600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2397
Annotation	Ala-Leu-Val-Ser
Peak:m/z	Relative Intensity
55.01875	0.3
55.05513	0.8
56.05027	1.0
57.05801	0.3
58.06601	0.5
60.04519	0.6
60.05648	0.4
67.05508	0.3
67.70827	0.2
68.05043	0.2
69.03429	0.3
69.07069	7.9
69.83144	0.8
69.83553	0.4
70.06597	5.2
72.08158	2.9
73.01127	0.4
74.06075	0.8
75.05611	2.1
83.06107	0.2
84.04513	1.6
84.08148	4.8
85.02914	0.6
85.08495	0.3
86.09708	100.0
87.05608	0.3
87.10043	1.3
88.03996	0.3
91.05486	0.4
95.08609	0.3
97.02843	0.2
102.05536	0.5
103.05499	0.3
104.69914	0.2
106.05040	0.7
109.02939	0.2
110.07163	0.5
112.08738	0.6
115.08757	0.2
116.07092	0.4
120.08113	1.4
124.07584	0.5
129.10249	3.1
130.08665	0.4
136.06175	0.2
136.07590	0.5
137.05956	0.4
140.08174	0.2
143.11804	11.6
169.09906	0.3
171.09822	0.5
171.11296	9.6
173.12828	0.2
187.14461	0.6
189.12572	0.2
189.14778	0.2
192.07257	0.2
193.04918	0.3
201.12370	1.1
219.07967	0.2
219.13416	6.5
225.17212	0.3
239.17538	2.0
240.13519	0.3
256.20255	0.8
258.11984	0.2
258.14444	1.0
276.15564	1.7
284.19751	3.5
328.03912	0.3
328.07672	0.2
371.23053	0.6
389.13586	0.2
389.17813	0.8
389.24619	2.9
390.18802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Glochidionionoside B
Peak:m/z	Relative Intensity
52.38000	8.8
55.05502	11.5
67.05504	14.9
69.03426	9.2
69.07057	18.8
71.12389	16.3
74.80325	8.7
79.05508	12.2
81.07039	24.6
83.33897	7.7
84.08185	8.9
85.02901	10.1
86.09696	40.0
91.05488	11.6
93.07067	39.4
95.08617	37.7
96.41580	8.0
97.06510	11.4
99.08099	23.9
105.07047	19.4
107.08601	59.7
109.06547	17.4
109.10157	19.3
121.06505	19.0
121.10153	43.2
123.08091	32.7
123.11671	8.3
125.09508	9.7
131.08580	10.4
133.10107	27.7
135.08037	13.4
137.09616	10.8
139.11205	9.1
147.11664	8.4
149.09636	91.9
149.13240	31.3
151.11221	42.2
153.09013	8.6
163.14856	45.3
173.13251	41.7
178.46722	7.3
182.95399	7.0
191.14345	97.7
209.15392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Glochidionionoside B
Peak:m/z	Relative Intensity
55.05502	7.4
60.04526	4.5
67.05505	8.0
69.03426	9.2
69.07055	13.1
70.06575	8.7
70.10794	17.4
72.08146	5.0
73.59319	3.5
75.89551	4.1
79.05484	7.7
81.07071	19.4
83.04984	9.4
83.08636	4.3
83.15607	3.8
84.08138	11.9
85.02896	9.4
85.06529	7.7
86.09707	54.9
91.05480	11.1
93.07042	32.2
95.04948	5.3
95.08606	27.2
97.06535	6.8
99.08092	15.8
105.07015	12.0
107.04971	8.6
107.08601	53.0
109.06513	12.5
109.10118	14.2
111.08093	6.1
121.06494	21.7
121.10149	38.1
123.08064	20.3
123.11661	5.0
125.09577	6.2
131.08516	16.9
133.10146	26.9
135.08057	18.0
135.11717	5.5
137.09637	6.1
147.11664	9.1
149.09613	68.3
149.13260	24.7
151.11203	19.1
153.09158	4.3
163.14848	34.8
164.15144	3.9
173.13284	29.1
191.14320	76.1
209.13464	7.6
209.15375	100.0
259.35541	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	389.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01870	1.0
55.05499	2.1
57.07079	0.9
58.99585	1.7
59.94555	0.7
61.01146	1.8
65.03932	0.9
67.05495	2.5
68.02635	2.5
69.03436	3.6
69.07054	3.3
70.06586	3.3
70.48742	2.2
70.49084	0.7
71.08623	2.3
73.01129	3.2
79.05486	1.7
81.03437	1.6
81.07047	1.2
83.05003	4.2
84.04478	1.7
84.08134	2.7
85.02895	4.2
86.09713	2.1
91.05487	1.7
93.07057	1.0
95.04958	1.6
96.05740	1.5
97.02877	2.0
97.06536	4.1
99.02678	1.3
99.08106	0.8
101.04236	2.0
104.98309	2.1
105.07016	1.8
107.04966	4.6
107.08614	1.2
108.08136	1.0
109.02871	0.8
109.06544	1.0
109.10266	0.8
110.07192	1.1
111.02672	1.6
111.04451	21.0
113.04249	8.7
116.98321	2.5
118.97791	0.7
119.08544	0.8
121.06498	1.2
121.10204	1.0
125.05995	4.6
127.03909	3.3
129.03709	2.8
130.04433	0.7
131.05244	0.8
136.95482	1.0
137.05974	1.2
139.03925	1.5
140.01637	0.8
141.05467	1.0
142.99870	1.0
145.01442	1.8
145.10159	0.8
153.05478	9.9
157.04973	1.5
158.99358	2.1
160.98880	1.1
161.00861	2.0
163.11166	0.8
167.07045	3.2
174.45537	0.7
181.12277	1.2
209.11765	5.1
214.12274	2.7
227.12799	100.0
228.13155	2.4
296.81555	0.9
303.74677	1.0
359.09888	0.7
389.16864	3.3
389.24683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
55.05527	4.0
57.07065	2.9
67.05497	9.1
69.03413	14.5
69.07064	5.6
69.89878	17.9
70.06618	7.4
71.05004	35.0
72.08166	6.3
79.05486	6.1
81.03416	5.0
81.07048	10.8
83.06107	5.6
83.08620	5.7
84.08146	7.4
85.02906	21.3
85.06527	12.9
86.09698	15.8
91.05472	4.9
93.07041	10.4
95.04979	5.7
95.08588	12.1
97.02925	4.9
98.21443	3.7
99.04462	100.0
105.07046	6.2
107.08598	27.6
109.06471	4.1
109.10157	10.4
110.93992	4.2
113.09660	5.3
119.08608	5.3
120.08061	5.0
121.10119	8.9
122.06007	4.4
123.08063	11.9
123.11718	11.0
125.09630	12.5
127.03995	3.6
128.94989	5.9
129.10220	4.1
131.08557	5.4
133.10121	17.2
135.08023	3.8
139.11137	3.0
141.09097	3.7
147.11765	6.6
149.13271	11.3
151.11165	6.2
151.36700	3.3
162.55034	3.1
163.11177	3.5
163.14835	6.6
167.10698	5.2
169.12265	7.8
173.13257	11.1
174.93642	5.9
183.13817	35.1
191.14272	12.1
209.15327	19.6
224.14075	4.7
227.16425	88.8
257.47052	3.0
262.45013	3.1
289.95117	3.2
295.57590	2.8
405.94940	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	389.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
55.05522	1.0
58.06606	19.1
58.99591	5.2
61.01144	3.4
67.05511	1.8
68.04668	1.0
68.05029	3.8
70.06596	13.0
71.47276	1.7
72.08154	3.3
73.01141	11.1
74.00663	6.3
74.78956	1.2
76.02228	2.0
76.04018	1.4
81.07066	1.1
82.06573	1.4
83.07340	4.3
84.04517	7.9
84.08144	9.4
85.02908	1.1
85.04042	5.2
86.09727	6.0
86.99071	1.6
90.03785	1.6
91.05478	1.3
92.01711	2.2
95.04951	1.0
97.02884	1.5
99.02685	21.8
99.04449	3.2
101.04247	3.3
104.98323	13.2
105.07075	1.0
112.03974	10.4
113.03520	1.8
113.04225	2.0
116.01708	6.8
116.05331	43.4
116.06231	2.6
116.07092	27.8
117.90856	1.0
120.08096	2.6
129.10286	2.6
130.05008	13.5
131.04512	4.6
132.95792	2.2
139.03897	2.9
144.01100	1.5
147.03011	5.5
148.02516	8.2
150.96898	2.2
162.02219	2.4
177.03328	14.6
177.93843	2.2
179.04903	1.4
188.01978	1.4
195.94867	4.8
202.03560	2.0
202.05338	21.5
209.11720	1.3
219.07994	100.0
220.08351	1.3
227.12802	1.6
227.16394	2.2
251.05223	33.6
251.95726	2.2
259.11105	4.0
269.96796	1.6
325.06873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61744	0.7
55.01871	1.2
55.05491	1.8
58.06593	3.2
58.99580	1.5
60.76624	0.7
67.05488	0.8
68.05007	1.0
69.03403	0.9
69.07077	4.0
69.78397	1.8
69.78787	1.9
70.06582	2.8
72.08136	0.9
73.01135	2.2
74.00674	1.1
79.05485	0.9
81.03423	1.0
83.04976	2.1
84.04493	1.8
84.08137	2.8
85.04027	1.1
86.09715	4.5
87.49271	0.8
91.64533	0.8
99.02690	2.8
99.04468	1.5
101.90783	0.7
104.98304	2.0
107.08595	1.2
112.03963	2.0
113.04282	1.3
113.06010	11.4
113.07900	0.7
115.07545	1.1
116.01625	1.1
116.05320	8.0
116.07079	4.8
120.08113	1.1
129.10217	1.1
130.05008	1.8
130.64146	0.7
136.07709	1.0
139.03906	100.0
140.04233	1.5
146.06026	1.0
147.02982	1.1
148.02512	1.6
149.09621	0.9
157.13268	0.9
162.05777	0.9
165.41162	0.8
167.07004	1.1
177.03268	3.7
188.07101	2.0
202.05350	3.1
205.09846	1.7
209.11740	37.9
210.12082	1.0
219.07997	15.5
227.12779	31.7
228.13046	1.0
251.05225	5.1
378.35260	0.8
389.13449	1.6
414.32532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99596	16.2
60.03043	2.1
61.01160	22.1
66.66013	1.7
67.05504	8.8
69.07072	22.7
70.25926	4.0
70.26317	4.2
73.01148	19.1
79.05486	9.3
79.99264	2.5
82.66785	1.9
89.15044	1.9
92.47911	1.8
96.05756	6.0
97.06536	16.3
99.02687	7.0
101.04246	26.7
103.97546	5.1
104.98324	46.7
109.10118	2.2
111.02695	19.3
112.03457	23.4
113.04243	100.0
115.02148	4.8
116.98215	2.6
121.10170	2.2
125.66151	2.1
129.02246	2.0
129.03725	45.9
130.04475	8.9
131.05261	11.5
133.01396	2.9
136.95482	5.1
139.65063	2.4
141.07346	1.9
141.08359	2.1
142.99841	25.4
144.00609	7.9
145.01405	4.3
154.27940	2.3
161.00900	16.1
229.51205	1.9
233.38330	2.4
235.02823	58.8
276.16580	2.0
299.02692	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	389.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99322	3.2
58.99591	40.4
61.00845	2.4
61.01158	42.3
65.03947	2.2
67.05512	12.0
68.06274	2.6
69.06728	2.9
69.07076	50.3
69.55238	7.8
69.55666	7.4
70.99584	4.5
73.01150	27.2
73.56778	2.4
79.05500	8.1
82.59464	2.3
84.48116	2.1
85.01117	3.0
87.02666	2.6
95.04971	7.1
96.05735	9.1
97.01064	2.3
97.06543	31.4
99.02682	14.7
101.04247	50.5
103.97540	7.7
104.98321	88.7
107.08617	2.7
111.02657	19.4
112.03453	9.8
113.04237	87.8
113.75370	2.3
114.05049	2.2
115.02132	6.1
115.30791	1.9
116.98282	2.4
127.02125	4.2
129.03711	100.0
130.04515	17.9
131.05270	22.1
133.01418	8.1
136.95493	7.3
139.11185	2.4
141.07301	2.8
142.99844	20.9
144.00620	2.9
145.01399	6.5
154.60449	2.2
161.00923	25.8
175.35934	2.4
203.05673	4.3
235.02873	10.8
315.94220	2.2
325.04303	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	389.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70621	2.4
58.99593	36.6
61.01155	34.7
61.55181	2.0
67.05503	15.0
68.80730	2.6
69.07072	37.1
70.80602	5.1
70.99564	3.8
73.01138	24.8
79.05495	7.5
82.07824	2.9
85.01132	2.3
87.02706	3.2
95.04942	3.9
96.05737	7.5
97.06536	30.2
99.02699	14.6
100.19671	2.2
101.04242	40.5
103.97536	7.2
104.98325	77.3
108.09373	3.9
108.76122	2.2
109.10144	2.9
111.02657	21.3
112.03449	17.4
113.04236	100.0
115.02148	7.8
127.02125	3.1
127.09527	2.9
129.03709	85.7
130.04509	14.9
131.05302	20.5
133.01427	5.2
136.54152	2.1
136.95479	8.3
142.99876	34.4
144.00674	3.8
145.01416	6.9
150.30164	2.3
151.60275	2.5
161.00932	26.6
177.66022	2.3
208.35420	2.4
235.02890	20.7
247.74239	2.4
325.04263	5.4
335.53879	2.3
408.73508	2.9
414.79126	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	389.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02929	1.2
55.01880	7.2
55.05491	1.5
56.05031	2.8
58.06605	22.4
58.99584	5.9
61.01146	2.8
63.62749	1.3
67.05499	1.6
68.05032	3.4
69.31049	6.4
69.31473	4.5
70.06596	14.0
72.08154	1.9
73.00839	1.1
73.01152	12.2
74.00685	7.1
76.02244	1.6
76.04007	1.9
80.05046	1.2
82.06588	1.6
83.07350	4.2
84.04499	12.0
84.08144	10.7
85.02899	1.5
85.04036	6.1
86.09706	4.8
88.02229	1.3
92.01689	4.0
93.14439	1.2
99.02691	22.1
99.04447	2.8
101.04227	1.8
104.98326	13.4
107.99370	1.3
110.07183	1.9
112.03975	11.6
113.03472	1.7
113.06035	2.1
116.01695	7.6
116.05327	47.5
116.07099	28.4
120.08105	1.5
120.22810	1.1
121.07537	1.1
129.10216	2.6
130.04997	11.7
131.04530	5.5
131.30562	1.5
139.03920	8.0
144.01169	2.2
146.04477	1.1
147.02998	7.3
148.02469	9.9
149.92921	1.3
157.13400	1.5
162.02225	2.6
176.02003	1.9
177.03319	15.5
188.01964	1.8
188.07101	3.0
202.05356	23.7
209.11736	3.5
219.08003	100.0
220.08376	2.1
227.12834	3.0
227.16502	1.9
240.09933	1.3
243.08601	1.2
251.05212	37.2
256.09784	1.2
259.11176	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	388.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	8.9
57.07077	6.5
58.56752	3.5
58.99572	10.8
61.01141	9.2
62.68161	4.1
67.05495	11.7
69.07062	22.8
70.06584	9.3
70.42953	6.5
70.43333	7.1
71.04992	5.4
73.01134	17.8
77.13586	4.0
79.05479	16.2
81.07046	10.4
87.02662	4.0
91.05477	4.8
95.08624	7.3
97.06526	24.9
98.06062	5.6
99.02713	4.9
101.04233	18.8
102.96740	9.9
103.97522	7.6
104.98333	38.5
109.10178	6.5
111.02705	6.8
112.03455	11.0
113.04240	100.0
115.08703	7.0
116.07057	5.8
119.08595	5.6
121.81847	4.9
129.03729	23.9
131.05313	8.8
133.10081	4.0
136.95482	6.6
145.01418	14.0
147.00958	3.9
168.92673	9.2
175.01523	5.3
177.07816	4.3
242.24799	10.8
324.71826	4.1
332.13251	8.0
344.27936	5.7
359.13135	4.0
388.26541	6.6
389.27066	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	388.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.6
57.07069	11.9
58.99564	16.2
61.01139	8.5
67.05495	12.6
68.05016	4.0
69.07062	26.1
69.59036	13.5
69.59464	12.9
70.06566	14.7
71.04963	6.4
73.01132	14.1
79.05489	16.5
81.07073	7.0
83.04985	7.4
84.37343	3.8
85.01087	4.1
93.07076	4.0
93.66476	4.1
93.83823	3.7
94.27068	3.7
95.04945	4.4
95.08599	6.4
97.06532	20.1
97.83516	3.5
97.91511	3.8
98.06072	5.9
99.02676	7.1
101.04256	18.5
102.96761	10.3
103.97510	7.2
104.98322	42.6
111.02667	10.9
112.03453	14.7
113.04240	100.0
114.05049	4.2
115.08681	5.8
116.07079	6.8
116.98311	4.5
117.74360	3.8
121.10192	4.6
129.03697	28.3
130.04480	7.2
131.05219	8.9
135.94658	5.2
136.95518	5.6
142.99809	6.1
145.01401	10.7
168.92712	6.1
171.08304	3.5
175.01607	21.8
176.01813	11.7
194.99518	4.1
219.05109	5.1
227.95950	3.9
242.24832	23.2
262.25378	3.8
280.26352	5.7
298.27161	5.2
332.13297	17.6
333.13687	6.7
344.27863	9.9
388.19662	5.1
388.26736	13.4
389.27014	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	388.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74979	4.7
55.05523	4.9
58.99556	4.7
67.05496	5.9
69.07064	10.9
70.06590	14.5
70.81982	4.6
71.04984	18.0
71.55212	7.8
72.08155	9.3
73.01135	8.9
78.27965	4.4
79.05466	6.4
81.07056	10.0
84.04516	5.9
84.08138	13.9
85.02901	7.3
85.06568	10.5
86.09702	14.8
87.11072	4.0
91.05487	9.2
93.07035	14.3
95.08611	15.1
97.06548	31.9
99.02696	5.7
104.00757	5.1
104.85600	5.0
104.98327	11.5
105.07043	17.1
107.08616	23.1
109.06537	5.5
112.03410	4.8
113.04246	32.3
117.06977	5.6
119.08573	9.8
120.08076	6.6
121.10164	38.3
123.99439	4.6
125.86684	4.4
129.03703	9.9
129.10258	7.7
131.08591	7.9
133.10149	100.0
135.08044	17.3
147.11713	19.2
149.09668	5.8
149.13281	17.5
157.65062	5.0
158.10957	7.4
173.13304	27.4
186.14743	5.1
191.14317	94.2
226.96912	8.1
252.08768	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.3
55.01867	6.7
55.05513	1.7
56.05033	4.4
57.03443	6.7
58.06597	3.5
58.73161	0.8
58.97263	0.8
58.99583	2.1
60.04531	1.5
61.01149	2.2
61.02929	6.4
64.85944	1.0
66.30910	0.8
67.05508	1.5
68.05025	1.1
68.99781	2.1
69.03434	34.8
69.07066	3.4
70.03770	1.7
70.06596	10.9
70.95442	1.6
70.95749	1.3
71.01393	1.1
71.04986	3.6
72.04494	0.9
72.08163	7.6
73.01146	5.9
73.02911	5.8
74.01450	1.1
74.06086	1.4
75.00710	2.3
79.05499	3.8
81.02981	1.5
81.03426	22.4
81.07050	1.7
82.06575	1.1
83.01334	2.3
83.04974	1.0
84.04497	8.6
84.08147	11.6
85.02908	100.0
86.03255	1.8
86.09711	7.1
87.00835	35.3
87.04456	1.0
88.04014	2.0
91.03979	2.0
91.05489	1.9
93.07019	1.7
94.06551	1.6
95.01333	4.4
95.04974	3.0
95.08614	1.4
96.01669	1.7
97.02900	31.1
97.06551	1.6
98.03246	1.2
99.02682	2.6
99.04443	14.1
103.03960	1.5
103.05467	2.2
104.98340	2.5
105.01873	56.9
105.07038	31.1
106.07372	1.0
106.99840	1.1
107.08596	1.0
108.04494	2.9
108.99455	1.3
109.02888	27.3
110.07171	4.9
113.04249	2.5
115.03913	1.1
115.05798	2.7
116.01711	1.2
116.05319	5.7
116.07125	3.2
117.01868	2.4
119.08581	2.0
120.08152	5.6
122.06031	1.9
123.04398	1.1
125.06019	3.2
126.05512	2.2
126.06362	2.4
127.03925	64.7
128.04297	1.2
129.01863	3.0
129.10258	6.0
130.05034	2.6
137.05995	2.0
137.70502	0.9
145.01378	1.0
145.04965	34.2
147.02924	4.0
147.08017	1.2
148.07617	3.3
151.07487	1.5
153.05495	3.8
154.05817	3.0
159.02895	15.5
159.07840	1.2
167.08241	2.7
177.03558	1.5
189.03946	3.6
194.08281	1.1
202.05441	2.1
207.13771	1.5
208.14204	3.4
213.03984	2.6
213.09097	2.3
215.05501	4.3
215.18205	0.9
216.05838	5.8
217.06030	1.2
219.07977	7.6
230.06703	1.9
231.05002	23.8
248.07686	1.9
249.06029	6.3
251.05174	3.6
339.21658	1.0
365.03748	0.9
388.15973	2.1
388.20358	1.5
388.26929	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01881	9.0
55.05498	2.1
56.05032	5.3
57.03427	5.1
58.06580	3.1
58.75165	0.9
61.01144	2.8
61.02933	5.5
67.05501	2.7
68.99788	2.7
69.03434	37.6
69.07048	3.7
70.03741	1.5
70.06596	14.6
71.04983	3.7
71.55011	2.2
71.55379	1.3
72.08163	6.1
73.01132	5.2
73.02921	5.8
74.06058	2.2
79.05491	3.0
81.02979	1.7
81.03419	20.8
81.07053	2.2
82.06583	2.1
84.04497	9.5
84.08147	14.1
85.02909	100.0
86.03238	1.4
86.09706	10.1
87.00828	35.5
87.04446	1.2
91.03949	2.0
91.05480	1.6
92.87190	1.2
94.06558	2.0
95.01335	3.0
95.04956	3.0
95.23282	1.1
96.01640	1.5
96.08138	1.6
97.02896	27.4
98.06004	1.3
98.97363	1.1
99.02650	3.3
99.04459	13.8
102.05552	1.5
103.03972	1.5
103.05442	2.7
104.98297	3.7
105.01869	66.3
105.07031	42.1
108.04462	3.5
109.02888	28.9
110.07137	4.4
111.02664	2.1
113.04220	3.6
115.05796	2.1
116.05342	6.8
116.07102	5.3
117.01853	2.4
119.08610	2.2
120.08109	6.9
122.05975	1.3
125.05966	4.2
126.05511	1.6
126.06352	1.4
127.03925	65.9
128.07066	1.7
129.01839	3.5
129.10252	6.2
130.04980	3.4
133.06470	1.1
137.05983	1.9
145.04967	37.0
147.02895	4.0
147.08002	1.5
148.02435	1.6
148.07542	7.0
151.07541	1.5
152.05301	1.7
152.07890	1.4
153.05449	2.7
154.05801	3.2
159.02911	14.6
159.07771	1.4
160.04335	1.5
164.11580	1.8
167.08224	2.5
170.08028	1.3
170.53909	1.0
172.49258	1.0
174.97070	1.3
177.03230	1.5
189.03940	4.2
194.08122	3.3
202.05309	2.0
202.08936	1.4
208.14171	1.9
213.03912	2.3
213.09117	3.1
215.05507	3.9
216.05847	5.1
219.08025	12.4
220.08331	1.6
230.06485	1.9
231.05023	20.9
231.10217	2.0
240.00746	1.2
249.06137	6.5
251.05167	4.0
252.05522	1.4
352.18427	1.6
388.20319	2.7
388.26791	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
52.15306	6.3
55.05528	7.9
56.18082	6.1
67.05512	15.9
69.03428	42.5
69.07079	8.8
69.84943	28.2
70.06600	70.3
72.08168	37.4
79.05527	9.8
81.03410	12.7
81.07050	21.5
83.05002	7.8
84.04507	9.3
84.08144	61.9
84.26415	7.3
85.02919	96.7
85.06528	9.1
86.09727	65.3
91.05492	11.4
93.07010	12.0
95.08595	57.2
97.02884	11.3
99.04439	14.0
104.98312	7.2
105.07027	13.6
107.08621	12.2
109.10149	29.3
113.06033	8.2
116.07102	13.2
119.08563	23.9
121.10165	9.3
123.08077	22.8
123.11726	100.0
125.05987	17.4
127.03923	17.3
129.10254	23.4
135.11763	9.9
145.10161	7.0
147.11649	20.6
149.09625	33.5
151.07597	19.9
160.04291	12.3
163.11171	11.6
165.12769	8.9
189.12779	30.2
201.12480	9.3
204.59464	6.7
207.13837	98.4
225.11461	7.6
225.14885	39.3
333.16946	13.7
351.18033	30.6
369.19199	17.1
387.20255	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2532
Annotation	Atranone E
Peak:m/z	Relative Intensity
53.03944	3.1
55.01886	5.5
55.05519	18.1
57.03433	2.7
57.07068	2.6
59.04998	1.1
65.03950	2.0
67.05167	1.7
67.05514	28.7
69.03426	6.3
69.07068	13.5
70.06604	1.2
71.01376	1.4
71.04998	2.8
71.56001	1.3
73.06545	1.5
77.03940	1.0
79.05059	1.6
79.05498	24.1
81.03428	18.1
81.07061	28.0
83.05000	6.5
83.08628	5.9
85.02899	4.5
91.04973	2.0
91.05489	29.8
93.07053	25.0
95.01326	4.0
95.04973	11.0
95.08048	1.6
95.08620	22.1
97.02917	6.8
97.06525	2.9
97.10158	5.2
99.04449	1.9
103.05475	1.6
105.07040	29.8
107.04978	7.0
107.08602	16.8
109.02888	3.0
109.06521	4.4
109.10177	9.2
111.04440	7.4
111.08098	2.4
113.05972	1.1
115.05463	3.7
116.06229	1.3
117.07034	19.9
119.08592	24.0
120.07413	1.0
121.06508	4.4
121.10150	9.6
123.04432	8.8
123.08093	2.9
123.11723	2.0
125.09606	2.0
127.03877	1.5
128.06215	6.2
129.07027	20.4
130.07811	1.1
131.04936	2.8
131.08582	27.0
133.06494	9.1
133.10123	14.9
135.08063	3.9
135.11714	5.9
137.05988	3.2
137.09698	1.1
139.11203	1.1
141.06990	8.0
142.07799	4.2
143.08585	21.0
144.09517	1.2
145.06517	9.8
145.10130	21.1
147.04367	1.1
147.08070	7.1
147.11700	9.2
149.05991	3.2
149.09618	4.1
149.13290	1.9
151.07494	1.5
153.07027	2.6
154.07794	1.8
155.08580	10.2
156.09317	3.1
157.06517	5.3
157.10149	15.7
158.07169	2.0
159.08105	7.2
159.11693	14.0
161.06003	3.3
161.09665	4.7
161.13300	3.6
163.07570	2.4
163.11214	1.5
165.07037	1.6
165.09064	1.7
166.07805	1.7
167.08597	5.5
168.09346	1.5
168.94505	1.0
169.10132	11.7
170.10928	1.1
171.08080	7.7
171.11705	14.7
173.09598	5.2
173.13312	10.2
175.07600	4.4
175.11198	4.8
175.14838	1.8
177.09061	2.0
177.12721	1.3
178.07707	1.2
179.08623	3.4
181.10144	6.1
183.08086	4.2
183.11674	9.2
184.08853	1.4
185.09689	5.3
185.13272	10.8
187.07564	3.0
187.11185	4.9
187.14894	4.3
189.09143	2.3
189.12767	3.1
193.10138	2.0
195.08073	1.4
195.11671	5.6
197.09631	4.4
197.13240	6.7
199.11237	5.9
199.14877	4.3
201.09125	2.2
201.12750	3.7
203.10707	2.5
203.14395	1.2
205.15918	1.3
207.11673	1.3
209.13318	4.1
211.11211	3.4
211.14818	3.2
212.24867	1.0
213.12778	4.7
213.16418	2.4
215.10760	1.7
215.14383	2.9
217.12254	2.3
219.13768	1.2
223.14801	3.4
225.12814	3.5
225.16338	1.8
227.14346	3.3
229.12230	2.1
231.13849	2.1
233.15414	1.3
235.14935	1.3
239.14281	3.2
243.13771	1.2
253.15961	1.6
255.17430	1.3
257.15451	1.6
257.19168	1.2
259.20587	1.4
271.16718	1.3
271.20642	2.2
277.21652	5.0
281.22638	1.0
283.20627	1.7
285.18399	1.4
285.21936	1.2
289.21808	2.4
291.23242	1.6
297.22260	2.3
299.16577	1.1
299.20160	1.8
299.23746	2.3
301.18073	1.6
301.21622	3.8
303.23361	2.8
309.18445	1.3
309.22037	2.3
313.21732	3.0
315.23172	2.2
323.23700	3.1
325.21600	1.4
327.19543	1.8
327.23157	8.9
331.22916	1.2
333.22110	1.6
341.24731	13.2
343.22763	2.1
351.23190	14.0
359.25824	2.7
369.24271	67.9
370.24457	2.3
387.25327	100.0
388.25693	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	387.2016
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03950	2.1
55.01876	1.8
55.05513	8.5
56.05031	2.1
57.03431	4.6
57.07066	2.2
57.46679	1.5
61.02923	6.1
67.05492	4.6
69.03084	1.9
69.03437	29.8
69.07064	4.6
69.62972	6.4
69.63384	3.8
70.06596	18.2
71.05029	1.8
72.08167	9.7
73.02923	2.3
79.05474	2.4
81.03438	8.8
81.07066	7.6
83.04990	11.5
84.04507	3.4
84.08153	12.8
85.02429	2.8
85.02911	41.5
86.09716	23.7
87.04484	3.1
87.05614	1.8
88.03963	1.7
91.03952	2.1
91.05508	7.5
91.36568	1.6
93.07030	4.7
95.08616	6.5
97.02905	14.1
97.06532	1.7
98.20728	3.4
99.04449	7.8
99.29858	1.5
99.31376	1.7
103.04017	1.6
104.07114	3.1
104.98339	1.7
105.07043	17.7
107.08604	5.1
107.09530	1.3
109.02857	4.9
109.10156	3.6
110.07172	2.1
116.07127	1.6
119.08586	34.0
119.80567	1.4
120.08118	4.0
121.10143	4.9
122.24046	1.5
123.08090	2.8
123.11713	2.1
127.03912	9.3
129.10233	6.9
131.08572	3.7
133.06503	2.4
133.10168	9.8
135.11835	1.7
137.05989	2.6
143.08562	2.6
144.02130	1.8
145.04948	4.5
145.10124	3.6
147.08064	3.3
147.11685	6.0
149.09621	1.7
151.07521	7.5
151.11192	3.3
156.09396	3.7
159.11674	2.7
160.04320	3.1
161.09607	2.4
161.13264	22.1
163.11198	2.4
165.09111	8.4
167.07082	1.8
171.11708	5.0
174.10417	1.7
174.54565	1.8
175.10789	5.7
185.16539	4.7
189.12764	60.6
195.72318	1.6
199.79184	1.6
207.13831	100.0
208.14124	2.9
213.15880	4.2
225.14876	40.0
325.90878	2.1
387.16052	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.9
56.96573	2.9
58.06578	1.9
63.02774	1.7
66.51171	1.7
69.03416	3.3
70.06599	24.1
71.53951	1.7
71.54347	2.3
72.08168	20.4
74.02442	16.0
79.44106	1.6
81.07104	1.7
84.04509	9.7
84.08155	14.6
85.02912	7.6
86.09708	7.8
88.03982	3.9
92.05013	3.5
97.02891	4.2
98.07431	1.5
98.08147	1.8
98.97585	4.6
103.03991	2.6
110.06057	100.0
116.03452	2.3
116.07066	2.0
116.98636	2.6
120.08095	5.6
123.05533	2.0
124.03958	3.3
127.03992	1.7
128.04259	1.6
129.10237	4.8
130.08630	1.9
134.06020	5.2
136.06111	2.6
138.09114	2.3
146.99710	2.7
151.02109	2.1
161.07149	8.8
162.05490	1.8
166.08650	2.1
167.07002	6.2
170.08109	3.7
175.11967	2.0
179.08154	11.3
190.04977	2.5
200.00571	2.2
203.10271	3.1
207.07648	17.0
216.54124	2.9
217.11847	5.3
222.07884	2.2
223.04239	12.2
225.08746	49.1
229.32187	1.9
267.09622	2.5
354.11212	2.0
387.26941	5.7
390.70114	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03948	0.7
53.38693	0.3
55.05501	0.3
67.05486	0.3
69.03408	0.4
69.07056	0.4
70.06584	0.4
70.37262	0.9
73.01140	0.3
79.05497	4.4
79.76395	0.3
81.03423	0.7
84.08170	0.3
86.27556	0.2
87.01672	0.3
90.68824	0.2
91.05481	0.3
93.07047	0.3
95.04972	1.0
97.06540	0.5
99.02695	0.4
101.42648	0.2
103.05478	2.4
104.68071	0.2
105.07036	100.0
106.07352	1.1
113.04268	0.8
119.04968	1.5
121.06503	0.6
139.05780	0.3
142.99805	0.3
153.97668	0.3
175.01541	0.4
212.06427	0.2
240.88045	0.3
260.30286	0.3
276.46927	0.3
331.13174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37832	0.6
56.05028	2.0
59.96761	0.9
60.05053	0.6
63.94459	0.6
70.06593	2.8
70.81050	1.6
72.08146	1.4
72.11327	0.6
72.99868	0.7
74.00646	1.2
75.01432	0.9
76.02233	1.7
76.04001	3.5
78.96797	2.2
84.04514	31.9
84.08139	2.4
85.02939	0.8
85.04037	16.5
86.09721	2.0
88.04005	1.4
88.95213	3.4
91.05473	0.8
102.05570	0.9
105.97852	100.0
110.07176	0.8
110.93965	73.5
113.03501	6.1
130.05017	11.1
131.04541	33.9
136.07623	0.8
136.95483	1.1
143.04559	3.2
151.34033	0.7
153.98151	27.7
159.14290	0.7
164.95058	1.4
167.07094	1.7
171.07700	0.6
171.98909	1.0
177.03297	2.6
209.00526	18.6
224.16544	1.0
233.91272	0.6
239.98206	23.9
250.01283	0.6
257.00867	32.5
275.01688	1.3
293.00903	1.4
307.14288	0.6
311.01917	7.3
323.01929	1.5
369.02512	1.1
386.05008	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.3
55.01869	3.1
56.05027	0.8
57.03426	2.2
61.01141	0.6
61.02915	2.5
68.99788	1.3
69.03075	0.9
69.03432	9.0
69.07060	0.9
69.55687	5.2
70.06576	2.2
71.04995	1.8
72.08157	1.5
73.01123	0.6
73.02916	2.5
81.03423	11.9
83.41059	0.7
84.04529	1.3
84.08159	1.4
85.02907	31.4
86.09729	3.7
87.00840	11.0
87.04445	1.0
91.03947	1.0
91.05493	3.5
93.07033	5.0
95.04969	1.3
97.02900	13.0
98.06097	1.0
98.21456	1.6
99.04470	4.8
102.54823	0.7
103.05472	3.8
105.01867	9.0
105.07104	0.9
107.04965	2.1
108.04469	4.0
109.02897	11.5
112.11295	3.4
113.00343	1.0
113.04252	1.6
117.01862	1.4
121.06512	100.0
122.06821	1.0
126.05525	1.7
127.03919	21.8
129.01871	1.5
133.06488	0.8
137.06018	1.5
145.04956	10.6
145.06558	1.1
147.02904	2.3
159.02902	9.2
159.08173	0.8
160.85394	0.7
163.07552	1.0
172.02562	0.9
173.67143	0.7
202.05867	2.1
213.03894	0.8
215.05569	0.9
227.13878	1.5
230.06630	1.2
231.05038	2.7
248.07423	0.7
291.53702	0.7
328.44958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89941	0.9
51.48600	1.0
55.01862	3.3
55.05511	2.4
56.05027	2.0
57.03419	1.9
59.83006	1.0
61.02917	2.6
69.03435	8.6
69.07076	1.2
70.06592	18.2
71.04986	1.5
71.55061	1.4
72.08157	21.5
72.32519	0.8
73.01131	0.9
73.02918	1.1
74.00671	7.5
74.21615	0.8
75.01038	1.2
76.00250	6.7
77.00597	1.0
77.57137	0.8
79.05465	1.3
81.03395	3.0
81.07067	1.7
84.04507	10.3
84.08147	5.3
85.02428	1.7
85.02912	25.2
85.04028	1.7
85.04850	2.2
86.09717	15.3
86.92790	0.9
87.04459	1.3
88.04018	1.0
91.03955	0.9
91.05481	2.7
93.04494	0.9
93.07029	3.3
95.08577	1.6
97.02891	5.5
101.74021	1.0
105.07038	2.2
107.08604	1.8
109.02853	1.5
109.10130	1.0
110.07166	3.6
112.03967	2.9
112.11263	1.1
113.04278	1.1
113.07227	1.0
115.05447	1.3
116.07108	10.4
117.05797	1.4
117.06964	1.4
118.06550	32.0
119.04944	1.0
119.08601	4.0
120.08108	2.3
121.10164	7.8
123.08085	1.1
125.27345	0.8
127.03911	1.9
127.08646	1.2
129.10257	4.3
130.04166	1.2
130.05040	11.8
130.06528	23.2
130.08640	0.9
131.04565	2.0
131.05351	4.8
131.07295	1.8
131.08554	0.9
132.08107	8.0
137.06010	1.9
137.09598	1.2
142.06551	2.5
143.07277	1.2
143.11812	2.4
144.08078	6.4
145.04968	1.5
145.06442	1.8
145.10136	1.7
146.06018	18.7
147.04359	1.4
147.08073	1.9
152.03659	5.9
153.03949	2.1
156.08136	1.1
158.03624	2.8
159.11693	1.2
160.07587	29.5
163.11143	4.2
167.07066	2.9
170.06018	12.1
171.11279	3.4
173.06000	4.2
177.03307	3.0
177.12761	1.1
178.03659	2.1
179.02910	1.7
179.10684	2.5
180.03220	1.2
186.03139	2.2
188.07077	31.8
201.05498	32.8
205.12244	35.8
206.08139	100.0
207.06477	1.2
207.13901	2.1
208.06815	1.6
215.13934	1.9
223.13316	23.8
227.47839	0.9
229.15459	2.0
231.06506	1.0
238.03960	1.1
239.04016	2.8
255.06364	2.7
256.06650	3.8
270.18112	1.9
293.09869	1.3
310.07547	1.6
323.33197	1.1
353.10135	1.5
385.18515	15.7
390.49704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02815	0.3
53.11063	0.4
54.96311	0.4
55.01869	0.5
55.05502	0.8
58.19147	0.3
58.99580	0.3
61.01141	0.6
67.05500	0.7
69.03418	1.2
69.07053	1.2
70.06599	5.4
71.54549	0.4
72.08149	1.5
73.01134	0.7
78.04713	0.8
79.05464	1.3
80.81152	0.3
81.07034	1.0
83.08630	0.5
84.04486	0.6
84.08143	1.8
85.02898	1.4
86.09720	2.4
87.56524	0.5
91.05478	2.4
93.07040	0.9
94.21467	0.4
95.01309	0.5
95.04950	0.9
100.11215	0.8
101.04240	0.5
102.04691	0.9
102.05537	0.4
103.05459	1.3
104.98331	0.6
105.07026	0.8
107.04943	1.3
107.08591	0.6
110.07184	0.4
111.04375	0.5
113.04250	0.7
115.05450	2.6
117.07008	2.1
118.06834	0.5
119.04946	1.4
119.08589	0.7
120.08096	1.6
121.06526	1.0
123.04414	0.9
125.06044	0.5
128.06219	0.4
129.10233	1.1
130.04150	1.4
130.06505	0.7
131.04929	1.6
132.05708	1.1
133.02919	0.5
135.04379	0.5
137.05962	0.8
139.04588	0.5
140.04718	1.2
143.04926	1.4
145.01450	0.6
145.06497	3.3
147.04419	1.3
149.05954	0.7
151.03903	0.4
153.05478	1.0
155.07047	1.5
158.03632	7.8
159.09187	0.6
160.05267	0.6
161.05975	0.6
162.03088	0.4
165.05484	0.8
167.07060	6.2
170.03679	0.7
172.02502	1.0
173.06000	11.7
175.03835	0.7
175.07449	0.4
177.05437	0.8
179.06999	0.4
179.08426	0.7
180.07831	1.1
181.04965	0.5
182.09306	0.4
185.05980	0.5
186.03116	8.1
187.07495	0.6
189.07010	0.8
191.07016	0.9
191.08517	0.7
192.07770	0.7
193.04988	0.5
201.05473	100.0
202.05884	2.2
203.07019	0.8
205.06589	0.8
205.12393	0.5
207.08081	1.2
209.08052	0.6
210.08830	0.6
213.05513	2.9
215.05475	0.6
218.07303	1.1
219.08087	0.9
220.05060	0.6
221.05930	1.3
224.01994	1.1
229.06190	0.5
231.06473	3.8
234.06786	0.9
235.07550	2.2
238.06512	0.4
245.06142	0.4
246.06670	0.6
247.07526	0.9
248.04514	0.6
248.08325	0.5
249.05479	1.2
251.07054	0.6
257.05914	0.6
260.05014	0.5
261.05344	0.6
262.06216	0.7
263.07053	1.7
264.07852	1.0
265.04831	0.5
266.05576	0.5
274.06326	0.6
275.06885	0.9
276.07797	0.5
277.04941	1.0
278.09555	0.5
291.06506	0.5
292.07233	1.5
295.09613	1.1
303.04678	0.4
303.06281	0.4
305.04416	0.7
307.06046	0.4
307.09570	0.6
309.07617	0.6
320.06888	0.5
321.07672	0.6
323.09042	0.9
335.09045	1.6
353.10269	2.0
355.12018	1.0
367.11606	1.0
385.12836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54159	4.4
55.05515	4.4
57.03431	5.7
60.91806	3.4
67.05489	4.1
69.03436	37.5
69.62897	21.7
70.06599	33.9
72.08157	14.6
73.01142	10.7
75.98734	3.3
79.05501	7.9
80.61288	3.7
81.03423	9.6
81.07061	3.9
84.08144	15.0
85.02908	54.1
86.03259	7.4
86.09702	20.3
87.00836	10.5
88.26836	3.2
92.00289	3.8
93.07033	3.8
95.01336	53.7
95.04979	6.6
97.02912	11.1
97.06518	6.2
105.01855	9.5
106.02185	6.2
106.99914	4.8
109.02912	4.8
110.07141	6.5
111.04478	4.9
111.49095	3.5
112.54298	3.7
120.08099	3.9
123.04419	4.6
125.05990	49.7
127.03953	19.0
128.04266	8.8
129.10211	6.1
137.06000	12.9
145.04980	8.8
151.03998	4.7
152.05344	4.1
153.05473	58.7
156.99068	3.7
167.07037	11.0
186.03130	6.1
201.05495	49.9
205.12236	8.1
210.23650	3.9
215.05533	100.0
223.13376	7.7
231.06619	4.3
231.17641	3.5
232.05302	4.0
255.08641	26.4
337.11908	3.6
346.29477	3.5
369.07709	3.4
391.36780	3.9
405.56552	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	385.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.7
61.01150	5.8
64.18014	4.2
69.03425	21.1
69.07066	11.1
69.73254	22.7
70.06609	5.4
73.01153	37.9
79.05481	5.5
85.02930	31.5
86.09710	5.7
95.01335	51.7
95.04970	6.5
96.97815	7.7
97.02888	4.0
97.06525	11.6
98.97352	5.7
104.98312	5.3
106.99887	8.2
115.37366	4.1
123.04431	11.1
125.05994	39.9
125.75715	4.5
137.05933	5.5
143.06950	7.7
151.03894	8.5
153.05478	51.6
168.92139	5.5
170.97708	19.5
197.04427	13.2
201.05431	6.7
215.05508	100.0
246.56143	5.3
255.08559	5.6
376.14523	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	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63572	1.6
54.37217	1.4
55.01868	4.0
56.96564	1.8
61.64989	2.0
67.05491	1.9
69.03429	1.9
69.37231	13.5
70.06597	10.4
72.08150	4.2
79.05492	5.8
84.08141	7.2
85.02885	6.0
86.09686	4.4
87.04454	2.3
88.02215	3.0
91.05499	4.9
95.01349	2.3
95.04987	4.2
97.02885	2.6
99.04434	3.0
99.05501	1.6
103.05465	7.3
105.07034	62.9
107.04927	3.1
110.07172	5.3
115.05464	15.0
115.98487	1.6
117.07045	3.1
118.04155	2.5
119.04919	2.0
120.08137	3.0
123.04425	7.5
125.83359	1.6
127.03901	1.8
129.06993	2.1
129.10248	3.5
131.04945	4.7
132.05774	2.2
133.06487	54.4
134.02711	5.3
136.06216	9.7
140.04753	2.1
143.04994	2.9
143.06088	5.5
145.06476	7.5
150.84065	1.9
151.03928	3.7
155.07030	4.8
157.06494	3.0
159.04507	2.0
161.05988	100.0
167.07028	24.4
173.05948	3.2
175.03889	3.4
175.07550	4.4
181.04988	1.9
183.06557	2.6
188.04672	2.4
189.05394	2.0
190.06277	2.3
191.07111	2.5
193.08617	63.7
201.05460	4.3
205.08652	6.1
207.06502	5.7
215.07031	2.5
217.08636	1.9
219.06557	3.7
220.07172	2.1
221.08072	2.2
229.05019	2.0
231.06537	5.3
233.04471	4.8
233.08124	6.0
235.09587	2.0
245.08075	2.6
251.05551	2.2
251.06412	2.0
251.09155	21.1
257.04477	1.8
258.41281	1.9
261.07504	11.5
263.08990	3.7
275.09161	3.5
279.08676	2.2
289.07217	2.5
290.65140	2.0
293.10153	4.0
307.07965	4.6
319.08017	2.1
385.26019	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	385.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19506	3.0
51.57858	3.2
54.06745	3.0
55.77776	3.0
56.42364	3.5
57.33314	3.8
68.03903	3.1
69.03432	23.2
69.36002	30.4
73.01142	35.1
73.74336	3.6
79.05454	4.3
83.83365	3.4
85.02913	21.5
95.01334	40.4
95.04959	13.4
96.97823	5.6
97.06551	6.8
104.98334	4.6
106.99873	10.2
123.04504	5.2
125.05995	35.9
127.03865	4.0
134.28777	3.4
136.05923	4.1
143.07037	4.7
151.03883	7.3
153.05473	45.0
170.97690	9.9
197.04465	11.5
215.03549	6.5
215.05513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36765	4.1
55.44096	4.6
57.03444	4.7
69.03439	33.2
69.35920	29.7
69.36340	11.4
69.82168	3.9
73.01144	21.8
78.68361	5.0
79.05488	5.5
80.71188	3.9
85.02898	27.3
86.09705	9.1
95.01330	45.4
95.04954	9.7
97.06571	6.3
106.99894	6.2
107.10587	4.5
109.06475	5.0
113.02343	4.7
113.03260	4.4
124.35928	4.2
125.05993	41.7
126.02260	4.0
127.03919	7.7
141.05482	4.5
141.38120	4.3
151.03876	5.0
153.05482	45.6
163.50357	4.4
166.06189	5.7
170.97693	10.1
197.04465	11.9
209.01112	8.1
215.05518	100.0
255.08679	12.1
388.59814	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	384.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34373	1.6
53.99736	1.7
64.63882	1.9
67.05494	3.2
69.40565	7.4
69.40988	9.8
70.06570	4.7
72.26640	1.8
72.93789	3.6
74.62540	1.8
80.39591	1.9
81.07048	2.2
82.23611	1.8
86.09745	2.4
87.04458	2.3
93.07133	1.9
107.04942	5.7
107.44567	2.0
113.04249	2.3
115.84308	2.0
121.06538	3.7
122.66107	1.9
151.03828	2.1
168.06345	2.0
181.96606	15.2
192.95963	3.4
196.99016	2.1
199.97693	14.8
206.97502	4.0
207.05679	2.4
209.96121	10.4
211.00600	2.4
217.98715	4.4
221.80249	1.9
224.98441	93.8
227.97173	19.7
242.99525	100.0
243.99889	2.3
248.00087	13.7
266.01102	5.8
301.01501	7.9
303.03174	23.4
326.04675	2.3
343.02628	86.4
344.02863	4.2
349.03702	5.1
361.03702	81.1
375.05246	3.2
384.05328	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03955	5.4
55.01879	2.8
55.05518	19.5
57.07075	13.2
59.05000	6.3
65.03930	4.4
67.05510	38.3
69.03442	12.9
69.07072	9.5
69.79472	9.8
71.04997	8.0
79.05495	35.9
81.03412	3.7
81.07061	41.7
83.04983	6.3
83.08620	3.4
83.40551	2.0
85.06554	6.0
91.04909	2.6
91.05487	54.4
93.07053	100.0
95.04980	31.0
95.08607	41.0
97.06538	15.5
103.05472	3.1
105.07040	77.8
107.04923	4.3
107.08604	42.6
109.06523	23.7
109.10174	19.0
110.67909	2.2
111.08091	8.1
115.05501	4.3
116.06295	2.6
117.07033	11.4
119.08600	56.9
119.09458	2.9
120.09419	4.2
121.06528	11.0
121.10150	54.3
123.08072	36.7
123.11717	2.3
128.06264	8.5
129.07018	11.2
130.07817	5.8
131.08578	30.7
133.06474	12.9
133.10130	28.3
135.08084	30.7
135.11726	8.1
137.06006	4.1
137.09616	14.0
141.06981	6.1
142.07796	18.9
143.08582	23.2
144.09341	4.9
145.06465	3.4
145.10135	38.8
146.07307	3.4
147.08057	29.1
147.11708	15.6
148.08884	3.8
149.09627	32.5
150.10371	2.3
151.07567	38.1
153.06932	2.2
153.09106	4.4
155.08580	6.5
156.09352	9.8
157.10150	39.4
159.08061	8.8
159.11681	17.7
161.09637	19.4
161.13330	10.9
163.11180	6.9
165.09132	48.0
168.09384	2.7
169.10141	7.2
170.10977	6.0
171.11710	8.1
173.09674	11.5
173.13277	8.3
174.10286	2.9
175.11189	21.5
175.14780	5.6
177.09131	13.2
178.09834	3.3
181.10103	4.4
181.12225	4.0
183.11699	6.5
185.09651	2.9
185.13278	15.8
187.11169	5.0
187.14914	3.3
189.12750	9.6
191.14333	6.2
193.10185	2.8
195.11641	3.9
197.13277	9.0
199.11252	4.9
201.12767	11.7
203.14339	34.3
207.12018	3.8
207.13783	17.2
209.13335	5.3
209.15274	4.0
211.11279	2.2
211.14888	4.2
213.12593	3.6
215.14305	5.2
216.15182	3.1
219.13834	7.5
221.13399	4.4
221.15373	86.4
223.54080	2.1
225.12868	3.0
225.16370	2.4
227.14258	2.8
227.17865	2.5
229.12222	2.6
231.13922	5.2
233.13231	2.3
233.15378	6.7
234.16125	22.4
237.14799	3.7
243.13901	5.3
249.16254	3.8
251.17812	2.6
257.15277	2.7
281.18951	3.8
286.19211	4.6
287.20004	8.2
299.20068	6.8
300.20807	2.5
303.19565	9.7
309.18488	4.7
347.23615	2.4
365.24805	12.1
383.25824	67.6
384.26096	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
55.01874	5.0
55.05498	14.1
57.07090	14.4
59.04998	9.1
67.05221	3.5
67.05513	37.0
69.03419	14.9
69.07050	10.3
71.04975	4.5
71.07309	4.2
71.07643	4.4
71.18465	3.3
79.05502	31.1
81.07061	33.7
81.70683	3.1
83.04976	8.4
83.08581	4.3
85.06557	9.7
91.05489	47.1
93.06471	5.3
93.07052	100.0
95.04986	30.9
95.08617	32.9
97.06518	13.5
103.05454	4.7
105.07037	80.3
105.07758	4.0
107.05030	3.2
107.08599	45.8
109.06508	21.6
109.10156	26.3
111.08115	8.2
115.05458	5.8
117.07042	17.6
117.07742	2.8
119.08584	59.4
120.09386	3.6
121.06499	17.8
121.10146	47.5
123.08054	29.3
128.06187	7.5
129.07010	9.1
130.07782	5.0
131.08559	30.3
133.06493	7.4
133.10152	34.1
135.08066	25.5
135.11684	5.9
137.09584	10.6
138.22096	3.0
141.06949	5.8
142.07800	19.6
143.08565	19.5
144.09280	7.3
145.10141	39.6
146.07292	2.9
147.08061	22.0
147.11659	16.9
149.09625	31.8
150.10316	3.5
151.07544	39.9
153.09084	3.6
155.08592	5.9
156.09329	9.8
157.10124	46.5
159.08046	12.4
159.11717	16.0
160.08803	3.8
161.09642	20.6
161.13255	10.0
163.11154	7.0
165.09131	37.7
167.08492	3.4
169.10193	8.5
170.10966	6.9
171.11667	12.0
173.09633	13.2
173.13258	12.5
175.11205	25.8
175.14839	8.7
177.09070	16.5
178.09982	4.5
181.10149	4.4
183.11723	5.0
185.13303	20.5
187.11237	7.9
187.14922	4.6
188.11920	3.7
189.09085	4.6
189.12708	12.3
191.14398	3.4
193.10091	2.9
195.11816	4.3
197.13336	6.3
201.12720	11.0
203.14337	29.0
207.11920	4.8
207.13815	13.8
209.13297	5.3
213.12608	5.0
215.14305	8.1
219.13794	8.9
221.15376	86.2
223.14989	3.6
225.12746	5.2
227.14351	5.3
233.15376	9.2
234.16191	25.0
239.14430	3.5
243.13638	4.0
265.41071	3.0
276.90286	3.2
285.18515	3.3
286.19220	4.9
287.19977	6.1
299.20056	7.5
303.19382	10.7
347.23660	3.8
365.24707	13.3
383.25815	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2584
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03951	8.7
55.01874	4.4
55.05518	16.6
55.22029	3.1
57.07069	9.5
59.05000	7.4
65.03939	2.9
67.05510	28.0
69.03439	18.1
69.07066	11.5
69.76344	13.8
69.76755	6.1
71.04990	4.8
79.05497	31.5
81.03426	4.1
81.07070	34.2
83.04984	12.0
83.08610	5.8
85.06557	7.9
91.05492	51.6
93.07050	100.0
95.04992	36.3
95.08614	42.3
97.06549	14.6
104.89211	3.4
105.07039	90.0
107.04997	5.6
107.08604	44.1
109.06533	25.8
109.10159	24.3
111.08098	9.5
113.09666	3.3
117.07023	16.4
119.08595	63.5
120.09312	4.6
121.06528	15.6
121.10160	42.4
122.07351	4.3
123.08083	29.7
125.09626	6.6
128.06233	9.8
129.07019	15.4
130.07806	4.8
131.08582	36.3
133.06503	10.8
133.10161	30.8
134.63669	4.1
135.08043	26.1
135.11703	5.6
137.09633	10.5
141.07054	7.0
142.07780	23.2
143.08562	24.2
145.06516	6.7
145.10132	44.4
146.07326	4.0
147.08046	25.0
147.11757	18.3
148.08812	6.3
149.09671	24.4
151.07541	46.4
155.08618	8.3
156.09293	7.4
157.10162	46.9
158.10864	4.4
159.08086	9.6
159.11707	14.7
160.08839	4.0
161.09666	20.8
161.13223	7.5
163.11205	7.7
165.09108	35.9
167.08630	5.2
169.10220	5.0
170.10904	8.3
171.08206	4.2
171.11752	7.3
173.09656	11.5
173.13307	13.2
175.11182	24.4
175.14828	8.3
177.09172	13.6
179.08580	3.6
181.10213	3.7
183.11794	7.0
185.09599	3.6
185.13263	17.4
187.11278	4.8
187.14722	4.0
189.12764	10.9
195.11728	6.3
197.13339	11.3
199.11288	7.5
199.14885	4.4
201.12790	12.3
203.14323	25.7
207.13858	9.4
209.13260	5.6
209.15367	5.1
211.14954	4.6
213.12801	7.0
215.14357	10.1
219.13773	4.4
221.13417	3.0
221.15367	83.4
223.14848	4.8
225.12822	3.6
225.16483	6.2
227.14459	4.7
233.15384	6.4
234.16187	13.7
243.13075	3.5
286.19250	5.1
287.20093	12.1
299.19962	5.1
303.19519	7.2
309.18195	4.3
341.11566	3.6
365.24762	16.1
383.25821	88.5
384.26343	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	383.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73317	1.5
57.03436	4.4
61.02910	4.4
69.03439	10.5
69.78043	9.2
73.02919	2.1
75.67484	1.5
81.03417	7.1
82.02948	2.4
84.04490	1.6
84.08134	2.1
85.02908	31.3
97.02923	7.8
98.97579	3.0
99.04467	2.1
103.03898	1.7
109.02899	2.8
110.07176	2.6
113.49306	1.5
115.05475	1.5
118.06535	5.8
127.03948	5.2
129.07079	1.4
130.06534	68.0
132.04462	18.2
132.08063	5.9
136.07558	2.3
138.05496	1.8
142.06512	1.9
143.07254	2.4
144.06950	1.6
144.08090	26.4
145.05034	1.8
145.07625	21.8
146.06015	12.9
148.07559	4.5
154.06551	4.7
156.08104	4.6
157.07629	64.9
158.06026	48.9
158.08009	2.0
159.06317	1.7
159.09183	6.8
160.07568	3.1
169.07622	7.5
170.06007	3.3
170.08344	3.0
171.09204	9.0
172.07607	15.5
174.05524	9.7
175.08678	65.1
176.07088	3.8
180.08075	2.0
181.07593	4.6
182.08391	4.1
183.09184	16.6
184.06131	2.1
184.07637	2.5
185.07109	10.6
186.05475	4.5
186.07823	3.4
187.08681	3.7
190.08775	2.2
196.07603	3.4
197.07069	2.1
199.08673	14.6
200.07057	18.7
200.46989	1.7
203.08170	100.0
204.06615	2.9
204.08493	1.6
207.09047	2.1
209.07086	7.5
215.08136	2.5
216.08923	3.5
217.09718	28.2
221.09203	50.4
227.08133	10.7
228.06554	3.7
231.07608	7.4
233.09161	2.2
242.11803	1.8
243.07704	2.1
245.09241	24.6
257.09277	3.1
263.10281	39.8
269.09283	1.8
275.10336	2.6
299.10214	8.3
302.09659	1.7
311.10196	2.8
329.11395	3.6
347.12485	7.8
348.10648	9.8
365.13477	28.2
383.14459	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	383.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17894	0.5
55.05508	0.7
57.03431	1.2
58.99594	15.7
61.01157	40.7
63.94453	0.7
63.99864	0.5
67.05499	1.1
69.03439	7.3
69.07067	0.9
70.06592	1.0
70.83002	0.6
70.83313	0.7
70.99258	0.6
70.99592	7.0
70.99975	0.8
72.00373	2.8
73.01139	2.0
78.96769	0.7
79.05500	1.0
80.06266	0.6
81.07047	0.9
83.04980	0.7
84.08157	1.5
85.01131	0.9
85.02908	6.0
85.04215	0.5
86.09700	1.4
87.02699	1.0
89.00679	0.6
95.01336	10.6
95.04974	2.4
97.06526	1.5
99.02678	1.3
102.96761	2.7
103.02190	0.8
104.98325	54.2
105.99116	5.3
106.99864	2.2
107.08611	0.5
110.93938	1.2
111.02647	1.5
112.03459	4.0
113.02401	0.8
113.04266	0.6
113.06014	0.8
116.98321	1.6
117.99094	2.0
118.99950	0.6
123.04449	1.1
125.06007	8.8
127.03874	0.8
128.95047	0.5
131.08540	0.4
134.99353	8.7
137.00877	1.0
141.05446	0.5
143.07126	0.8
145.01413	0.8
145.10104	0.6
153.05467	7.5
167.45422	0.5
168.98128	100.0
169.98250	0.7
183.06664	0.5
208.10950	0.5
209.01273	13.7
213.05452	1.4
215.05496	4.8
351.08759	1.2
359.47006	0.5
365.01624	0.6
383.02905	27.8
384.03235	1.0
384.91501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98676	0.2
56.96567	9.7
71.06743	0.6
71.95264	2.3
98.97587	89.8
116.98624	69.1
119.01993	0.2
129.21725	0.2
131.00200	0.5
134.99664	34.2
137.00099	0.2
140.00204	1.7
149.01242	0.3
153.00711	4.4
158.01299	1.5
162.72748	0.2
181.97441	0.4
192.98811	0.3
216.98785	1.0
217.98746	0.3
219.02013	0.6
219.31110	0.3
225.96234	0.3
234.99850	1.5
240.98628	5.8
258.99777	73.8
259.99936	2.4
261.03198	0.7
273.01349	0.9
274.97705	0.8
275.97995	0.5
277.00827	100.0
278.00961	3.4
279.01019	0.4
282.01328	1.8
282.99866	1.1
291.02347	1.6
292.98730	0.4
295.01965	1.0
298.97815	0.4
299.98187	0.3
299.98859	0.4
300.02405	3.0
301.01028	1.8
302.01276	0.4
303.00723	0.4
316.98938	0.7
317.99054	0.7
359.00549	0.3
360.00122	0.7
376.93271	0.3
383.00070	1.7
400.93323	0.4
401.01022	7.1
402.01251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05486	1.1
57.03424	3.1
58.99585	6.1
59.96739	0.9
61.01152	35.8
62.99061	3.5
63.99849	3.3
66.09821	0.7
68.69472	0.7
69.03435	12.3
69.96345	2.0
69.96742	1.9
70.86340	0.7
70.99586	5.3
72.00360	5.2
72.08154	1.7
73.01145	25.9
78.30078	0.9
78.96781	8.4
79.05491	2.3
85.02911	9.5
95.01331	18.0
95.04942	2.6
96.97818	92.6
97.06517	2.1
98.21404	1.2
104.98322	40.1
112.97099	0.8
113.02370	0.8
115.02239	0.9
118.99799	1.4
125.06009	12.3
129.39534	0.8
141.62863	0.8
151.03900	1.1
153.05470	12.4
163.49579	0.9
168.98116	100.0
171.54216	1.1
177.05673	1.0
197.04456	1.1
211.00723	1.4
215.05443	8.9
229.01848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17156	0.9
57.03434	3.7
57.03920	1.0
58.99590	8.0
61.01157	43.0
62.99084	6.9
63.99869	3.6
67.05482	1.2
68.11157	1.0
69.03440	13.3
70.99590	5.3
71.09624	2.7
72.00357	6.0
73.01151	31.3
76.02244	1.0
76.08673	1.0
78.96780	10.1
79.05491	1.3
79.66849	1.1
84.04512	3.8
85.02923	11.3
86.24471	1.1
87.95300	1.1
89.07791	1.0
95.01339	20.7
95.05016	2.4
96.97826	94.7
97.06524	2.3
99.02683	1.5
101.02252	1.2
104.97611	2.2
104.98322	37.1
111.02647	1.3
113.02373	1.2
116.05296	1.2
122.99470	1.4
125.06015	12.5
127.11784	1.1
130.04938	1.4
137.00865	1.1
139.02153	1.7
153.00027	1.3
153.05475	9.1
168.98131	100.0
179.04921	1.2
180.99559	2.4
215.05580	6.6
231.03264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	19.2
56.05028	2.3
69.22527	12.0
69.70387	1.4
73.01151	12.9
74.00670	99.4
84.04509	52.9
85.03537	2.1
85.04034	14.9
92.01703	7.7
103.65633	1.4
106.99900	2.8
112.03974	18.8
113.03496	5.8
122.43965	1.9
130.05013	100.0
131.04535	12.6
149.03683	1.5
150.04077	58.8
177.03297	60.1
203.90907	1.7
229.87259	1.5
236.04094	27.0
243.04321	2.9
253.06773	34.3
307.07773	9.0
314.61081	1.5
382.11044	2.3
384.39163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3155
Annotation	Phycomysterol A
Peak:m/z	Relative Intensity
55.01870	2.1
55.05513	12.6
56.05046	1.8
57.07081	13.9
58.99591	3.0
61.01137	3.0
65.03955	1.5
65.98626	1.0
67.05508	18.6
69.07070	30.6
69.64901	6.8
70.06593	7.5
71.08639	11.0
73.01139	2.7
74.00665	3.9
79.05506	14.8
81.07068	35.6
83.04933	1.6
83.08624	8.6
83.90868	1.2
84.04511	19.4
84.08142	3.1
85.02922	1.5
85.04839	3.8
85.10193	4.7
86.09720	4.0
91.05477	15.8
93.07045	18.5
93.08003	1.2
94.06635	1.2
95.04980	3.3
95.08615	25.9
95.09174	2.4
96.08149	4.7
97.06542	7.7
97.08457	2.0
97.10184	6.0
99.02704	3.7
99.08112	3.1
101.04240	2.9
102.96750	1.2
104.98335	5.2
105.06385	2.5
105.07038	31.6
107.08614	21.1
107.99404	1.3
109.06537	3.6
109.10165	16.0
110.07202	2.0
111.11715	3.9
113.04247	12.7
115.05462	3.4
116.05311	2.5
116.06184	1.2
116.07101	1.4
117.07010	12.2
118.02386	1.2
119.08592	20.8
120.08108	2.4
121.06509	3.7
121.10139	12.7
123.08047	2.1
123.11716	4.4
124.07606	1.5
125.07972	1.6
128.06224	4.4
129.03732	9.3
129.07016	14.3
130.05034	6.9
130.07787	3.6
131.05315	3.5
131.08583	21.7
133.06483	1.5
133.10143	19.5
135.08070	2.8
135.11703	7.4
137.09650	2.2
141.07008	4.1
142.07744	7.0
142.99814	1.6
143.08566	23.5
144.09294	1.6
145.01424	2.5
145.10136	34.6
147.08034	2.2
147.11690	15.4
149.09718	3.0
149.13326	2.5
153.06921	1.7
155.08569	20.9
156.09401	3.1
157.10144	43.8
159.08101	2.5
159.11719	20.9
161.09637	4.1
161.13307	5.6
165.07030	3.5
167.08614	5.1
169.10126	11.6
170.08159	10.6
170.10918	1.4
171.08549	6.2
171.11679	18.3
173.09648	6.2
173.13257	8.4
175.11214	2.8
175.15009	1.3
177.03424	1.8
179.08662	2.4
180.09352	1.8
181.10159	9.7
182.10999	2.4
183.11694	15.2
184.12465	1.6
185.09779	1.8
185.13277	11.2
186.13896	1.4
187.11232	1.9
187.14806	2.8
188.11911	5.8
189.12750	1.3
189.16412	1.9
193.10205	2.1
194.10878	1.9
195.11713	15.2
196.12509	5.0
197.13293	15.0
199.11179	1.9
199.14836	11.9
201.12796	3.3
201.16379	1.8
203.17996	2.5
207.11722	2.8
208.12506	1.8
209.13234	11.1
210.14073	2.4
211.14856	11.4
212.15532	2.7
213.12743	2.8
213.16287	6.7
215.14333	2.6
215.17978	1.6
217.19528	1.5
219.08058	4.2
219.21132	1.4
221.13254	2.7
222.13947	2.7
223.14845	9.4
225.16443	4.4
226.17268	1.6
227.14351	5.6
227.17982	7.9
235.14874	4.0
236.15518	1.3
237.16405	17.1
239.18056	3.0
241.19579	3.5
245.22714	3.4
249.16441	2.3
251.17970	16.1
252.18704	4.7
253.19554	30.3
255.17418	7.7
255.21097	1.9
259.24310	1.4
263.18091	2.8
264.18671	1.8
265.19516	2.6
267.20953	2.2
268.18155	2.2
269.19031	11.8
269.22107	1.8
278.20276	3.7
279.21024	1.5
281.22708	5.8
283.20676	1.8
283.24323	1.7
293.22504	1.4
297.25745	1.5
307.24188	2.2
311.27338	2.2
321.25827	1.6
322.26492	3.1
323.27374	1.6
324.03851	1.7
337.28830	3.1
353.28287	2.3
353.32004	7.1
363.30481	30.2
381.31561	100.0
382.32159	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3153
Annotation	Phycomysterol A
Peak:m/z	Relative Intensity
55.05516	9.5
57.06869	0.8
57.07083	9.9
65.03942	0.9
67.05511	13.6
69.03428	0.8
69.06721	1.2
69.07074	19.9
69.64766	5.9
70.06631	0.8
71.08636	9.1
72.59895	0.8
74.00683	1.6
79.05499	11.3
81.07063	24.3
81.36401	0.7
83.08623	8.5
84.04507	4.9
84.08176	1.2
85.04810	1.0
85.10181	2.8
91.05487	13.2
93.07059	17.9
93.11829	0.8
95.05002	0.9
95.08612	21.9
96.08144	1.4
97.06512	1.3
97.10156	4.6
98.21533	0.9
99.08092	2.0
105.07037	23.9
107.08604	14.2
109.06544	1.1
109.10162	11.2
110.07209	1.2
111.11731	2.9
113.04278	1.7
115.05458	2.0
117.07021	7.6
119.08600	15.7
121.06528	3.5
121.10162	10.4
123.08089	1.2
123.11700	4.2
128.06224	3.4
129.07019	10.0
130.07787	2.9
131.05385	0.9
131.08572	17.9
133.10138	15.1
135.08086	2.6
135.11720	4.5
137.09598	0.9
137.13304	2.0
141.07021	3.7
142.07809	4.9
143.08568	22.7
144.09381	2.1
145.10136	28.9
147.08058	1.0
147.11710	13.1
149.09641	2.4
149.13242	2.6
153.07053	2.1
153.12769	1.2
155.08565	14.4
156.09375	2.0
157.10144	30.0
159.11713	14.9
161.09694	4.2
161.13303	4.8
163.14905	1.1
165.07001	2.5
166.07764	1.5
167.08632	5.8
168.09328	2.1
169.10158	9.4
170.08141	2.6
170.10966	1.4
171.08417	2.1
171.11699	12.8
173.09677	2.8
173.13293	8.3
175.11215	4.0
175.14827	1.5
177.16432	1.4
179.08653	2.3
180.09352	2.2
181.10135	10.8
182.10889	1.7
183.11696	12.8
184.12329	1.2
185.09686	1.4
185.13269	10.4
187.11218	2.3
187.14803	2.2
191.17978	1.0
193.10133	1.9
194.10881	1.7
195.11716	11.0
196.12399	3.7
197.13260	11.8
198.14026	1.6
199.14807	7.2
201.12788	2.2
201.16470	1.2
203.17972	1.6
207.11702	2.3
208.12485	1.8
209.13286	12.7
210.14091	2.9
211.12910	1.2
211.14856	8.6
212.15517	1.7
213.12814	2.4
213.16333	4.1
215.14400	1.3
221.13269	2.5
222.14053	3.1
223.14848	6.4
224.15500	1.0
225.16362	5.5
227.14403	4.6
227.17853	5.3
229.15932	0.9
235.14882	3.3
236.15535	1.6
237.16415	17.9
238.17159	1.1
239.14159	1.2
239.17976	1.9
241.15941	1.5
241.19595	2.8
243.21118	1.4
245.22693	2.8
249.16466	3.8
250.17165	2.1
251.17995	13.4
252.18687	1.9
253.19534	35.2
255.17502	8.0
255.21201	1.1
257.22586	1.1
263.17969	2.7
265.19604	2.5
268.18033	1.0
269.19009	11.6
271.24350	1.3
277.19238	1.0
278.20328	1.9
279.21048	1.3
281.19193	1.4
281.22693	2.6
283.20612	1.5
283.23920	1.0
295.24255	1.6
296.21255	1.9
297.25766	1.6
307.24265	2.1
309.25858	1.1
311.27481	1.7
321.25638	1.2
322.26462	1.9
323.27496	1.0
334.26535	0.9
339.26746	2.0
339.30423	1.2
353.28317	1.9
353.32101	5.5
363.30472	26.9
381.31546	100.0
382.31778	4.2
384.13977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04664	8.3
73.53217	4.4
76.62751	4.3
87.13219	4.1
95.57336	5.0
98.12524	4.4
381.07916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48626	4.9
60.24544	4.6
67.69719	4.5
70.59266	10.3
104.81602	4.6
113.30231	4.8
129.20467	5.3
180.35860	4.8
191.97304	5.6
210.67384	4.7
266.48703	5.0
381.07928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.6
58.99590	8.9
61.01147	18.3
69.07063	17.2
69.42857	4.6
70.79853	10.7
73.01157	28.5
76.89423	3.9
83.08620	15.8
83.23450	3.8
84.08173	5.9
85.01124	6.1
86.09716	4.3
87.02701	12.2
89.04247	15.3
93.07092	4.7
95.04159	3.9
95.04959	6.0
95.08643	4.4
99.02714	4.1
101.04243	6.2
104.98328	59.0
110.93958	5.7
111.02660	7.2
112.03472	6.5
113.04247	43.0
114.05036	5.2
115.05797	5.9
116.98311	12.5
118.99861	23.1
121.01337	3.7
129.03685	6.0
145.01425	15.1
147.02977	87.4
171.21246	4.7
176.98727	5.0
179.00195	100.0
184.95815	5.1
267.00461	3.9
381.24429	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	381.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.8
58.99575	5.5
60.26550	1.7
61.01154	17.0
67.05506	4.0
69.07074	10.2
69.95145	8.1
70.06593	3.9
73.01139	23.1
76.05527	1.8
78.96762	3.3
79.05484	5.6
81.07052	5.7
82.07817	2.4
83.04977	2.0
83.08624	19.5
84.04481	2.8
84.08108	2.4
85.01122	4.5
87.02701	12.0
89.04257	18.6
95.08593	2.4
97.06525	4.6
99.02682	4.8
101.04256	7.6
104.98322	54.8
105.07000	3.4
110.93923	4.7
112.03447	4.6
113.03509	3.7
113.04241	41.4
113.05044	2.3
114.04996	7.4
115.05796	8.6
116.98296	12.1
118.99863	25.4
121.01434	3.5
129.03691	2.6
135.11591	2.0
137.00868	4.1
145.01443	9.1
146.02234	2.5
147.02968	94.4
151.02016	2.0
160.09668	2.0
169.10216	2.4
179.00186	100.0
180.00278	2.0
184.95851	4.0
248.48990	2.0
253.02011	2.1
364.85550	2.6
381.26245	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.5
55.05499	4.5
56.05017	1.8
56.69337	1.7
57.07047	2.8
58.06590	6.2
58.99588	18.6
59.96735	2.0
61.01144	8.7
63.26651	1.4
65.03931	1.9
67.05510	10.4
68.05040	2.4
69.03425	2.1
69.07072	21.4
69.94162	6.9
69.94574	2.8
70.06583	9.4
72.08143	1.7
73.01145	100.0
74.00663	18.6
76.02224	7.3
79.05496	10.3
81.07062	7.4
83.04954	1.9
83.06099	4.3
83.08619	2.8
84.04507	37.1
84.08147	9.0
85.01116	2.2
85.02872	1.6
85.04841	7.1
86.09688	3.7
86.99039	1.6
87.02660	3.3
89.00610	4.8
90.01373	1.6
91.05473	2.9
93.07056	3.8
95.04977	3.3
95.08595	4.3
96.05727	4.2
96.08128	10.1
97.01118	1.7
97.06539	43.6
97.08484	2.5
99.02678	17.9
101.04234	18.0
103.97553	3.5
104.98321	37.3
105.07046	4.8
106.97889	1.7
106.99884	3.1
107.08623	3.0
107.99409	3.7
109.02838	1.5
109.10126	1.9
111.02663	6.0
112.03391	7.9
112.04105	1.7
113.03522	2.6
113.04238	42.0
114.03777	1.4
114.05032	2.4
115.02172	2.7
116.05311	34.0
116.98272	3.5
119.08598	3.4
120.08073	2.6
121.10147	2.7
124.07597	8.6
125.07955	3.0
127.02098	3.4
127.96988	8.2
127.97871	1.6
129.02821	2.2
129.03706	23.2
129.06613	3.6
129.10149	2.3
130.04379	5.9
130.05016	10.0
130.99818	2.4
131.05322	11.6
131.08546	2.5
133.01407	8.1
133.10132	4.1
136.06169	1.6
136.95473	10.4
141.07010	1.6
142.03217	3.7
142.08669	2.1
143.08592	4.3
145.01407	16.9
145.10081	3.5
147.02954	3.5
147.11688	2.0
148.02521	3.9
149.04547	22.8
153.06621	3.5
153.08952	1.4
155.08214	4.8
157.10074	2.9
159.11678	3.2
161.00908	3.7
163.02481	2.5
168.92732	5.3
169.10114	1.5
170.08139	26.7
171.08452	13.7
171.11452	1.8
176.98721	2.6
177.03329	3.7
179.00238	3.6
185.13335	2.2
187.05389	2.2
189.02103	1.6
194.99689	3.8
199.07150	3.7
200.07959	2.4
209.13165	2.1
211.02080	2.4
214.12685	2.1
216.00697	1.5
223.14798	1.8
226.96745	2.2
233.05911	11.1
237.16478	1.9
242.96489	3.5
251.05312	2.6
251.18036	1.8
252.05486	4.9
253.19473	3.2
273.09000	10.2
285.01071	3.9
306.06808	1.8
363.30319	2.9
381.09650	6.4
381.31409	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
55.05507	2.7
56.05037	6.9
58.06590	3.3
58.99583	10.2
61.01147	2.5
68.05020	2.9
70.06583	6.8
72.08145	8.6
73.01140	9.4
73.06559	12.7
74.00653	12.2
76.01819	3.2
76.02226	33.6
76.04001	3.3
80.04977	2.1
84.04507	100.0
84.08131	8.1
85.59298	2.1
86.09704	2.9
86.99033	2.4
88.02222	3.5
88.93996	1.9
94.71110	1.9
96.08130	21.0
98.01915	1.9
98.20711	4.3
99.02672	13.1
101.89283	2.0
104.98326	5.9
107.99379	5.5
112.03970	9.9
112.07600	2.3
114.03746	9.4
116.01684	21.3
116.04075	2.2
116.05337	21.5
116.07083	7.3
120.08092	5.7
124.07603	20.2
126.09158	3.4
130.05003	24.6
130.99861	4.5
131.04535	2.3
136.07552	2.2
142.03180	8.9
142.08669	10.6
144.01154	8.0
144.04813	3.5
148.02531	15.1
153.06618	1.9
162.02209	16.3
170.08136	79.4
170.09596	4.6
171.08568	2.2
174.00531	2.3
176.01949	4.9
176.51778	2.2
177.03282	7.3
179.04881	28.1
202.05322	22.9
211.02153	4.2
217.06425	22.4
219.08012	23.6
229.06242	4.1
233.05826	4.0
245.05829	5.0
245.09462	4.1
251.05205	7.9
273.09000	5.5
291.06454	3.8
305.06143	6.7
308.09128	9.0
348.12241	22.4
380.09665	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	380.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85681	0.3
54.25260	0.3
55.01871	7.4
55.05511	0.7
56.05039	7.6
58.06600	4.1
58.99592	1.1
60.04515	0.3
61.01156	5.2
65.64185	0.3
67.05514	1.0
68.05036	4.3
69.03434	1.4
69.07069	1.8
70.06585	2.6
70.99577	0.5
72.08154	2.1
72.15714	0.3
74.00671	27.2
76.04019	1.5
79.05499	0.9
81.07040	0.7
82.06583	1.0
82.39610	0.3
83.07369	1.1
84.04509	100.0
84.08146	8.9
85.02924	1.7
85.04031	4.0
85.04842	1.0
86.06077	1.1
86.09738	1.4
86.48865	0.3
90.96791	0.6
92.01712	2.1
94.06566	0.8
96.04488	0.3
96.08137	36.6
97.08444	0.3
98.06033	0.3
98.09686	0.7
98.21534	0.5
102.05549	0.8
104.98321	16.0
107.99412	12.9
110.06052	3.8
110.07205	0.4
112.03970	6.7
112.07613	1.8
113.02378	0.4
113.03479	1.6
114.03754	1.4
114.05532	0.9
116.01698	0.4
116.07100	3.0
120.08094	2.5
124.07600	23.4
124.67030	0.3
125.07900	0.3
126.09160	3.6
129.06633	0.9
129.10292	0.7
130.05009	47.5
130.99867	2.8
131.04517	4.2
131.05383	0.4
142.04982	0.5
142.08641	15.4
144.01103	0.3
147.07622	0.7
148.02498	19.4
152.07083	0.3
153.06613	0.5
155.08165	0.4
156.06557	4.8
160.00635	0.8
162.02229	0.6
167.11789	0.8
169.13448	0.3
170.08131	87.3
171.08472	1.1
174.00439	5.8
176.02007	0.9
177.03302	18.0
181.06088	0.7
185.03835	0.7
188.02000	5.0
195.11255	0.5
201.99948	3.0
204.01497	0.5
207.90021	0.3
211.02066	13.9
213.12355	11.7
213.14449	0.4
216.97653	0.3
217.06404	0.8
219.15038	0.7
231.04338	0.7
234.02548	3.1
234.99120	0.4
235.99365	0.4
243.04431	0.9
248.00368	0.8
251.05214	19.2
257.07730	0.4
259.05655	1.0
277.03140	0.7
277.06708	1.1
279.04639	0.6
287.05121	1.0
289.04761	0.3
305.06247	9.9
314.00174	0.3
323.03662	5.2
323.07358	0.5
362.08286	0.8
380.04080	0.6
380.09433	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	12.2
56.05031	3.7
58.06601	9.7
58.99570	2.4
61.01153	21.0
67.05512	1.6
68.05036	2.5
70.06589	3.4
70.68378	2.3
70.99566	2.8
74.00668	95.7
76.03992	3.0
82.06566	2.4
83.07358	3.0
84.04510	67.7
84.07696	1.8
84.08148	24.0
85.04033	15.2
92.01685	6.6
96.08092	1.6
104.98320	57.8
107.99393	2.3
110.06078	2.1
112.03973	15.7
113.03507	5.8
114.03751	2.9
116.07108	11.1
124.07581	2.2
129.06570	1.8
130.05009	100.0
130.99843	10.7
131.04518	14.2
131.05388	1.7
142.08624	1.4
148.02502	67.5
155.08156	1.7
159.06451	1.5
160.00604	3.3
165.93121	1.1
170.08101	6.1
176.01987	2.0
177.03299	64.2
181.06100	1.2
188.02032	21.5
213.12227	1.3
217.06628	1.8
234.02557	9.6
243.04468	2.8
251.05209	75.8
287.05179	2.3
289.05014	2.3
305.06229	14.2
317.06503	2.0
363.06918	2.2
380.09375	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50188	1.2
52.03674	1.1
55.01877	8.3
55.05514	2.3
56.05045	7.9
58.06594	3.0
58.99586	1.5
60.04508	1.4
61.01157	8.1
67.05505	2.7
68.05045	1.9
69.07063	2.0
70.01971	3.5
70.02373	1.8
70.06590	6.1
70.99600	1.3
72.08154	11.2
73.01148	51.1
74.00671	82.9
74.49829	1.2
76.03994	3.1
83.06082	1.6
84.04511	100.0
84.08155	10.5
85.04037	20.2
86.09714	6.8
91.05465	1.5
92.01709	7.1
96.08145	15.9
98.20802	1.5
99.05587	1.7
102.05587	2.0
104.05306	1.5
104.97616	2.5
104.98324	50.0
105.97839	17.7
107.99407	7.3
110.06023	2.8
110.07172	4.5
112.03977	21.0
113.03484	7.2
113.04186	1.3
113.74167	1.2
114.03748	1.6
120.08106	2.3
124.07625	11.3
126.09200	2.5
129.06580	1.6
129.10262	3.3
130.04033	2.8
130.05017	57.3
130.99879	4.3
131.04536	29.0
136.06210	1.6
136.07600	10.3
140.01640	1.4
142.08678	7.1
143.04597	2.5
145.06087	2.8
148.02509	66.7
153.06606	2.5
156.06564	2.7
158.10033	2.8
160.00653	3.9
162.05865	1.3
166.65926	1.2
166.96649	1.6
167.92984	1.3
170.08138	43.2
177.03305	64.4
181.06111	3.0
188.01996	4.1
198.27386	1.1
199.07166	3.3
203.12178	4.6
209.00444	11.9
210.01241	2.2
211.02034	6.6
213.12418	5.0
217.06410	1.5
234.02574	16.0
235.14389	5.6
243.04305	3.2
251.02585	2.8
251.05199	44.5
262.54730	1.4
285.40186	1.6
287.05164	2.1
289.05145	1.5
305.06256	13.2
317.06430	1.7
323.03732	2.0
327.77286	1.1
339.05597	2.4
348.11087	1.4
380.09360	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	379.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91230	3.0
54.05924	2.9
54.71436	3.4
55.05506	4.4
55.85719	2.9
58.99592	5.2
65.03944	8.8
67.05503	9.3
69.07076	12.4
69.78166	15.9
70.18777	2.8
71.16418	2.7
78.66389	3.3
79.05494	15.7
81.07050	7.0
85.01157	4.9
95.04974	35.8
95.08582	3.5
96.05839	2.9
97.01112	3.2
97.06526	5.8
98.01933	4.5
98.21479	5.6
99.02688	4.1
101.04245	4.8
102.14112	2.7
103.18378	2.8
105.07049	5.0
107.08606	4.3
109.06528	7.3
109.10100	3.3
111.02711	4.9
112.03471	9.3
113.04239	100.0
121.10173	3.9
127.02150	27.0
128.02917	7.4
129.03708	11.0
133.10085	3.7
142.99849	4.1
143.65361	3.1
158.99364	29.0
161.00789	4.5
163.02499	3.9
200.25783	3.1
289.03769	3.5
361.30859	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	380.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.2
55.05518	1.5
56.05038	6.8
57.98814	0.5
58.06605	3.7
58.99289	0.8
58.99588	13.0
60.04534	0.5
61.01154	3.7
62.00671	2.3
67.05502	1.1
68.05035	3.2
68.46906	0.4
69.03426	0.8
69.07069	1.6
69.54842	2.3
70.02952	0.8
70.06596	6.0
70.93433	0.4
72.08163	11.5
73.01147	19.4
74.00672	17.6
74.01097	0.7
74.06081	0.6
76.02233	15.6
76.04003	3.9
79.05526	0.6
80.05016	0.7
81.05818	0.5
81.07073	0.5
82.06580	0.8
83.06107	1.9
84.04510	100.0
84.08147	10.5
85.02912	1.6
85.04037	2.5
85.04830	0.9
85.87428	0.4
86.00666	0.5
86.06068	1.0
86.09698	4.5
86.99063	5.5
87.02219	0.5
87.02711	5.3
87.05572	0.6
88.02222	2.0
88.04033	0.9
92.01684	1.1
96.04502	0.9
96.08141	21.8
97.01147	0.6
98.01897	1.8
98.21457	0.9
99.01384	0.5
99.05569	1.0
100.02155	0.5
102.05548	1.9
104.98322	9.7
107.06086	2.2
107.99412	7.3
110.06046	2.6
110.07169	2.4
112.03963	4.4
112.07605	1.4
113.03510	0.8
114.03764	40.3
116.01689	35.8
116.07101	2.6
120.08118	4.8
124.07604	15.2
126.09178	2.2
129.06596	1.8
129.10263	2.9
130.05013	39.6
130.99863	17.1
131.04501	2.3
135.05528	0.9
136.03937	0.7
136.07635	0.8
137.09766	0.5
141.40779	0.6
142.03233	5.7
142.08643	8.6
144.01154	12.8
145.06117	0.9
147.07642	0.9
148.02504	46.9
153.06593	7.6
154.04999	1.0
155.11809	0.5
156.06580	2.3
156.07710	0.7
158.99379	1.0
160.00685	0.5
160.04300	0.7
162.02219	15.0
167.11818	0.5
170.02736	2.5
170.08136	50.4
171.05908	4.1
171.08430	0.5
171.14934	1.9
174.00430	2.7
176.02005	31.3
177.00423	2.0
177.03316	11.2
179.04854	1.0
181.06113	2.3
188.02003	3.1
199.05396	0.7
199.07123	6.9
199.14403	1.0
201.99954	1.8
202.05359	0.5
211.02072	7.6
213.12335	6.2
217.06435	97.5
218.06757	1.6
219.14929	1.3
221.09967	0.6
234.02545	3.3
235.99211	0.5
243.04364	0.9
245.05931	3.2
251.05208	14.4
257.07709	1.3
259.05826	0.7
271.07437	0.9
277.06921	1.1
287.05197	0.8
305.03116	0.8
305.06265	9.2
306.06989	0.7
323.03662	2.3
362.08371	0.7
363.06790	0.6
380.03955	0.9
380.09448	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	379.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68866	2.7
58.99590	17.5
61.01149	10.4
67.05505	4.7
68.21944	2.7
69.07085	22.8
69.41181	14.2
69.41579	5.9
70.06571	2.5
73.01161	19.1
78.96779	4.5
79.05490	6.6
80.65321	2.8
81.07097	4.8
84.08154	4.5
85.01111	3.1
95.04955	5.1
96.05797	3.3
97.06532	20.1
99.02692	6.3
101.04269	18.7
104.98328	15.3
105.07026	4.2
107.08598	3.7
110.93993	19.0
111.02666	22.6
112.03451	14.5
113.04242	100.0
114.60442	2.7
121.06482	6.1
129.03703	30.4
130.04498	12.7
131.05301	5.0
142.99832	8.6
144.00652	7.2
145.01419	12.8
158.92313	4.2
161.00917	3.3
176.98734	3.2
194.99747	6.1
209.01257	5.4
240.98412	20.6
315.00354	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	379.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51283	2.0
56.05033	3.9
56.96291	3.0
56.96566	49.8
58.99586	2.8
58.99854	3.7
61.01134	3.4
61.14135	2.1
68.98293	5.1
70.06593	3.4
71.48019	3.3
72.08151	8.4
73.01133	3.0
77.00893	2.6
81.03387	2.1
84.04526	3.2
84.08143	6.0
84.96020	13.2
85.01108	3.9
86.09711	4.2
86.99324	7.4
87.02680	6.6
88.03942	1.8
88.93752	4.4
89.73492	1.8
97.01093	3.7
97.02867	2.9
98.97581	6.9
99.02742	2.2
100.00079	2.7
102.97046	5.1
103.02448	10.2
103.11204	1.9
104.05295	3.5
105.00388	10.8
110.97528	2.3
113.00885	5.7
115.02325	4.8
116.93165	2.9
116.98608	2.4
117.03968	2.6
118.01108	9.7
119.01927	5.5
120.98064	3.6
121.03473	6.8
123.01381	2.4
127.02421	2.5
128.98599	4.0
129.03998	5.2
129.10222	3.2
131.00175	9.5
131.01900	19.0
132.02728	2.3
133.03464	8.4
134.99599	3.3
136.97504	3.0
139.00670	2.5
139.02370	3.0
141.02211	3.2
141.03954	6.7
143.05470	4.2
144.02686	2.2
144.99794	2.5
145.01666	4.9
145.03462	29.8
146.97873	28.3
146.99612	5.5
147.01387	12.1
147.05003	6.3
149.01192	17.9
149.02942	3.7
149.98422	2.8
155.00089	4.0
157.01707	2.7
157.03461	5.8
159.03316	2.6
159.05054	8.7
161.01204	5.5
161.02859	2.0
161.06650	4.4
163.02785	3.4
163.04520	7.9
164.98970	35.3
165.00462	3.5
165.02469	8.6
167.02287	4.2
169.03409	2.5
170.00581	3.1
170.97971	4.7
171.05058	5.5
173.01190	32.8
175.01035	2.9
175.02774	8.9
177.00717	4.3
179.02312	3.7
182.99907	8.5
187.00916	4.4
187.02481	2.2
188.01700	8.3
188.98953	17.8
189.00507	3.8
189.05907	2.4
191.00616	4.0
191.02240	100.0
193.03792	5.0
198.99298	2.0
199.02838	2.8
201.00711	22.2
201.02377	4.1
202.01425	4.0
207.00031	20.2
209.03284	6.9
214.01649	2.6
216.98512	3.6
217.01900	13.0
217.03835	13.6
218.99782	3.6
219.01741	37.5
219.03522	1.9
227.00502	3.0
234.99467	24.6
235.03072	3.5
237.00694	3.3
237.02838	31.5
243.01793	5.8
253.00546	24.7
261.02853	19.0
263.02637	7.8
271.01315	4.5
273.00659	2.3
287.02490	7.7
289.02267	90.1
290.02420	3.3
291.02182	4.9
305.03619	5.6
307.03302	9.1
315.02029	4.3
333.03021	18.3
343.01389	2.9
360.98413	3.5
361.02634	43.9
373.40240	2.1
379.03699	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42649	0.8
52.58775	0.8
53.03949	0.9
58.20233	0.7
58.99590	8.1
59.73388	0.8
61.01149	5.7
67.05498	3.2
69.07069	16.3
69.35760	0.7
69.85216	4.6
70.06573	1.8
73.01141	13.4
78.96779	2.6
79.05499	5.6
79.98349	0.9
81.07061	1.2
84.08144	1.2
85.01132	1.4
86.09693	1.3
87.02677	1.2
89.00584	1.1
89.04232	1.0
95.04944	2.2
96.05738	2.4
97.01122	1.2
97.06536	13.0
99.02695	5.6
101.04247	15.9
102.96736	1.5
103.97527	2.5
104.98320	11.9
106.99859	1.2
110.93949	10.1
111.02676	17.0
111.99567	1.0
112.03444	13.8
113.04233	100.0
114.05001	2.0
115.02138	2.6
115.05713	0.8
115.55729	0.7
116.98280	5.2
117.99075	0.9
118.99854	1.2
121.01478	2.0
121.10165	1.2
121.53252	0.8
127.02150	1.3
129.03703	25.6
130.04509	8.4
130.99797	1.1
131.05295	5.6
133.01414	2.3
136.95473	3.1
142.99850	7.8
144.00603	8.1
145.01411	7.5
147.02995	1.8
150.35709	0.9
159.02959	1.8
160.03854	1.0
161.00871	5.5
163.02531	1.0
164.98628	1.3
174.97050	1.5
176.98618	3.6
184.52380	0.8
185.00644	1.5
185.04390	1.2
191.00214	1.2
194.99701	1.3
201.03790	1.0
209.01268	2.9
216.98058	1.0
224.95451	0.8
235.02773	1.5
240.98383	11.1
266.99982	1.1
315.00366	11.3
338.93860	0.9
378.32245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93679	1.0
53.03945	1.0
53.41323	0.9
58.99587	7.5
59.88565	0.9
61.01147	6.8
67.05510	2.7
67.47222	1.0
69.07074	15.1
70.61909	2.9
70.99564	1.2
73.01151	15.7
78.96790	2.1
79.05509	5.4
84.08127	1.2
85.01114	1.2
87.02697	1.1
89.00593	1.7
89.04271	1.7
95.04990	2.4
96.05758	1.7
97.06540	7.9
99.02688	4.6
101.04256	12.3
101.93810	1.1
103.97541	3.6
104.98331	10.0
110.93948	9.5
111.02675	15.3
112.03458	12.3
113.04239	100.0
115.02159	3.1
116.98318	6.0
127.02211	1.0
129.03717	21.9
130.04510	7.2
131.05286	6.2
133.01430	1.4
135.94720	0.9
136.95494	3.4
137.00893	1.2
138.99667	1.0
142.99857	7.8
144.00644	6.9
145.01413	6.4
159.03017	0.9
161.00905	4.9
174.97096	1.3
176.98631	4.3
177.04028	1.5
185.00656	1.1
191.00137	1.1
193.01698	1.3
194.99701	2.5
235.02695	1.1
240.98480	11.2
315.00333	11.0
378.32004	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.239
Annotation	Ile Val Phe
Peak:m/z	Relative Intensity
53.03955	0.5
55.05515	3.3
56.05027	1.3
57.05814	0.8
57.07136	0.4
57.91127	0.4
58.06600	0.5
60.04530	0.6
67.05507	1.3
69.03412	0.9
69.07070	8.0
70.06247	0.6
70.06600	8.5
71.06912	0.8
72.08158	44.4
72.52311	0.5
72.93778	0.5
73.08482	0.5
74.06079	0.9
79.05483	0.8
81.03406	0.5
81.07066	0.5
84.04517	2.2
84.08151	5.2
85.02908	0.6
85.63294	0.5
86.09708	100.0
87.10030	1.0
88.03983	0.6
91.05502	0.9
93.07037	0.9
95.08642	0.5
97.02910	0.8
97.06525	0.4
102.05563	0.7
103.05484	1.2
105.07054	0.7
110.07181	2.3
114.03760	0.6
116.07117	1.1
120.07246	0.8
120.08112	14.8
129.10263	1.9
130.06567	0.5
135.08040	0.7
136.07593	0.8
143.08626	0.5
144.08081	0.8
145.04900	0.5
145.10106	0.6
146.10535	0.6
166.08659	6.0
183.11679	0.6
185.16507	42.6
186.16818	0.5
213.15987	18.5
229.64420	0.6
233.16551	1.9
261.16000	0.6
265.15488	4.5
305.25699	0.5
379.30029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67949	0.6
53.03932	1.2
55.01865	0.7
57.50780	0.6
59.59349	0.7
61.02923	1.0
69.03427	2.3
69.68272	3.1
69.68683	1.5
70.06582	3.0
72.08130	0.7
73.02937	0.7
76.41443	0.6
81.03417	1.5
84.08125	0.8
85.02908	9.3
86.09729	2.9
91.05491	8.5
93.03381	0.6
93.07047	12.3
95.04961	2.1
97.02898	2.9
98.20836	1.1
103.05478	6.5
105.04488	0.8
107.04937	1.0
109.06542	0.6
119.04926	1.8
120.05720	2.0
121.06516	16.4
125.05994	0.9
127.03925	1.4
129.58855	0.6
137.05977	1.5
138.06760	1.7
145.04973	1.3
147.04456	1.1
148.05179	2.0
149.05992	4.0
151.03908	1.3
153.05481	1.9
166.06258	9.6
167.07004	0.8
175.00931	0.6
181.08600	100.0
182.08986	1.5
184.07310	0.9
195.10103	1.0
199.09659	61.5
200.10010	0.8
209.08113	0.8
211.09639	1.1
223.09709	0.9
307.11691	0.9
328.63055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.7
55.24091	0.8
56.05033	2.6
56.34681	0.9
57.05811	1.8
57.30261	0.9
67.05492	1.4
69.03424	2.2
69.07063	1.5
70.06599	12.1
71.04961	1.0
71.54600	1.1
72.08162	93.6
79.05496	1.0
80.38924	1.1
81.03378	0.9
81.07042	2.2
82.06582	1.0
84.04485	3.4
84.08157	8.0
85.02907	2.3
86.09713	100.0
87.10059	1.1
88.02221	1.0
91.05451	1.6
93.07048	1.7
95.08601	1.1
97.02885	1.0
103.05461	2.7
104.98325	1.1
109.02921	1.2
110.07178	2.0
116.07114	1.4
119.08539	0.9
120.08116	76.1
121.07451	1.0
121.10142	1.2
129.10239	4.0
132.10231	1.4
135.07985	1.0
145.10143	1.4
149.85580	1.0
151.07603	1.1
159.09242	0.9
166.08661	6.9
185.16512	50.3
213.15991	21.3
216.19571	1.9
219.13075	1.3
219.14977	17.4
233.16534	4.7
234.98962	2.9
243.08603	1.7
247.14537	4.9
261.16235	1.9
265.15524	1.0
273.14774	1.1
277.00092	1.1
279.17081	10.2
286.13339	1.0
378.14655	1.8
384.86377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03953	1.7
53.04152	0.5
53.46551	0.4
55.01855	0.8
55.05499	0.7
56.05020	1.4
57.03439	8.3
60.04519	0.5
61.01148	0.7
61.02932	4.1
69.03433	13.2
69.07043	0.7
70.06590	3.7
71.01356	3.1
71.04996	3.7
71.55216	0.4
72.08134	1.4
73.02918	2.2
74.06063	0.5
75.04496	2.3
81.03420	4.6
83.60936	0.4
84.04482	0.6
84.08136	2.6
85.02891	0.7
86.09718	3.2
87.04458	0.7
91.05470	0.6
95.08600	0.5
98.85400	0.4
99.04465	5.1
103.05457	0.4
104.05315	1.9
105.07018	0.5
107.04888	0.4
110.07180	0.7
117.05486	1.1
120.08085	1.3
127.03978	0.4
127.08612	0.4
129.10262	1.2
130.06566	0.6
137.05957	0.7
138.09167	0.4
139.09473	0.4
145.06578	0.5
145.07597	2.7
157.06323	0.6
159.09203	1.0
170.07156	1.4
170.09262	0.4
172.08707	31.9
175.07515	1.0
175.08774	0.5
180.48238	0.4
186.10294	0.7
190.09743	0.9
198.06631	7.5
198.08302	0.7
200.08173	5.2
201.12343	1.0
214.09688	0.5
214.14388	1.1
215.12871	0.8
215.14746	2.7
216.07701	17.7
218.09447	1.2
225.07559	0.5
234.12296	0.5
243.08788	75.6
244.06998	0.8
244.09178	1.4
246.09096	0.5
246.14418	0.5
257.12839	1.2
316.13037	0.7
341.12210	0.6
349.79752	0.4
359.13477	3.5
377.14563	100.0
378.14902	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54866	0.9
56.96569	8.0
58.99866	2.1
62.39334	1.1
65.42368	0.9
66.24467	0.9
70.06590	2.4
72.08150	2.6
73.01157	2.4
77.00890	1.0
82.01450	10.6
82.06589	1.1
83.17359	1.4
84.03008	35.8
84.04504	1.3
84.08142	3.0
84.18194	1.1
84.96017	2.5
85.02912	1.1
86.09706	2.1
88.03991	1.2
95.55700	1.1
97.02888	1.0
98.97578	4.1
100.02486	20.3
101.00912	1.0
102.04051	100.0
104.05293	1.3
110.97613	1.0
112.99094	1.8
115.02433	2.0
116.05586	1.4
117.03985	1.5
118.03512	6.7
119.01914	1.4
120.04239	2.0
120.05086	32.2
125.05643	6.8
125.52395	1.1
127.07190	29.3
128.98605	1.9
129.10214	1.7
130.03474	1.9
131.00130	5.9
131.01886	1.5
133.03438	2.4
134.99504	1.0
140.05600	2.0
143.06673	8.0
145.08240	14.2
146.02953	1.7
146.97853	2.5
146.99631	2.7
148.03815	2.0
149.01180	16.6
153.05115	4.6
158.06642	2.1
161.03000	1.5
164.98956	1.6
165.00737	2.2
167.02142	2.0
169.04597	1.5
170.06610	1.9
171.06174	39.1
172.02702	1.3
174.04349	16.1
189.07213	3.7
192.05388	10.7
195.09651	1.6
197.04094	26.1
200.02313	1.7
203.05235	1.3
215.05145	74.7
216.05318	1.8
218.03342	9.5
219.01779	1.6
221.05170	1.9
233.06189	18.1
234.01152	1.4
236.04401	2.7
237.02754	1.8
238.06714	1.7
243.06514	11.8
246.61830	1.1
252.02132	2.5
259.06696	5.0
261.07861	1.3
279.09256	1.1
287.05484	97.0
288.05591	2.3
320.92026	1.2
335.08423	2.1
339.20004	1.4
377.06525	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	376.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15461	0.6
53.03943	0.7
55.01876	0.6
55.05513	0.9
58.99588	4.3
59.38900	0.6
59.96719	1.2
61.01147	1.0
65.00646	5.4
67.05500	2.6
69.07074	7.3
69.18991	0.6
69.78082	3.3
70.06580	1.3
70.99575	4.4
72.00362	3.1
72.08121	0.7
73.01147	14.9
75.02714	3.0
78.96777	1.7
79.05502	7.9
80.06304	0.6
84.08152	0.8
85.01134	2.5
86.09713	0.6
87.02711	3.1
91.05449	0.7
95.04972	2.4
96.05752	1.4
97.01120	1.3
97.06535	6.6
98.20740	0.7
99.02682	12.5
101.04251	7.0
104.66878	0.6
105.07056	0.9
107.08575	1.0
110.93959	22.3
111.02673	14.7
112.03468	6.3
113.04237	100.0
114.05066	6.3
115.02180	1.8
118.99882	2.7
122.67745	0.6
125.04250	1.0
129.03714	19.4
130.04500	5.2
130.99893	1.9
133.01498	0.6
137.00905	12.1
137.04236	1.2
139.05774	20.4
142.99825	3.2
144.00626	5.8
145.01433	6.5
146.02182	0.9
149.04185	1.8
150.04994	1.0
151.05768	2.4
152.06555	3.1
154.99817	0.7
160.00177	0.7
161.00925	2.5
162.01743	0.9
164.98656	1.6
168.00757	0.7
174.97110	3.7
176.98634	3.1
181.01511	0.5
182.94325	0.7
183.03001	12.7
183.04541	1.1
192.98138	0.7
222.97391	0.8
240.98494	1.1
247.02808	0.8
285.21643	0.6
376.98645	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	376.2119
Annotation	DHEA-7-CMO
Peak:m/z	Relative Intensity
51.26449	1.4
53.03925	1.7
54.42091	1.3
55.01878	1.8
58.94116	1.6
61.01141	5.2
67.05511	5.9
68.01396	1.7
68.05025	2.5
69.07070	13.5
69.55869	4.4
69.56297	6.6
70.06590	1.8
79.05491	7.4
80.05006	3.8
81.07064	10.2
82.06570	2.7
84.04493	2.1
85.02890	1.9
91.05490	8.0
91.76650	1.5
93.07070	7.1
94.02935	4.7
95.04931	1.6
95.08600	11.2
96.04487	2.0
98.20786	3.1
105.07041	38.8
106.06581	2.0
107.08573	9.3
108.52094	1.5
108.67030	1.5
109.10136	4.2
110.06041	4.7
113.04284	9.5
114.01889	8.9
116.06239	1.8
117.07023	5.0
119.08587	33.7
120.08141	1.8
121.10139	6.9
123.11706	3.6
124.03968	3.9
126.05538	3.8
128.03458	2.7
129.06940	1.5
130.07793	2.8
131.08575	11.7
133.10141	19.5
135.11676	2.2
136.07578	2.4
138.05472	1.9
140.03423	6.4
143.08488	2.5
144.09291	1.9
145.10133	38.0
147.11732	9.0
152.03403	1.9
154.04999	4.0
156.92717	2.9
157.10118	2.4
158.04530	2.5
158.10869	2.4
159.11699	22.8
160.12494	3.7
161.13199	2.8
162.05472	2.5
170.04420	2.1
171.11684	2.8
173.13286	8.0
174.09270	1.8
175.14827	39.5
178.05006	3.8
180.06520	2.6
186.14043	2.6
188.05554	8.0
192.06474	2.1
201.16396	53.4
214.15971	2.5
252.08664	5.1
254.10225	3.0
256.16754	2.0
258.18472	1.8
260.12756	1.9
284.16428	3.6
302.17462	12.0
334.16434	3.8
346.15988	1.4
358.19843	1.7
376.21213	100.0
377.21631	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	376.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32568	4.2
53.03937	5.7
55.01844	5.4
55.05511	17.3
55.90634	4.7
57.07077	6.6
67.05510	23.4
69.07085	22.5
69.42143	40.4
69.63828	4.9
71.04982	5.3
71.08633	9.3
79.05491	33.4
81.07066	58.3
83.08614	7.1
84.53453	6.0
86.09719	6.6
88.11275	33.5
91.05478	52.4
92.06274	6.4
92.38155	5.3
93.07059	82.4
95.04980	48.9
95.08632	35.5
97.06541	5.3
98.08356	4.7
105.07043	99.0
107.03210	4.5
107.08607	63.4
109.06526	17.9
109.10157	19.7
115.05416	8.0
117.07066	28.5
119.08604	100.0
121.06544	12.8
121.10159	55.5
123.11706	15.5
128.06227	16.1
129.07037	25.5
130.07782	10.0
131.08588	59.9
132.09358	8.7
133.10138	69.3
134.10762	4.6
135.11684	19.3
137.49971	4.8
141.06947	6.5
142.07780	19.5
143.08578	48.2
144.09377	22.6
145.10141	87.1
146.10828	6.1
147.08040	6.4
147.11673	19.1
149.09717	4.6
155.08583	17.0
156.09337	17.7
157.10138	55.2
158.10823	16.9
159.08081	10.7
159.11713	54.3
161.09596	14.6
161.13301	7.4
165.12811	24.1
167.08572	12.8
168.09317	7.3
169.10167	34.9
170.10922	10.2
171.11719	34.7
172.12387	7.1
173.09715	7.3
173.13297	29.4
174.10408	4.7
174.31995	4.4
175.14746	12.2
179.08614	9.0
181.10081	15.8
182.10806	4.8
183.11693	20.6
185.13242	19.5
187.14874	13.3
193.10146	5.0
195.11720	22.2
196.12299	8.1
197.13284	30.5
198.13805	7.9
199.14795	11.5
201.12752	5.8
201.16330	5.7
207.11711	9.9
209.13275	14.2
210.14023	6.8
211.14806	17.4
212.15645	6.9
213.16336	5.7
221.13216	9.5
223.14792	11.1
235.14813	10.2
237.16550	7.2
251.17947	7.9
253.19530	12.9
254.20190	7.7
265.19583	6.0
266.20242	8.1
267.21075	7.1
268.21805	6.2
278.24881	7.6
293.22495	9.0
296.21405	9.6
338.35046	6.7
340.72214	4.5
343.24377	5.9
361.25342	8.2
376.27423	58.6
376.32056	13.2
376.36844	11.4
396.10883	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	376.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00834	1.0
58.99579	2.2
69.03423	3.2
69.07085	1.9
70.06588	4.7
71.55944	1.8
72.08163	2.3
73.01128	4.9
74.01492	1.1
75.43148	1.1
79.05479	1.2
81.03453	1.6
81.07096	1.2
84.08138	3.7
85.01124	3.4
86.09679	3.7
91.05454	1.5
94.11607	1.1
95.01347	1.2
95.04963	1.4
95.08607	1.8
97.06468	1.5
99.02701	1.1
101.04286	1.4
103.97504	1.9
104.05029	1.6
104.98330	2.8
112.02075	0.9
113.04208	3.7
114.04564	2.2
118.06557	12.3
118.82210	1.1
119.07343	7.9
120.08103	1.3
128.86560	1.1
129.10202	2.6
129.24751	1.1
136.95459	3.4
140.05273	1.2
150.03714	5.1
151.04443	1.9
152.05280	1.5
162.05530	1.7
163.06244	6.5
168.04865	1.2
196.04289	100.0
197.04892	4.7
360.39447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99579	9.6
61.01149	5.0
62.99066	2.2
67.05503	4.2
67.10896	2.3
69.07069	21.3
69.21587	8.0
69.22007	16.3
70.06573	3.7
73.01132	9.1
74.23394	2.2
75.33228	2.3
78.96774	2.6
79.05493	6.0
81.07066	3.1
89.00620	2.2
95.04965	4.0
96.05761	4.6
97.01124	2.1
97.06543	27.8
99.02664	4.8
99.69997	2.6
101.04251	25.6
104.98309	6.0
110.93958	55.1
111.02686	17.3
112.03448	10.2
113.04236	100.0
115.02139	4.3
115.07573	2.8
116.35432	2.2
116.98233	2.5
129.03711	65.3
129.10281	2.5
130.04471	16.7
131.05292	12.6
136.95482	3.3
142.99817	6.8
144.00610	9.1
150.03714	3.4
152.94971	3.3
161.00906	10.0
168.01176	2.2
168.98099	3.3
174.97055	6.6
193.04898	2.8
196.04333	4.7
225.25629	2.2
240.98506	34.7
330.99756	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	375.238
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03943	7.6
55.01879	6.8
55.05512	21.9
57.03444	8.7
57.07072	3.0
58.87991	1.2
59.04999	3.0
61.02931	10.4
67.05504	10.3
67.66299	1.4
68.99811	1.3
69.03432	35.5
69.07071	45.9
70.06590	3.6
71.05000	11.3
71.08646	1.8
72.08156	2.6
73.02910	5.6
74.99359	1.2
79.05499	6.0
81.02982	1.7
81.03425	22.5
81.07056	28.0
83.01337	1.6
83.04973	9.0
83.08617	9.4
84.08137	1.4
85.02910	83.0
85.06550	24.2
86.09718	3.5
87.00796	2.2
87.04475	7.0
88.32273	1.4
91.03953	3.6
91.05486	4.6
93.07055	14.3
95.01272	1.5
95.04946	2.4
95.08613	45.6
97.02896	28.3
97.06531	5.6
97.09706	1.2
97.10196	11.3
98.21525	2.6
99.04461	10.5
99.07476	2.3
99.08093	27.6
103.03960	1.6
105.07026	3.4
107.08598	25.2
109.02884	16.6
109.06571	1.6
109.10165	18.2
111.08071	4.3
111.11752	8.5
113.09639	8.0
119.08578	1.5
120.08080	2.4
121.10157	33.0
123.11710	9.3
125.09623	6.0
125.13268	2.4
127.03077	2.4
127.03926	28.2
127.11167	2.3
129.10213	1.6
133.10098	1.7
135.11728	18.2
137.06004	1.7
137.13269	21.5
139.11177	9.4
145.04987	14.5
147.11618	1.5
149.13277	5.0
151.07558	2.0
151.14822	5.8
153.12737	11.4
175.14804	1.4
177.16396	100.0
193.15881	1.7
195.17462	40.3
210.23041	1.3
213.16420	2.3
213.18494	47.1
219.08101	2.3
237.03799	3.2
253.17686	1.4
361.73697	1.3
375.15027	1.6
375.23859	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	375.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20732	16.2
58.09110	15.8
68.48896	16.2
69.07075	30.8
71.46268	15.2
71.55766	27.7
73.01134	49.1
75.02761	16.4
75.70241	14.3
81.07065	25.7
84.08116	18.9
91.05473	21.9
97.06524	20.7
101.04287	23.4
101.69847	17.1
104.98322	70.9
112.03478	22.8
113.04269	100.0
115.03812	20.6
115.05823	36.4
139.05725	34.3
147.02959	67.7
151.07462	16.5
219.09807	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	375.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64348	0.7
53.03956	0.8
55.05523	6.4
56.05041	2.3
60.04531	14.2
61.01131	1.1
69.03435	1.1
69.07072	6.7
70.06603	6.9
71.55574	1.4
72.08163	80.9
74.06084	1.5
84.04508	1.7
84.08150	9.7
84.64775	0.6
85.02916	2.0
86.09714	100.0
87.05604	8.2
87.10065	1.7
96.08135	1.1
97.02919	1.0
99.04482	1.0
102.05550	1.8
104.05354	0.8
105.06639	0.8
109.02892	0.9
110.07166	1.5
110.09743	1.0
114.09184	3.7
116.07169	0.9
119.04916	1.1
120.08118	2.5
121.06629	0.6
127.03939	1.6
127.07594	0.8
128.10732	6.1
129.06599	0.8
129.10249	7.2
130.08629	0.9
131.72116	0.7
132.10226	2.8
136.07616	1.9
140.07108	1.7
143.11806	5.7
145.06053	0.9
148.06133	0.7
150.05556	1.3
152.07120	1.0
159.11308	22.7
161.09196	1.1
163.96472	0.6
171.11333	2.7
171.52129	0.7
173.12883	34.5
175.04034	1.0
175.10794	19.7
178.05852	1.4
187.10786	13.6
189.12378	21.5
191.17654	0.7
201.12370	16.6
205.11838	2.0
213.16151	1.0
219.01599	0.7
219.11385	0.8
226.11971	1.2
235.14551	1.1
255.16991	1.5
262.14307	1.0
267.11664	0.9
270.18295	1.0
276.15631	1.0
300.19312	2.2
357.20981	0.8
375.03284	0.8
375.12509	1.0
375.23206	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96856	2.3
53.03931	4.0
53.94234	2.9
55.01875	4.5
55.05503	5.3
56.95876	2.4
57.03433	5.9
58.99593	22.0
61.01138	12.4
65.00638	4.6
67.05523	13.4
68.99798	3.1
69.03431	17.3
69.07065	25.6
70.06589	6.3
70.15417	5.0
70.15832	8.5
70.99563	3.1
71.01350	7.1
71.04992	4.8
72.00362	3.0
72.08154	4.8
73.01147	100.0
74.09722	3.8
78.96756	5.7
79.05495	12.0
81.03434	21.0
81.07057	6.7
83.04995	4.8
84.04489	3.6
84.08134	6.4
85.01126	4.5
85.02907	15.4
86.09686	8.5
87.00777	3.1
87.02716	3.8
89.00622	4.7
89.02394	4.0
90.01415	6.5
91.05479	5.2
93.07034	5.3
95.04971	9.7
96.05760	4.3
96.92416	2.8
97.02876	7.4
97.06545	27.1
99.00771	3.2
99.02679	9.3
99.04455	12.2
100.11294	3.1
101.04243	27.7
102.96745	12.3
103.97543	34.0
104.98342	18.1
105.05161	2.8
105.07045	3.3
107.08591	3.0
109.02869	18.6
110.93966	37.1
111.02652	7.1
112.03445	11.4
113.04243	70.1
115.02168	10.3
115.05802	3.6
116.98315	4.6
119.08637	2.7
120.08151	3.9
120.97781	8.4
127.03930	26.3
129.03709	51.8
129.10231	4.0
130.04480	15.3
131.05266	5.9
136.95485	65.4
145.01385	12.3
145.10118	3.2
147.03006	2.6
147.04703	4.8
153.05453	3.8
160.92191	3.4
161.00923	6.4
164.98596	3.5
185.09702	4.1
194.99699	11.1
210.99210	11.6
213.03937	2.6
216.12338	4.3
243.38266	3.1
373.10995	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	375.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01871	7.5
55.05508	6.8
57.03435	5.4
57.07070	5.6
58.99585	30.6
61.01147	11.5
62.99080	3.2
65.00623	9.3
67.05502	14.8
68.99796	3.6
69.03442	23.4
69.07063	33.1
70.06592	12.3
70.99578	4.5
71.01340	11.3
72.08157	7.8
73.01148	95.6
78.96755	5.9
79.05499	14.0
79.44234	3.2
81.03421	23.5
81.07059	7.7
83.04957	5.5
84.08144	10.9
85.01123	6.7
85.02912	18.0
85.06515	4.5
86.09701	9.1
86.99062	5.8
87.02710	3.9
89.00642	7.9
89.02396	5.8
90.01397	6.3
91.05492	6.8
95.01354	4.5
95.04980	9.4
95.08624	3.6
96.05724	10.1
96.92385	4.5
97.02898	10.9
97.06539	47.5
99.02678	10.4
99.04465	9.4
100.11255	6.4
101.04256	40.2
102.96757	11.0
103.97541	35.9
104.98326	19.6
107.08593	5.0
109.02882	17.1
110.07167	3.9
110.93955	73.3
111.02660	14.6
111.04446	5.2
112.03437	10.6
113.04234	100.0
115.02157	14.9
116.98344	6.4
120.08109	4.9
120.97793	8.2
121.06512	3.1
127.03942	28.0
129.03705	77.5
129.10229	7.2
130.04485	30.9
130.99847	6.4
131.05243	9.6
133.01370	3.5
133.06422	3.0
136.94501	6.0
136.95497	73.4
143.83534	2.9
145.01430	10.3
151.03928	3.0
153.05522	4.0
156.13806	3.5
157.10085	4.1
160.92201	5.5
161.00995	7.5
162.01680	3.3
164.98592	5.7
168.92613	3.4
171.11789	4.0
194.99693	13.2
208.06824	3.1
210.99164	7.7
216.12402	3.8
219.05067	6.5
244.63559	3.0
375.14667	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2288
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
56.05034	0.7
58.06590	0.3
58.87880	0.3
60.04531	0.3
69.06711	0.5
69.07071	5.4
70.05722	1.2
70.06097	0.4
70.06223	0.3
70.06596	2.6
71.00305	0.4
71.06944	0.3
71.84005	0.2
72.08163	1.4
72.98164	0.2
76.84886	0.2
84.04512	3.1
84.08144	2.3
85.02895	0.6
85.08452	0.3
86.09711	100.0
87.10046	0.7
95.06103	0.2
97.06599	0.2
98.20808	0.3
102.05554	1.6
103.14832	0.3
110.06036	0.3
110.07179	0.6
116.07100	0.6
120.08125	0.9
123.35474	0.3
129.10242	1.2
130.05009	2.6
138.09146	0.4
143.11847	0.3
145.02911	0.5
148.06055	7.4
166.08633	0.4
177.05502	1.4
187.55446	0.3
194.08157	0.3
195.06480	0.5
199.18074	30.3
200.18420	0.4
212.09169	0.6
227.17552	14.8
261.14456	8.4
374.23224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	2.0
58.99588	2.9
61.01137	1.8
67.05508	1.3
69.07071	6.0
69.31967	9.9
70.06576	3.5
73.01154	5.3
78.22034	1.2
79.05497	8.0
81.07062	1.2
88.07622	4.8
95.05016	1.5
95.08591	1.6
97.06524	3.5
99.02702	6.5
101.04249	2.8
102.09170	1.9
104.98338	7.3
109.55058	1.0
111.02663	4.9
112.03455	6.4
113.04237	100.0
114.05071	9.2
119.08599	1.5
126.90635	1.2
129.03712	4.4
130.04500	2.3
131.05280	3.1
136.95503	1.3
142.99809	1.5
144.00624	1.3
145.01408	13.5
147.02989	2.4
163.02444	1.5
184.59157	1.2
246.19618	1.0
312.32498	5.4
374.36279	15.3
375.25278	3.4
375.36450	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	374.2289
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
56.05037	1.9
59.76985	0.4
67.05493	0.6
69.03430	0.8
69.06719	0.7
69.07073	8.3
69.30593	2.6
69.30999	1.1
70.06596	3.1
72.08160	2.2
74.06088	0.7
81.03425	0.7
81.07071	0.5
83.06107	0.8
84.04511	29.1
84.06451	0.5
84.08136	2.4
85.02912	1.6
85.04866	0.8
86.09712	100.0
87.10038	4.9
88.04034	0.5
91.05492	1.5
97.02895	0.5
98.21487	1.0
102.05553	12.3
109.02862	0.5
110.07194	1.4
120.08137	0.6
124.11201	0.5
127.03931	1.0
129.06613	11.9
129.10315	1.0
130.04991	0.7
131.11890	0.6
132.10219	31.0
137.05995	0.9
141.06622	0.9
142.05002	0.4
152.10747	1.4
162.05852	0.5
169.13396	0.8
170.11787	5.3
197.12871	18.5
197.14719	1.0
198.11412	0.6
198.13248	1.0
199.18127	1.2
201.05469	0.7
202.05797	2.0
215.13928	30.3
216.14374	0.7
225.12387	5.7
227.17581	0.9
242.15070	1.6
243.13353	6.6
243.15459	1.6
245.18715	1.4
310.21213	0.5
326.11200	1.1
338.20728	0.5
362.87759	0.5
375.00333	0.5
393.01563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24123	0.2
55.01881	0.4
55.05508	0.8
56.05030	1.2
57.03426	0.2
58.99587	0.3
60.04529	0.4
61.01156	0.3
67.05502	0.3
68.04996	0.3
69.03419	0.5
69.07088	1.1
69.41919	0.2
70.06598	4.2
71.06919	0.4
71.55050	0.3
72.08161	3.7
73.01120	0.2
74.00648	0.4
74.06088	0.3
81.03418	0.5
84.04510	4.9
84.08151	4.6
85.02905	0.8
85.08492	0.5
86.09708	100.0
87.10040	1.3
88.03981	0.5
91.05460	0.5
94.06552	0.5
95.04951	0.2
97.02884	0.3
102.05537	2.1
104.05257	0.3
106.05095	0.2
106.06554	1.1
110.07166	1.0
112.08736	0.2
112.11308	0.2
113.04226	0.5
114.05483	0.3
115.08640	0.2
116.07092	1.9
117.03415	0.2
117.07485	0.2
118.40186	0.2
119.04971	0.3
120.05219	0.2
120.08109	1.0
126.05543	0.5
127.03920	0.3
128.07016	0.2
129.06624	0.3
129.10242	3.0
130.05008	2.8
130.06560	0.2
130.08620	0.3
130.10620	0.6
136.07527	0.6
137.05986	0.9
138.06451	0.3
140.07106	0.3
140.48782	0.2
143.11778	0.4
144.06593	0.2
145.02835	0.9
147.11331	0.2
148.04869	0.4
148.06058	7.6
148.07347	0.5
149.59346	0.3
150.05551	0.3
152.07047	0.5
159.03969	0.3
159.11382	0.3
163.07568	0.3
166.08548	0.3
167.93768	0.2
173.12798	0.3
174.06422	0.2
177.05495	2.2
185.12828	0.3
187.10768	0.3
189.12383	0.3
194.08141	0.7
195.06552	0.9
195.58028	0.3
199.18063	30.5
200.18381	0.5
201.05455	0.7
202.05846	1.4
206.06801	0.2
212.09129	1.2
213.92807	0.3
227.17543	13.9
228.17793	0.4
232.37610	0.2
235.14380	0.4
250.08688	0.3
261.14481	6.1
267.11746	0.3
276.39951	0.2
308.09647	0.3
326.10995	0.6
331.13422	0.3
342.11597	0.4
374.03024	0.4
374.22949	0.9
375.23434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2288
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
53.03949	0.6
55.01871	0.5
56.05038	2.2
69.03436	2.8
69.07074	3.7
70.06589	3.1
70.67498	1.0
70.67858	0.6
71.05032	0.5
72.08157	1.6
73.02912	0.8
75.46367	0.3
81.03432	2.4
83.06103	0.7
84.04510	25.5
84.08138	1.5
85.02908	7.9
86.09708	100.0
87.00839	3.0
87.04487	0.4
87.10037	1.6
91.05486	15.5
96.04492	0.9
97.02882	2.8
99.04478	1.5
102.05550	11.3
103.03896	0.4
105.01875	3.8
105.07054	0.5
106.15031	0.4
108.04476	0.6
109.02908	2.6
110.07217	0.4
113.07131	0.9
114.05579	0.5
116.07109	0.6
117.27444	0.4
120.08103	1.1
121.42338	0.4
127.03936	5.0
129.06596	3.0
129.10242	1.0
132.10213	26.1
133.10590	0.5
136.07631	0.4
141.06581	2.8
145.04979	2.4
152.10704	2.0
154.06541	0.4
159.02893	1.2
170.11745	3.0
177.09102	1.1
189.03989	0.5
194.11705	0.8
197.12868	16.0
198.13150	0.6
215.13913	29.8
225.12338	5.6
231.05019	1.2
243.13405	15.5
245.18611	1.9
249.06085	0.6
261.14545	1.1
271.14304	0.4
356.21964	0.5
374.22470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1602
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
53.03954	0.3
59.44420	0.3
62.30140	0.2
65.03933	1.9
67.18913	0.3
69.03458	0.3
69.49863	1.8
72.08161	0.5
74.09724	0.7
76.03175	0.3
77.03930	0.5
79.05466	0.3
84.08145	0.5
89.03933	0.8
91.05486	37.3
92.05827	0.4
95.04949	1.4
103.05457	0.7
104.98278	0.4
105.03435	0.6
108.05733	0.3
118.04184	0.4
119.04951	44.4
120.05274	0.5
121.02873	0.3
127.03893	0.4
129.03381	0.5
132.02057	1.5
133.02876	0.7
135.04419	0.6
136.05226	1.6
136.89319	0.3
137.05977	0.5
145.02847	0.8
146.03639	0.5
147.04416	31.6
148.04738	0.4
149.02338	1.2
150.03131	0.4
151.07562	8.1
157.03954	3.1
162.03159	0.3
164.04759	0.8
175.03917	51.8
176.04306	1.0
177.05579	0.3
179.07060	2.6
192.04179	0.6
207.06538	100.0
208.06847	1.3
328.95367	0.3
370.81046	0.3
374.15784	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18906	1.9
56.05027	4.0
60.04526	3.8
60.24848	1.7
63.80580	1.6
69.07055	4.9
69.53569	12.0
70.06609	10.6
72.08158	18.1
72.84473	1.5
73.01136	1.6
81.03411	2.6
83.06105	2.3
84.04509	10.0
84.08155	14.6
85.02917	6.2
86.09708	64.3
87.10030	3.1
88.04018	1.7
89.03922	7.4
102.05540	2.9
110.07163	4.2
117.03391	17.4
120.08099	3.5
124.07610	6.2
127.03985	1.9
129.10260	9.2
130.05032	3.0
132.10239	2.1
136.05978	1.8
145.02846	41.7
148.06102	2.6
149.06004	7.2
162.07674	3.1
163.03925	3.6
172.17914	1.6
177.05484	100.0
178.05821	1.7
195.06552	36.6
199.18098	13.2
201.05475	2.4
202.05804	5.0
203.75421	1.7
212.12952	9.3
227.17557	4.0
240.55467	1.6
326.11108	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	374.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25099	0.4
56.09716	0.4
56.65341	0.4
59.40125	0.5
64.70895	0.4
65.03922	1.6
70.06577	1.6
77.03925	0.9
79.82108	0.4
81.03386	0.4
84.08125	1.3
86.09715	0.7
89.03904	1.9
91.05482	34.2
92.05808	0.5
95.04971	1.4
98.20728	1.5
103.05446	0.8
105.03332	0.7
107.04942	1.5
117.03379	1.4
118.04181	0.5
119.04947	41.9
120.05266	0.6
127.57159	0.4
129.03357	1.1
131.04906	0.7
132.02023	1.1
135.04358	0.8
136.05203	1.4
142.45720	0.4
145.02837	3.0
147.04411	30.7
149.02368	0.9
149.05972	0.8
151.07550	7.5
157.03983	2.5
157.05087	0.6
164.04732	1.2
168.10124	0.6
175.03914	53.5
176.04301	0.9
177.05481	4.1
179.07072	2.5
182.60895	0.5
192.04123	0.6
207.06532	100.0
208.06873	1.2
229.97839	0.6
236.10640	0.5
264.10016	0.9
283.12000	0.6
310.10959	0.5
374.16016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
56.05029	2.7
56.06866	0.7
57.03438	1.5
61.01150	1.2
61.02923	3.1
63.02395	0.6
69.03427	4.6
69.43311	4.5
70.06604	3.9
71.04979	0.9
72.08154	4.2
73.02888	0.9
74.02430	1.4
74.06094	0.7
81.03405	2.6
84.04494	4.4
84.08141	6.0
85.02908	17.0
86.09219	0.8
86.09708	11.4
87.10032	1.2
87.20718	0.6
88.04005	0.8
89.03924	5.8
91.03939	1.1
91.05459	1.1
93.07041	0.6
97.02901	4.5
99.04453	0.8
102.05540	1.2
104.05338	3.6
109.02866	1.8
109.37458	0.6
110.07169	1.5
113.04225	1.0
117.03381	16.7
120.08102	2.6
127.03912	3.4
129.10258	3.5
133.03192	2.2
134.03648	1.4
135.04425	1.9
136.07578	1.7
137.06003	1.2
145.02855	45.1
145.04970	3.4
149.05980	7.6
150.05827	3.8
151.98351	0.7
153.05450	1.0
162.03200	1.3
162.07573	0.9
163.03947	3.4
164.75975	0.6
177.05479	100.0
178.05789	1.2
180.08682	2.1
180.65939	0.6
186.05363	0.7
195.06540	48.0
197.12880	1.8
201.05559	1.4
202.05812	3.1
279.08609	1.0
284.02496	1.0
308.10126	0.8
326.11032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07928	0.6
55.05506	0.9
56.05038	3.2
58.83760	0.6
60.04519	0.6
60.84592	0.5
66.64565	0.5
67.05501	0.8
69.03420	1.3
69.07070	4.1
70.06593	9.8
71.04973	0.9
71.54713	1.1
72.08158	6.3
76.02238	0.6
81.07050	0.8
83.06110	33.8
84.04509	39.8
84.08144	7.7
85.02908	1.0
86.09711	100.0
87.10052	0.7
91.05461	0.8
93.07025	0.9
95.08620	1.0
96.04504	1.8
99.05561	1.5
101.07161	5.1
103.05455	0.9
107.04970	1.0
110.06065	0.7
110.07162	1.2
112.03969	0.6
113.07140	2.6
115.05521	0.7
116.07143	1.4
119.04951	1.0
120.08096	3.7
124.11259	1.0
129.06615	8.9
129.10257	4.6
131.11821	1.8
132.10214	35.0
133.10152	0.8
136.07616	0.6
137.05969	4.4
141.06566	3.2
143.11810	0.9
147.04428	0.7
152.10736	5.1
155.08322	0.8
157.07611	0.7
157.13348	0.7
159.09189	0.8
169.13388	3.2
170.06081	0.6
173.06075	1.4
175.04022	0.7
185.07060	0.7
185.12907	1.6
187.08780	0.8
189.12384	1.3
196.14471	26.2
197.12881	22.0
197.14703	1.2
201.05466	6.5
201.06967	0.7
201.12323	0.7
208.76717	0.6
214.15532	11.2
215.13954	2.4
224.13953	10.2
225.12367	5.8
230.12883	0.6
239.07912	0.8
242.14990	11.6
243.13332	3.1
245.18724	1.5
260.16049	0.8
263.46985	0.6
265.08621	1.2
290.01010	0.6
291.16251	0.7
293.08307	1.0
299.68643	1.2
307.09634	1.3
325.10892	3.1
329.11636	0.7
338.20859	0.6
355.11713	0.9
355.23398	19.6
356.21915	1.2
373.10165	1.7
373.13803	1.9
373.18430	1.6
373.24347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35606	4.2
55.01873	8.1
55.05513	5.3
65.03953	5.2
65.86692	3.8
70.06597	28.1
72.08145	16.2
72.12754	4.6
73.01118	5.7
79.05505	6.5
84.08148	22.6
84.65454	4.0
85.02940	4.0
86.09722	28.8
91.05495	14.5
94.04178	4.5
95.08641	5.1
96.92097	4.8
97.58708	4.1
98.97583	11.8
103.05478	8.8
104.39929	4.6
107.04976	5.0
109.06556	5.8
110.07181	7.1
115.05437	6.4
116.98613	12.1
118.77518	4.2
119.04909	5.9
120.08149	8.0
122.03652	12.4
129.07007	6.7
129.10240	8.8
131.04987	13.5
137.05981	100.0
147.04411	9.4
151.03918	12.9
151.07526	56.8
157.06471	13.7
158.07216	10.6
165.05478	11.1
172.08864	12.5
173.05994	9.6
174.06761	15.3
175.07591	12.7
176.08513	4.4
177.09160	5.4
179.07068	14.5
187.07585	6.6
188.03438	7.5
188.08354	14.7
189.09099	49.4
193.08548	7.0
201.05438	6.8
201.09097	63.5
203.08952	5.9
203.10603	22.0
219.08171	7.1
219.10262	5.6
225.10030	4.6
231.10199	20.2
241.08606	9.3
261.09064	7.3
262.10104	5.2
263.07095	6.3
274.10022	4.9
275.10477	6.3
277.12094	5.7
279.10306	6.6
284.10382	11.7
285.11127	6.2
291.10156	6.6
293.11664	10.6
294.12543	6.4
295.09695	8.2
305.11716	19.7
306.12494	9.6
310.12061	12.4
323.09052	5.4
325.10849	5.4
325.14310	27.2
325.17896	4.1
337.14377	28.1
355.15326	30.8
356.16193	5.0
373.17813	14.0
373.25250	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	373.2219
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
54.40098	6.4
55.05530	7.7
61.15705	5.6
67.05508	20.2
68.44798	5.5
69.07059	15.6
70.06612	6.6
70.88274	17.7
81.07056	16.2
83.04964	7.3
85.02900	6.8
86.09694	7.5
86.84303	5.3
93.07035	7.8
95.08593	30.9
104.05103	7.8
107.08607	24.5
108.33697	6.3
109.06508	10.4
109.10172	95.0
119.08598	33.1
121.10146	14.2
123.08109	9.9
123.11749	9.2
133.10153	16.3
134.10602	6.6
135.11707	100.0
137.09596	12.7
166.82460	6.0
175.14819	48.8
193.15874	48.6
211.16936	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.05498	1.2
56.05032	2.5
58.99570	0.8
60.04524	1.3
63.61440	1.0
65.03935	1.5
65.62988	0.8
67.05507	1.3
69.03417	0.9
69.07076	6.6
70.06602	24.7
71.06113	3.2
71.06900	0.8
71.55633	1.0
72.08162	7.7
74.06087	1.3
79.05479	1.5
81.07035	1.3
83.06111	24.1
84.04514	29.1
84.08152	16.0
85.02884	1.4
85.08498	0.9
86.09714	100.0
87.10038	1.0
91.05462	6.2
94.04153	1.1
95.04964	1.1
99.05590	22.6
99.08117	0.9
100.11217	1.2
101.07169	4.3
102.05569	1.8
103.05459	2.0
105.07012	2.0
107.04934	1.5
109.06491	1.2
110.07164	2.1
110.09660	1.1
111.04445	1.1
112.08717	0.9
113.07139	0.9
114.03797	1.1
115.05469	3.7
115.08739	0.9
116.07105	22.4
117.07027	1.4
118.06582	1.3
119.04965	6.2
119.36216	1.0
120.08121	2.0
122.03640	2.3
124.05257	1.5
129.06596	11.2
129.10243	11.5
130.04156	2.5
130.06543	4.3
131.11794	3.0
132.08115	18.3
132.10213	24.5
135.04437	1.3
137.04997	1.7
137.05989	23.5
141.06548	2.3
142.06563	1.3
143.04948	1.3
143.11809	1.9
144.08064	1.0
145.06496	5.4
147.04387	6.2
149.05989	1.8
150.06744	3.2
151.03912	1.0
152.10718	2.5
157.07631	0.9
158.03667	7.0
158.08452	4.9
158.09612	1.4
158.72430	0.8
159.09209	14.0
160.05205	1.5
160.07576	0.8
161.05977	1.4
162.03218	1.1
162.06667	1.4
167.07031	0.8
168.08102	2.2
169.07584	4.6
169.13382	2.6
170.06039	6.8
171.11269	1.2
173.06001	12.0
175.03926	3.0
175.07590	2.3
177.05527	1.4
177.07021	1.6
179.07068	2.2
180.07861	2.0
181.06366	1.0
183.15823	1.3
185.10764	2.4
186.03226	4.5
187.07066	1.8
187.08681	23.7
189.06993	1.6
194.07254	1.6
196.14467	21.4
196.16187	1.7
197.07147	3.8
197.12869	16.9
197.16475	1.1
199.18069	1.1
201.05487	75.7
202.05836	2.1
203.13956	1.4
205.06555	5.8
207.06436	1.6
210.14980	1.2
211.08725	2.0
211.15269	2.8
213.10255	1.4
214.15527	11.1
215.13908	2.4
217.06544	1.5
219.06424	7.9
221.05992	1.5
222.06758	3.3
222.12222	0.9
224.13933	7.9
225.06625	3.5
225.12369	4.4
228.15833	1.0
230.12917	14.6
231.06465	1.5
233.06017	4.8
234.06813	3.3
237.09140	4.2
239.08249	1.8
242.15013	12.3
243.13560	1.9
245.05992	1.0
245.18767	1.2
249.05415	2.1
249.09149	1.2
250.06201	4.6
251.07059	2.0
253.09767	1.9
258.12408	13.7
260.15881	1.5
261.05450	1.5
262.06323	2.0
265.08609	11.1
266.09280	1.4
267.07758	1.7
277.08597	1.8
278.05719	2.2
279.06598	1.0
279.10101	1.1
281.09094	2.6
282.09067	1.4
290.05762	2.1
292.07291	4.1
293.08099	8.3
294.08914	1.8
297.11224	3.3
299.10187	1.9
305.08163	3.1
307.09692	8.8
309.08713	1.0
310.08417	1.9
325.10724	19.6
326.10886	1.0
327.09747	3.1
329.11371	1.0
337.10672	2.1
338.21671	1.7
345.10602	2.1
355.11749	5.9
355.23428	11.7
356.22345	2.1
373.10187	17.9
373.18362	2.6
373.24780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.2
58.99592	16.9
61.01149	9.0
61.53846	2.9
67.05493	10.5
69.03426	4.3
69.07082	21.9
70.06596	34.8
71.04984	3.3
71.54522	4.0
72.08162	5.1
73.01145	19.5
79.05489	14.3
81.07068	6.9
84.04470	4.1
84.08152	19.2
84.96015	3.4
85.06539	4.1
86.09715	22.2
87.02688	2.9
89.00613	3.1
89.04317	3.3
89.06029	5.8
91.05477	5.9
93.07064	6.1
95.04977	5.9
95.08595	6.4
96.05744	7.0
97.01119	3.7
97.06541	26.6
99.02670	12.2
101.04248	29.1
104.98313	16.7
105.07006	4.4
107.08611	6.9
109.06579	3.8
109.75002	2.7
110.93951	3.6
111.02670	12.3
112.03452	20.4
113.04244	100.0
113.57108	2.8
114.86984	3.0
115.02126	3.7
118.06842	3.6
118.99902	2.9
119.08601	4.2
120.08096	5.4
126.15158	2.8
129.03717	24.0
129.10280	9.0
130.04482	12.6
131.05264	5.9
131.08546	3.1
133.01378	7.0
136.95395	3.4
137.05997	10.5
139.08406	7.1
142.99872	17.3
144.00612	3.7
145.01419	20.8
145.10110	4.5
159.09213	3.0
161.00906	6.5
163.02463	7.8
171.05569	3.8
172.00323	2.9
176.98613	3.7
194.99718	10.3
196.09715	2.8
235.02847	6.3
251.02303	7.9
277.08691	3.5
285.01144	5.0
313.11316	4.5
373.12350	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01609	6.6
58.99592	37.3
61.01160	9.1
67.05495	14.8
69.07081	75.9
70.06589	11.4
71.55254	14.3
73.01143	47.5
79.05489	14.5
81.07055	7.0
84.08148	8.9
86.09693	11.8
93.07059	7.7
95.04944	7.4
96.05750	9.7
97.06543	23.4
99.02708	19.7
101.04247	43.5
104.98313	24.2
111.02675	39.6
112.03458	23.5
113.04253	100.0
121.06521	29.6
127.02084	8.5
129.03720	75.3
130.04497	16.7
131.05232	8.8
133.01408	13.0
142.99855	27.9
151.13239	7.7
158.50856	7.6
161.00931	41.1
181.10921	8.9
214.00494	8.1
229.02925	30.0
237.04341	24.1
243.64671	8.9
250.09352	13.6
272.68896	9.3
299.12201	7.9
327.05640	13.7
331.07468	12.6
341.29071	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	373.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
58.99586	6.8
59.96731	1.1
61.01156	3.9
65.03953	1.1
67.05509	3.4
69.07070	7.0
70.06606	0.8
70.99579	1.3
71.54640	0.8
72.00356	1.2
73.01146	29.3
79.05495	9.2
81.07047	1.2
85.01144	2.6
86.99063	3.7
87.02699	1.7
89.00632	1.4
91.05492	1.1
95.04984	2.2
95.08609	1.2
96.05765	0.7
97.01131	1.3
97.06538	9.7
98.01883	0.8
99.02685	4.0
101.04252	6.8
102.96767	5.4
103.97539	13.4
104.98322	7.4
105.07059	0.7
107.01659	3.1
107.08572	1.4
108.38286	0.8
109.10155	1.8
111.02683	10.6
112.03465	6.7
113.04237	100.0
114.05066	1.0
115.02154	4.5
119.08581	1.0
120.97780	1.0
127.84509	0.8
129.03720	16.2
130.04469	2.6
130.99886	0.7
131.05220	1.1
136.95491	13.5
137.09634	0.8
142.99855	3.5
143.08893	0.8
144.00623	2.3
145.01418	3.0
153.07315	1.1
158.99342	0.7
161.00905	5.0
171.08394	1.7
174.97021	2.5
175.66533	0.7
268.26401	1.4
269.26666	7.0
336.68484	0.9
394.18018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.05494	5.5
67.05507	4.7
69.03437	11.6
69.07069	5.8
69.84650	23.2
70.03783	5.1
70.06581	15.1
71.04976	6.3
73.01140	6.6
73.03027	4.0
75.02749	5.1
79.05492	8.0
81.07056	10.5
83.04968	6.6
84.08159	9.2
85.02923	21.8
85.06528	7.0
86.09701	8.3
91.05458	8.2
93.07037	13.1
95.01332	10.0
95.04983	26.5
95.08624	8.0
96.01681	8.0
97.02914	5.4
97.06535	6.3
98.21451	5.0
98.61552	4.2
99.04472	6.3
105.07048	22.1
107.08599	13.9
109.10135	9.2
119.08562	6.7
121.08395	5.2
121.10149	13.2
125.06017	13.5
126.06284	4.0
129.10237	4.8
131.08566	22.3
133.10143	100.0
145.10149	10.3
147.11694	8.7
149.09692	6.8
149.13306	6.4
151.11171	23.3
153.05492	15.3
153.09062	8.8
154.05804	11.1
158.10922	6.8
163.14856	9.2
173.13290	48.2
178.10735	4.4
191.14308	53.5
209.15370	24.3
215.05563	12.8
216.05917	13.2
217.58365	4.3
228.15273	4.9
233.08763	4.2
251.11906	5.5
256.38083	3.8
336.22690	4.2
371.15930	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	372.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	15.5
55.05496	3.3
56.05024	8.9
57.03418	3.2
58.06601	79.2
58.99571	13.2
61.01159	25.0
62.06084	4.6
67.05480	5.2
68.05029	8.3
69.03424	5.6
70.02945	3.9
70.05455	10.6
70.06593	44.4
72.08156	9.7
73.01162	6.0
73.02924	19.2
73.04754	7.8
74.00665	30.3
74.06068	3.4
76.02241	23.2
76.03988	3.6
78.21613	3.2
82.06583	9.7
83.07347	9.4
84.04503	44.9
84.08152	45.3
85.02897	8.7
85.04024	11.7
86.09714	27.3
86.23370	3.6
86.99054	3.2
88.04005	8.0
90.03754	5.7
91.05794	23.1
92.01726	3.4
92.06169	4.7
97.02888	7.2
98.21465	5.1
98.97567	4.1
99.02678	21.6
102.05539	7.2
102.54785	3.2
104.98322	100.0
107.99392	13.2
110.07165	8.0
112.03961	13.2
116.01666	12.9
116.05333	37.0
116.07094	34.6
116.98569	5.0
120.01184	17.3
120.38609	3.1
124.07567	13.0
126.03730	13.2
127.03936	4.4
129.05482	4.1
129.10201	8.9
130.05005	42.7
130.99817	4.1
131.04533	8.2
132.10184	4.0
136.06158	26.0
136.07680	3.1
144.01094	4.0
145.03204	15.7
148.02492	21.0
148.06044	13.7
150.09192	4.8
160.04213	4.5
162.02214	14.3
162.05806	24.0
164.10747	3.9
176.01984	4.5
177.00496	3.8
177.03340	29.9
179.04846	23.8
188.02057	4.5
192.10269	4.8
194.01323	4.1
194.03062	67.3
197.12840	6.8
202.05341	14.6
210.11272	10.7
211.02058	11.1
219.07980	50.3
251.05193	65.9
269.97879	6.0
279.00320	3.2
285.00980	4.7
286.00986	10.7
356.07236	7.5
372.06680	7.1
372.10809	5.0
372.16544	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
55.05490	2.4
57.03430	2.9
61.02928	3.9
67.05501	2.8
69.03429	12.3
69.07061	3.1
70.06612	2.7
71.05013	1.9
71.44389	3.2
73.01145	25.6
78.96776	5.8
81.03419	7.5
81.07062	5.8
83.05001	3.8
84.04516	3.6
84.08124	2.2
85.02428	2.4
85.02912	25.5
86.09699	2.8
93.07057	3.3
95.04967	2.4
95.08597	5.5
97.02880	8.0
99.04459	1.7
105.07019	3.8
107.08601	9.5
109.02919	3.3
109.06536	6.1
110.59018	2.0
119.08624	3.9
120.08110	5.5
121.01447	7.8
121.08475	2.8
121.10168	8.3
123.08070	7.3
123.11695	3.6
127.03925	6.3
133.10135	4.6
137.09653	10.0
141.76590	1.7
145.03189	4.1
145.04987	4.7
147.11652	2.6
149.09624	9.8
149.13257	8.1
151.11203	15.3
162.05835	4.7
165.11414	3.2
165.12769	40.9
170.08131	3.3
173.13191	2.7
191.14328	16.6
209.15390	100.0
210.15590	3.0
251.06915	1.9
268.97906	2.5
291.10098	3.8
387.40149	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	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.32224	3.6
53.03940	8.1
55.05515	38.6
55.29657	3.3
57.03432	9.0
57.07081	23.9
58.95203	3.6
59.04974	5.4
61.02924	6.3
66.60354	3.6
67.05501	14.0
69.03432	38.7
69.07075	43.4
70.06595	37.7
71.01352	4.2
71.04989	7.9
71.34573	6.4
72.08146	12.0
79.05502	35.9
81.03414	14.4
81.07060	100.0
83.04991	18.9
83.08143	5.8
83.08624	88.4
84.04509	5.6
84.08137	25.0
85.02924	35.7
85.06540	8.2
86.09698	31.7
91.05444	10.4
91.76965	3.3
93.07053	44.6
95.04939	8.2
95.08639	17.9
97.02896	14.0
97.06521	17.1
97.10199	4.0
99.04466	8.1
103.05482	4.5
105.07025	15.8
107.08607	44.1
109.02873	10.1
109.06535	71.3
109.10175	48.7
110.07155	8.1
111.08112	29.6
119.08569	11.1
120.08057	6.7
121.10160	42.1
123.08074	9.5
123.11691	33.7
125.13260	11.8
127.03942	21.9
127.07584	7.7
129.10231	9.3
131.08533	5.9
133.10133	21.8
135.08054	17.0
135.11679	7.5
137.05962	10.6
139.07542	4.0
139.11092	4.6
145.04987	11.7
145.10161	3.7
147.04439	11.9
147.11732	6.1
149.13284	59.3
151.11128	7.1
153.09132	11.6
159.11729	3.9
163.14847	12.9
167.07071	3.7
167.14331	72.3
171.10162	10.7
173.13287	14.9
191.14384	42.5
209.15388	34.0
227.16515	6.3
317.78293	4.1
353.13684	4.8
353.19803	8.9
371.16345	8.2
371.20779	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01878	11.8
55.05515	31.3
57.03441	8.4
57.07069	1.9
59.04986	2.0
61.02936	11.3
65.30645	1.4
67.05508	9.5
69.03086	2.1
69.03436	41.5
69.07085	10.8
69.33362	3.7
69.33782	8.8
70.06596	13.4
71.01328	2.1
71.04984	6.6
72.08150	6.7
73.02920	7.7
73.93265	1.4
79.05486	6.3
80.30404	1.3
81.03424	19.4
81.07055	14.0
83.01366	2.3
83.04987	50.7
83.08141	2.0
83.08625	32.4
84.04498	3.0
84.08142	8.5
85.02911	62.8
85.06544	4.2
86.09717	16.1
87.04474	6.4
91.03956	1.4
91.05488	6.6
91.73633	1.5
93.07040	12.2
95.04975	14.0
95.08619	13.0
97.02896	29.1
97.06528	9.9
97.10159	5.3
98.20708	2.6
99.04436	8.4
99.08114	2.7
103.03931	9.9
105.07049	8.8
107.04954	3.6
107.08604	21.4
109.02905	13.4
109.06513	7.9
109.10159	16.4
110.07164	3.5
111.04436	4.8
111.08099	9.6
113.06017	2.0
113.09639	1.6
115.03898	1.9
119.04958	1.5
119.08591	3.9
121.06499	7.7
121.10131	14.9
123.04414	4.8
123.08076	12.0
123.11719	7.7
125.05996	6.4
125.09657	12.4
127.03926	15.2
127.11165	2.4
129.06967	1.7
129.10219	3.8
131.08568	2.7
133.06479	1.8
133.10141	8.3
135.08072	4.2
135.11702	2.1
137.06003	7.7
137.09612	3.8
139.07607	2.1
139.11197	29.8
145.04958	9.2
145.06448	2.7
145.10046	3.0
147.08025	2.5
149.05995	3.4
149.09607	5.0
149.13260	5.7
151.03932	1.6
151.11188	36.3
153.05490	1.5
153.09113	1.8
155.10678	4.0
157.10059	2.7
159.07951	2.1
159.11771	1.8
159.57103	1.5
161.09702	3.0
163.11174	3.3
165.09116	1.6
167.07034	6.7
167.14328	44.9
169.12271	5.4
171.11542	1.6
172.96147	1.3
173.13286	3.8
173.36140	1.5
175.07544	1.7
177.12798	1.7
179.10713	1.9
179.14375	1.6
181.08672	2.2
181.12245	38.3
185.08078	5.3
191.10542	1.6
191.14357	7.1
193.08585	4.1
195.10138	2.9
201.12552	2.1
209.15381	100.0
210.15685	2.8
219.13783	4.9
233.15346	6.5
237.14893	5.7
237.20218	1.7
251.12697	1.6
259.13092	1.9
263.16409	3.4
275.16519	2.8
295.15378	2.2
313.16504	3.1
317.17468	3.6
335.18475	4.4
353.10373	2.1
353.19736	4.5
355.06808	2.7
371.16479	3.0
371.20667	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	371.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	2.2
57.03442	3.5
61.02911	2.4
69.03426	7.4
70.02945	2.1
71.45544	2.6
74.02446	15.1
81.03416	4.6
84.04507	2.6
84.08134	2.6
85.02921	30.5
94.06579	89.9
97.02876	10.3
99.00838	11.9
104.04978	5.4
106.06569	3.4
109.02836	2.7
115.03874	2.1
117.02492	1.8
118.06554	36.8
120.04476	37.7
127.03899	6.2
130.06509	4.0
132.04451	8.2
132.08086	5.4
136.06195	2.1
136.06427	2.6
136.07587	43.6
136.08562	4.1
145.05051	2.4
146.06021	63.2
146.07988	4.1
149.24933	1.8
150.05515	15.2
156.04413	4.4
158.05965	3.8
160.07562	6.7
162.05481	3.3
163.08675	8.7
164.07063	4.6
170.06003	10.3
174.05525	28.8
184.07579	6.3
185.08295	2.0
188.07120	4.1
190.04936	5.1
192.06577	100.0
196.07642	4.7
198.05588	2.9
198.09099	4.9
202.08632	2.9
209.09245	79.0
214.08659	2.0
218.06639	3.1
226.08597	3.4
234.07639	5.0
236.07097	3.7
252.06625	3.0
262.10724	2.7
264.06537	2.2
270.07648	13.6
282.07578	2.3
299.45944	1.9
300.08679	2.3
318.09796	9.8
335.12350	5.6
336.10782	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	371.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
53.11619	1.0
55.05497	2.4
56.96557	1.3
57.03421	1.2
58.99588	14.1
59.96708	1.2
61.01152	14.6
65.00652	5.4
67.05505	7.4
69.02589	1.0
69.07072	15.3
70.06589	2.8
70.99580	5.9
71.13019	1.6
71.13343	1.8
72.00330	2.8
72.08160	1.4
73.01148	33.3
75.02686	3.9
79.05498	13.8
80.87299	1.3
81.07047	2.8
84.08127	1.9
85.01136	3.5
85.54230	1.1
85.91380	1.2
87.02674	3.5
91.05828	1.7
93.06997	1.7
95.04949	3.1
95.08589	2.3
96.05751	2.8
97.01118	3.5
97.06540	9.7
99.02696	15.7
101.04246	14.0
101.06022	1.3
103.21573	1.2
103.97540	3.3
104.98325	31.8
105.07066	1.8
107.08597	2.5
108.00266	1.1
109.10180	2.3
111.02676	20.3
111.04417	1.3
112.03469	16.2
113.04242	100.0
114.05029	5.6
115.02200	1.9
115.05846	1.2
116.98338	1.5
118.99873	3.4
119.08540	1.3
121.10063	1.2
125.04195	2.1
127.02184	1.7
129.03717	27.7
130.04498	6.7
130.99831	1.7
131.05272	2.5
131.08585	1.1
133.01431	2.5
136.95580	2.0
137.00905	13.5
139.05782	30.4
142.99850	12.4
144.00644	3.3
145.01459	11.6
147.06419	1.5
149.04176	2.2
151.05757	2.7
152.06531	4.8
154.99863	2.1
161.00919	7.8
168.98064	1.1
169.01376	2.1
176.98639	1.5
183.03001	18.8
217.01773	2.0
235.02873	2.8
312.12973	1.2
317.25363	1.4
371.03149	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.8
61.01172	0.7
62.99076	3.5
63.94444	1.3
67.05494	1.3
69.03085	1.4
69.03433	19.6
69.07070	0.9
70.06590	1.0
71.11868	1.6
73.01141	5.7
77.04245	1.0
79.05500	2.6
80.94717	1.5
83.01304	0.7
85.02908	20.4
91.02185	17.4
92.02966	39.4
95.01337	28.2
95.04974	3.2
96.92408	15.9
97.02850	1.0
97.06542	4.8
103.03918	1.4
104.98317	4.1
107.04944	1.2
113.02366	1.6
113.06030	1.2
115.28671	0.6
123.04407	1.7
125.06004	20.7
127.03940	2.1
136.68800	0.6
137.06030	0.8
141.05440	2.2
143.07076	2.7
153.05482	19.9
155.06903	0.7
156.98119	100.0
215.05516	15.7
238.95137	0.8
273.09698	0.7
282.50092	0.7
303.78677	0.7
371.16119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.0
58.99583	4.6
59.05007	2.0
64.01647	4.1
67.05492	3.0
69.07063	12.2
70.06589	1.9
70.99565	2.4
71.55968	2.3
73.01151	23.7
78.96810	2.4
79.05492	7.1
81.07062	2.5
84.08155	2.0
85.98037	100.0
86.98809	4.7
91.02258	1.9
91.05827	1.9
95.04977	1.8
97.01141	3.1
97.06554	1.7
99.02692	10.1
101.04282	3.6
104.98324	2.9
105.03723	5.4
111.02699	8.3
111.03367	2.1
111.04408	2.0
112.03468	11.1
113.00366	4.5
113.04240	68.4
113.67575	1.4
114.05007	4.7
115.05782	2.9
116.98308	3.6
118.96014	5.1
121.01434	2.1
128.98045	8.6
129.03719	6.8
129.05534	1.6
130.04483	2.1
139.05785	9.3
142.99831	4.7
145.01434	15.4
147.06508	2.7
148.97067	1.9
158.99129	6.4
161.00888	2.1
161.45721	1.5
163.02467	3.1
179.05594	6.9
183.02989	4.7
192.97856	16.1
233.01019	40.8
238.96663	2.0
297.00882	7.5
307.02893	23.8
307.06079	2.6
314.11859	1.5
371.02817	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	371.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.9
57.42717	0.6
61.01131	1.0
62.99070	2.9
67.05499	1.7
69.03437	29.6
69.07069	1.8
70.06586	1.4
70.74094	2.3
73.01143	7.1
77.04261	1.2
77.21631	0.7
79.05487	3.2
80.94696	1.8
81.07062	1.1
83.01340	1.2
83.04955	0.8
84.08131	1.1
85.02910	27.9
86.09707	1.3
90.01401	2.7
91.02187	19.3
92.01002	1.4
92.02380	1.7
92.02968	41.2
95.01336	45.4
95.04974	3.1
96.92413	15.8
97.02886	1.2
97.06522	6.1
99.04463	1.1
103.03968	1.0
104.98331	4.4
107.04962	2.2
107.08572	0.7
110.07137	0.7
111.04396	1.3
113.02369	2.2
113.06014	1.5
115.03908	1.3
123.04420	1.1
125.05999	32.3
127.03936	1.5
137.06026	1.2
140.58582	0.7
141.05501	1.8
143.07056	1.4
151.03903	0.9
153.05482	32.7
156.98125	100.0
157.98177	0.7
167.07066	0.8
174.85342	0.8
187.05893	0.8
191.14256	1.2
215.05518	20.7
250.11009	1.5
251.11790	5.5
252.12425	0.9
265.13416	4.8
267.14560	0.7
268.98038	0.8
293.12894	1.1
306.54517	0.7
311.13937	6.4
347.47552	0.8
371.16046	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	370.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35175	0.6
55.05530	0.8
56.04786	1.2
56.05040	15.1
60.04524	0.7
61.01155	13.4
64.02169	0.6
66.10701	0.7
68.05031	18.5
69.03429	1.2
69.95258	2.6
70.06598	7.5
72.08156	5.0
74.06081	2.4
81.03397	1.0
83.06126	1.1
84.04517	4.2
84.08145	7.3
85.02913	1.0
85.04028	0.7
85.07674	1.4
86.09719	6.4
87.05578	1.6
88.03993	1.0
91.05413	3.9
95.04982	1.3
95.06075	0.7
96.04512	6.4
97.02920	1.0
98.20871	0.9
102.05552	1.0
104.05336	8.1
107.04961	0.8
110.07179	7.1
113.07140	100.0
114.07492	0.8
119.04962	7.3
120.08102	2.7
123.04440	7.1
129.10252	4.4
136.07594	30.5
141.06624	2.0
147.04419	3.4
150.05559	0.9
150.06769	0.9
158.99379	0.6
161.07451	31.4
165.05490	13.9
175.08699	0.7
182.08142	22.6
189.06961	11.7
190.08734	1.2
222.98492	0.6
238.26750	0.7
239.10263	1.2
242.70543	0.8
285.00778	1.1
308.73285	0.8
346.00110	0.6
370.06570	0.8
370.14664	2.5
370.21942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01858	3.0
55.05502	3.9
56.05035	3.8
57.03428	4.5
59.04999	1.4
60.04509	1.0
60.58566	1.0
61.02932	10.7
65.38805	1.0
67.05494	1.2
69.03430	31.9
69.07050	3.2
70.06596	14.4
71.04981	4.3
71.54534	1.9
72.08157	8.5
73.02917	5.0
74.06056	1.5
81.03426	13.9
81.07054	1.7
82.06573	2.2
83.06096	2.4
84.04508	4.7
84.08146	12.4
85.02910	61.3
86.09708	10.7
87.00845	2.3
87.04469	5.7
91.03980	4.8
91.05471	1.9
91.05856	0.9
93.05737	1.0
93.07073	1.2
94.06582	1.1
94.43039	1.0
95.04942	1.2
95.06067	1.2
96.08115	1.2
97.02894	24.4
99.04461	5.7
101.07134	1.3
102.05531	2.2
105.01859	1.8
105.07047	2.8
107.08575	3.4
108.08120	6.2
108.51134	1.0
109.02877	9.7
110.07178	7.8
112.08742	1.1
115.03939	1.2
115.07501	1.2
116.07057	2.0
119.04929	1.1
119.08587	7.2
120.08126	5.4
122.09683	2.2
125.00060	2.3
127.03938	19.2
129.10245	6.7
130.05002	1.2
131.08553	2.1
133.10144	4.4
134.09637	2.3
135.10464	2.5
136.07599	3.8
136.11249	1.9
145.04987	14.6
145.10120	2.3
146.06003	3.4
146.09647	1.0
147.04420	1.3
147.06386	2.3
147.11676	12.1
148.11237	3.6
150.12785	93.3
151.13126	1.5
160.11258	5.2
164.14362	16.6
166.05043	2.4
173.13254	3.3
175.13588	1.8
176.04317	2.0
190.15916	82.5
191.16269	2.4
192.17499	14.8
208.16977	4.6
244.03780	4.2
245.04079	4.4
273.07544	1.6
274.08044	1.9
326.19681	5.6
370.22308	100.0
371.22748	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	370.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99591	39.4
60.38050	4.6
61.01151	38.8
67.05495	12.5
67.28226	4.4
69.07076	40.5
69.44021	23.3
69.44455	14.9
72.08188	5.3
73.01141	31.3
79.05486	7.7
81.07067	5.5
85.01128	5.0
91.05511	6.0
94.34949	4.7
95.04961	4.7
96.05753	6.2
97.06532	28.6
98.21544	10.5
99.02679	14.3
101.04243	48.7
101.91267	4.2
102.96758	5.8
103.97523	7.7
104.98323	87.2
107.26049	4.9
109.10138	5.1
111.02655	17.1
112.03475	22.3
113.03510	8.1
113.04234	95.6
115.02222	5.6
129.02805	8.2
129.03705	100.0
130.04472	15.7
131.05228	13.4
136.95494	15.3
142.94337	5.0
142.99867	15.2
145.01419	8.1
161.00911	28.8
163.02551	4.8
235.02948	11.2
325.04257	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	370.1
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99589	24.7
61.01161	24.2
67.05492	9.8
68.12009	2.3
69.06730	2.4
69.07072	27.9
70.01157	10.9
70.99583	4.8
73.01147	19.6
79.05470	7.2
96.05746	7.0
97.06534	23.9
98.20833	3.3
99.02698	11.8
101.04252	29.1
103.97560	6.1
104.98325	52.1
108.07627	2.4
110.02323	2.4
111.02687	16.5
112.03451	17.8
113.04241	100.0
115.02126	4.2
129.03720	61.5
130.04456	11.2
131.05305	16.8
133.01390	2.5
136.95488	8.4
139.05721	4.8
142.99869	16.4
144.00642	4.2
145.01402	6.0
161.00903	20.9
203.05528	2.6
235.02826	39.7
260.55008	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	370.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
57.03434	4.9
67.05502	1.9
67.91647	1.6
69.03076	2.9
69.03436	44.4
69.07073	2.1
69.95413	5.1
69.95805	3.4
70.06586	5.5
71.38037	1.6
72.08149	3.0
78.24611	2.1
79.05491	6.8
83.01350	2.6
83.04974	1.5
84.08142	2.8
85.02906	48.8
86.09695	14.3
87.04488	1.8
95.01332	76.2
95.04983	10.7
97.06552	10.1
99.94552	1.6
103.03954	4.9
111.98116	1.7
113.02379	5.9
113.05998	5.7
116.07098	4.4
120.08128	3.1
123.04415	4.9
125.05999	67.5
127.03922	6.5
135.94598	1.6
140.54950	1.6
141.05440	4.2
143.07040	8.1
146.55226	2.2
151.03938	3.7
153.05475	63.4
156.01456	2.4
168.89885	1.7
187.06004	4.4
197.04474	8.6
215.05511	100.0
232.08183	14.9
288.98300	2.0
370.06323	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	369.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.5
56.05023	2.8
57.03426	3.0
58.99570	2.5
61.01162	12.1
67.05488	3.1
69.03436	26.5
69.07053	6.3
70.06585	5.5
70.10912	6.4
72.08178	1.5
73.01145	36.2
74.06055	2.0
78.96767	6.6
79.05490	7.8
81.03405	3.0
81.07026	4.4
84.04504	2.1
84.08134	7.3
85.02906	22.8
86.09698	5.6
87.02701	2.1
87.04464	1.5
89.03728	2.6
89.04256	37.5
91.05461	7.5
93.07036	3.1
95.01332	32.8
95.04951	4.5
97.02878	4.8
97.06513	5.7
104.98300	4.0
105.06990	1.7
106.99884	2.8
107.04937	3.4
109.10150	1.9
110.07152	3.1
113.02361	2.8
113.04218	2.6
113.05994	3.0
115.02150	3.4
119.04961	7.6
120.08082	4.8
121.01440	8.0
123.04412	3.0
125.05990	36.2
127.03918	3.8
129.10249	1.9
136.75525	1.6
141.05521	2.1
143.07051	3.5
147.04451	6.0
149.96690	1.7
151.03880	2.6
152.07082	2.2
153.04297	3.0
153.05469	38.3
161.09685	1.7
167.06967	2.2
175.03900	11.3
187.06042	1.8
197.04462	6.6
201.27498	1.5
207.06549	24.9
207.55496	1.6
215.05510	100.0
216.05939	2.0
245.04747	2.5
254.23589	1.9
255.08650	3.6
263.05798	3.6
369.11572	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	369.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.05505	5.1
57.03437	3.4
57.07071	6.3
58.99593	46.4
60.04532	2.5
61.01157	48.1
62.99075	5.5
65.03934	4.0
67.05508	20.6
69.03424	7.6
69.07070	46.4
69.99975	8.5
70.00389	5.5
70.06583	7.9
70.99570	7.8
71.01365	16.9
72.00353	3.8
73.01144	38.9
79.05498	11.8
80.82555	2.6
81.03419	3.7
81.07066	5.4
84.04501	3.6
84.08146	7.0
84.34487	2.5
85.01120	4.7
85.02895	7.1
85.06548	3.5
86.09704	6.4
87.02684	5.4
88.03994	8.4
89.00597	3.4
89.02379	10.5
90.01443	13.6
91.05477	6.2
93.07056	4.7
95.01330	9.5
95.04958	9.5
95.08610	6.2
96.05756	12.4
97.01178	2.5
97.02865	3.6
97.06538	37.7
98.21498	3.2
99.02689	13.0
100.38908	2.4
101.04252	69.2
103.97528	7.7
104.97617	4.8
104.98325	93.2
105.07031	6.1
107.08610	5.7
109.10160	6.7
110.07148	4.0
111.02666	23.0
111.34042	2.3
111.63365	2.5
112.03467	10.0
113.04246	62.9
115.02154	9.3
115.07542	3.5
116.98320	4.6
119.04984	6.2
119.08594	4.0
119.60390	2.7
120.08074	3.7
121.10129	4.1
123.08119	2.8
125.06018	4.2
127.02158	5.2
129.03714	100.0
129.10216	3.0
130.04497	25.0
130.99812	5.0
131.05261	8.3
133.01414	8.9
136.95488	6.7
140.95760	2.4
142.99837	12.5
145.01404	2.9
145.13651	2.5
147.04736	9.9
153.05400	3.8
154.96555	5.2
161.00925	18.0
163.02449	3.4
171.64607	2.7
175.03957	4.7
203.05547	4.8
207.06519	10.7
215.05440	4.2
231.44962	2.5
297.80084	2.5
329.10638	2.5
347.26822	2.7
369.24286	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	369.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.18107	0.3
55.01868	5.4
55.05310	0.4
55.05519	4.4
57.03437	3.5
57.07067	1.0
58.99571	0.3
59.04989	0.5
62.06094	0.3
65.03941	0.5
67.05168	0.5
67.05508	5.9
69.03427	0.7
69.06712	0.5
69.07071	5.9
69.16901	0.3
70.06609	0.4
71.05024	0.5
71.08620	0.4
71.55883	0.5
73.01125	0.9
73.06567	0.3
79.05067	0.4
79.05500	6.6
81.07062	27.5
82.07399	0.4
83.04980	3.0
83.08623	2.1
84.08125	0.5
85.98052	0.5
86.09708	0.4
91.05478	3.2
93.07051	5.3
95.04966	1.1
95.08613	6.3
97.06514	1.9
97.10169	0.4
99.02692	0.3
100.11275	0.4
101.09666	0.4
104.98335	0.6
105.07043	4.8
106.97884	0.4
107.08612	4.8
109.06533	11.8
109.10162	3.1
110.07153	0.4
111.04449	17.5
111.08089	1.6
112.03480	0.5
113.04231	1.6
113.06036	0.4
117.07012	0.8
119.08589	4.3
121.06488	0.7
121.10151	4.1
123.08078	2.1
123.11697	1.9
125.06000	6.7
125.09693	0.4
126.47060	0.3
129.03709	0.7
129.07040	0.5
130.99959	0.4
131.08562	2.4
133.06516	0.4
133.10141	4.8
135.08047	2.8
135.11694	4.3
137.05983	100.0
137.13271	2.3
138.06339	1.1
139.05699	0.3
139.07571	0.8
142.07776	0.5
142.99892	0.9
143.08575	1.4
145.10146	2.0
147.08035	1.2
147.11693	5.8
149.09631	4.6
149.13280	1.1
151.07552	2.9
151.11192	1.4
157.10104	1.6
159.11696	1.0
161.09628	6.1
161.13263	2.5
163.11185	2.5
163.14810	0.8
165.09169	2.1
165.12762	0.8
167.10712	0.8
171.11690	0.9
173.09628	0.4
173.13280	0.5
175.11200	4.5
175.14903	1.2
177.09094	0.5
177.12732	0.6
179.10721	2.0
181.12210	0.5
185.13367	0.3
189.12776	1.1
193.12271	1.7
195.11835	0.4
197.13226	0.4
203.17999	6.6
205.19547	1.1
207.13750	0.6
211.75642	0.3
213.16399	2.6
215.31210	0.4
221.19044	2.5
223.14812	0.7
230.87981	0.3
231.17461	9.7
241.15884	1.5
249.18513	13.3
259.16843	0.4
277.18002	57.7
278.18399	1.7
295.19043	14.6
296.19165	0.5
309.12283	0.4
309.20547	0.4
332.83487	0.3
351.21658	8.7
369.14584	0.7
369.22708	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	369.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02991	1.0
55.05503	1.8
57.03443	6.2
58.99586	1.4
61.01164	6.4
64.87815	1.0
67.05508	4.8
69.03440	21.6
69.07083	3.6
70.06606	2.7
71.05033	1.1
71.54832	1.0
71.55209	1.8
72.00364	4.7
72.08179	1.9
73.01149	26.6
75.02724	6.6
76.18881	1.0
79.05508	6.4
79.63827	1.1
81.07066	3.4
83.04957	1.7
84.08147	3.7
84.58703	1.2
85.02911	24.7
86.09718	3.9
89.00630	24.2
90.01408	100.0
91.02228	1.1
91.05483	4.7
92.98326	1.7
93.07040	2.9
95.01338	35.6
95.05002	7.0
95.08620	1.8
97.06547	6.3
99.04484	1.9
102.96745	2.2
103.03958	3.8
103.97572	3.4
104.98322	3.5
105.07012	1.4
107.04974	2.3
109.10158	1.3
110.07166	2.3
113.02354	2.6
113.04243	3.5
113.05981	1.5
114.44543	1.1
116.98299	1.7
119.08572	1.5
120.08151	2.0
120.97812	3.3
123.04475	2.2
125.06001	27.5
127.03930	3.9
129.10258	1.8
131.08591	1.7
136.95505	2.2
141.05467	2.9
143.07050	3.1
153.05487	23.6
154.96555	59.8
174.12769	1.0
175.03981	1.6
187.06041	2.4
197.04498	2.3
207.06461	2.0
215.05507	15.2
237.13054	1.4
276.20068	1.0
289.08408	1.1
369.14450	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	369.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58375	4.8
55.05510	16.9
57.07071	6.0
58.99591	51.4
61.01155	54.0
62.99085	7.0
65.03944	5.8
67.05502	34.3
69.07069	62.1
70.06586	5.1
70.99579	4.4
71.01369	21.7
71.08618	5.1
72.00379	4.5
72.08185	4.0
73.01143	39.2
74.75150	4.1
79.05490	26.1
81.07066	26.8
83.04990	6.2
83.08614	12.4
84.08170	5.7
84.97255	4.5
85.01109	4.8
86.09724	9.0
87.02631	5.0
87.07066	3.9
89.02391	10.3
91.05501	14.1
93.07045	13.0
95.04964	10.1
95.08611	11.5
96.05748	10.6
97.06541	35.4
99.02678	13.2
99.08166	6.3
100.11279	7.6
101.04247	71.7
101.06032	6.1
103.97561	7.4
104.98319	100.0
105.07046	11.8
107.08595	11.7
109.10160	5.4
110.07149	6.7
111.02663	22.9
111.99571	98.9
112.03447	11.7
113.00344	25.3
113.04236	67.5
115.02200	9.4
115.07581	4.5
116.98383	4.8
117.07051	4.0
119.08562	7.4
121.10130	5.8
123.39103	4.6
127.02174	4.8
129.03717	96.2
130.04495	28.0
131.05261	11.6
131.08580	8.3
131.96759	74.9
133.01430	5.3
133.10161	5.1
136.95500	12.6
139.05772	4.9
142.99876	10.9
145.01399	5.7
147.04738	10.5
147.11716	6.9
149.09575	5.7
149.13243	4.8
157.98340	4.5
161.00914	15.3
203.14481	4.8
204.97913	16.6
220.97356	20.3
277.21661	12.8
287.48810	4.3
294.99371	8.9
369.01294	8.3
369.26746	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	369.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
53.57914	2.0
55.05495	2.9
57.03439	3.2
61.01161	12.0
62.54352	2.2
67.05501	4.6
69.03435	28.5
69.07066	3.8
69.24051	4.2
69.24457	18.0
70.06599	5.5
73.00787	2.7
73.01148	35.9
74.06059	5.0
78.96792	4.7
79.05482	7.5
81.03412	3.1
81.07053	4.6
84.04514	2.6
84.08123	6.7
85.02909	20.5
86.09694	3.6
89.04262	41.3
91.05473	7.5
93.07046	3.0
95.00788	3.1
95.01337	36.7
95.04937	5.6
95.08585	3.1
97.06557	6.0
98.21505	5.5
104.98325	3.1
105.06975	2.1
105.95371	1.9
106.99901	4.7
109.06561	2.9
110.07170	5.8
113.02336	2.2
119.04945	4.0
119.08549	2.3
120.08111	4.2
121.01430	5.2
121.10151	2.3
123.04410	3.5
125.05995	29.6
127.03911	5.3
143.07082	2.7
151.03886	3.3
153.05478	35.9
175.03885	2.9
187.06003	3.2
197.04469	6.6
207.06546	9.1
215.05515	100.0
252.03687	2.4
263.05722	5.1
265.16901	2.0
309.12146	3.6
369.14246	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	368.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01857	2.6
55.05507	3.6
57.03432	5.7
61.02942	9.3
67.05493	2.9
69.03439	26.6
69.07079	12.9
70.03133	8.1
70.06586	5.4
71.04993	3.0
71.08602	1.7
71.39865	1.6
73.01136	7.6
73.02914	4.7
79.05495	1.8
81.03419	9.0
81.07060	6.3
83.08621	5.5
84.08131	4.1
85.02914	100.0
86.09691	4.8
87.04461	2.1
89.00608	5.0
90.01416	23.1
91.03989	8.4
91.05488	3.6
93.07012	3.4
95.01345	10.1
95.08608	2.4
97.02904	25.8
97.06554	2.5
98.20753	2.2
99.04446	7.5
105.07018	4.7
107.08615	2.6
109.02888	8.0
109.10170	2.7
110.07134	4.3
119.08557	3.4
120.08099	5.1
120.97826	1.9
125.05991	7.8
127.03938	21.2
129.10254	3.3
133.10114	2.1
143.14333	13.3
145.03899	3.0
145.04979	38.5
153.05466	7.9
154.96541	11.9
163.06027	4.8
215.05519	4.0
252.17235	2.0
275.81415	1.6
277.21695	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	369.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.1
61.01146	4.3
67.05495	3.2
69.03434	21.1
69.07063	1.3
69.58041	4.2
69.58474	2.8
70.06588	2.6
70.99577	1.3
71.04966	1.1
72.00346	3.6
72.08138	2.3
73.01147	22.4
75.02710	6.8
76.35242	1.1
79.05507	3.0
80.34511	1.0
80.43671	1.0
82.73600	1.1
83.04964	1.3
84.04486	1.1
84.08121	2.5
85.02912	21.3
86.09698	1.4
86.99055	1.7
87.04492	1.3
88.49706	1.1
89.00620	23.6
90.01402	100.0
95.01338	33.9
95.04957	4.8
97.06535	5.0
102.96778	2.1
103.03941	2.4
103.97549	1.4
104.98299	2.4
105.07101	1.3
107.04958	1.3
107.08558	1.3
113.05979	2.1
119.04855	1.3
120.97791	4.4
123.04445	1.3
125.05997	26.5
127.03909	3.2
129.10240	1.4
133.10165	1.4
136.95486	2.3
141.05397	1.4
143.07051	2.0
153.05478	27.7
154.96541	60.1
164.07037	1.3
197.04501	1.6
207.06549	1.8
215.05501	18.9
222.11552	1.9
235.08565	1.1
248.09499	3.5
248.22751	1.1
249.10272	2.8
250.11031	1.9
263.11829	8.2
264.12878	1.5
281.12808	1.4
291.11160	1.4
309.12347	11.2
337.11319	3.2
369.14441	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.5
55.05516	30.9
55.13982	6.6
56.73680	7.5
59.05012	9.2
65.03949	9.2
67.05502	43.1
69.07081	25.2
71.55653	7.7
74.34326	7.4
79.05500	39.0
81.07069	75.3
83.04993	8.1
83.08614	20.2
91.05483	69.6
93.07051	79.1
95.04966	46.2
95.08594	56.9
95.94791	7.1
97.06564	11.0
105.07043	86.7
107.08580	60.4
107.71882	7.7
109.06563	20.3
109.10141	38.4
114.02927	8.1
117.07038	15.7
119.08604	100.0
121.06494	12.0
121.10155	51.8
123.11697	18.0
128.06221	16.2
129.07025	16.9
131.08577	65.2
133.10126	69.0
135.08046	19.5
135.11725	22.1
137.09625	12.4
142.07814	20.4
143.08592	34.2
145.10162	63.2
147.08089	10.8
147.11725	22.4
149.09637	18.6
155.08560	15.8
156.09418	14.6
157.10141	63.2
158.10905	16.0
159.11717	29.1
161.09610	40.0
161.13298	7.4
169.10144	16.7
171.11765	21.9
173.13307	26.7
175.11238	10.9
175.14813	23.2
179.08553	10.0
181.10132	12.9
183.11745	23.0
185.13249	14.0
187.14854	12.3
195.11774	10.3
197.13252	17.6
199.14851	17.4
209.13208	21.5
222.34882	8.0
225.16205	9.2
227.14340	19.7
238.47765	9.0
239.14268	8.4
294.94116	7.1
367.26257	17.8
367.30823	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	368.047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
56.96561	3.1
57.03442	10.0
60.75202	1.5
62.00515	1.4
67.05495	4.3
68.05064	1.4
69.03436	57.7
69.07082	1.7
70.06590	4.2
71.04962	1.5
71.39462	2.5
71.39794	1.4
72.08142	2.6
73.02920	26.4
74.00666	4.7
75.91904	1.3
79.05495	6.2
82.06577	2.8
83.01374	1.7
83.07350	1.6
84.04501	2.9
84.08177	3.1
85.02911	64.5
86.09695	2.4
87.04465	2.2
88.04021	1.6
90.05564	1.9
91.05464	1.5
94.60151	1.4
95.01335	100.0
95.04989	11.4
97.02885	2.7
97.06548	13.6
98.97574	1.4
99.04461	2.3
103.03942	5.5
104.98340	1.5
107.04964	3.4
107.99391	9.5
110.07161	2.3
113.02364	4.2
113.05996	6.5
116.98682	1.5
120.01184	6.4
120.08091	3.9
121.80658	1.5
123.04419	3.0
125.06001	83.4
127.03934	9.8
129.10226	1.8
129.12755	1.4
136.07562	7.5
136.97267	22.9
141.05444	5.2
143.07039	9.9
146.06024	2.3
153.05476	75.5
153.99921	87.0
169.04915	1.4
182.08159	2.1
187.06030	6.0
206.04457	2.0
210.75504	1.4
214.07060	1.7
215.05518	75.8
216.06000	2.6
251.10269	5.5
265.06363	1.4
322.04108	2.4
350.03586	2.9
368.04718	56.3
369.04807	1.9
377.85916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67313	5.3
53.03936	7.8
55.05517	26.9
57.07076	14.1
67.05512	48.1
69.07079	24.0
69.62276	29.4
69.62688	12.5
71.04963	8.5
71.46717	6.1
79.05489	40.3
81.07066	45.0
83.05010	6.1
83.08629	8.2
85.06544	11.3
91.05482	44.9
93.07052	71.2
95.04972	36.9
95.08608	60.7
97.06554	16.8
98.21530	5.1
105.07037	74.5
107.08604	56.7
109.06521	6.2
109.10188	30.9
110.18737	5.0
111.08110	7.1
111.67990	5.2
117.07085	13.1
119.08583	100.0
121.06545	6.4
121.10167	47.5
123.08099	7.3
123.11679	12.7
128.06223	10.9
129.07060	20.1
130.07799	8.4
131.08595	47.3
133.10139	57.7
135.08075	17.2
135.11720	19.6
137.09674	6.3
142.07773	20.8
143.08563	32.8
144.09302	12.2
145.10153	48.3
147.08031	6.7
147.11729	21.6
149.09651	19.2
149.13306	6.4
155.08598	14.8
156.09396	14.3
157.10185	45.3
159.11702	31.0
161.09686	37.6
161.13374	8.2
167.08557	9.0
169.10158	13.7
170.10919	6.3
171.11737	25.8
173.09581	6.2
173.13292	16.8
175.11238	11.8
175.14828	17.8
179.08665	10.1
181.10175	10.6
183.11722	22.4
185.09689	5.7
185.13364	14.7
187.14883	9.6
194.10966	8.2
195.11850	8.1
197.13287	20.1
198.56746	5.8
199.14890	10.5
201.16402	11.4
207.12029	6.0
209.13309	23.0
211.14804	6.7
213.16541	6.8
223.14795	6.4
223.47778	5.3
227.14354	13.3
239.17964	11.0
255.17383	7.2
308.26740	7.2
349.25638	6.3
367.26144	12.0
367.33655	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
54.22421	1.9
55.01871	2.1
55.05513	22.4
57.07062	9.3
59.04987	4.3
65.03937	4.2
67.05166	4.1
67.05508	43.2
69.03423	7.1
69.06776	2.1
69.07077	23.7
69.46210	14.7
71.04996	8.9
71.08621	2.4
79.05499	40.0
80.06271	2.2
81.06596	3.5
81.07063	54.6
83.04991	5.8
83.08621	10.9
85.06551	5.1
89.59912	1.9
91.05482	58.6
92.05801	2.4
93.07050	79.2
93.07632	5.0
94.02118	1.9
95.04971	37.8
95.08611	59.3
97.06542	13.8
97.10129	2.6
98.20810	5.3
103.05489	3.1
105.07036	90.7
107.04962	2.7
107.08599	63.7
108.59011	2.2
109.06516	14.6
109.10160	39.3
111.08076	4.4
115.05463	5.3
116.06262	3.8
117.07025	23.5
119.06128	2.4
119.08585	100.0
121.06516	10.4
121.10159	51.3
123.08058	6.7
123.11675	13.5
125.09495	2.5
128.06242	13.8
129.07010	17.7
130.07806	10.1
131.08574	64.7
132.08995	3.1
133.10133	63.5
135.08055	17.4
135.11707	18.4
137.09660	3.4
139.11212	3.1
141.07036	7.3
142.07809	21.1
143.08571	43.1
144.09445	10.2
145.06537	3.1
145.10130	68.9
146.07266	7.2
147.08069	15.6
147.11696	23.1
149.09657	17.4
149.13243	4.9
153.07004	2.3
155.08582	12.8
156.09355	18.7
157.10136	61.1
158.10878	7.3
159.08095	6.7
159.11697	39.4
160.12218	3.2
161.09645	42.0
161.13269	6.1
163.11174	6.2
166.07768	2.3
167.08577	4.9
168.09311	4.4
169.10150	22.1
170.10910	6.1
171.08017	3.1
171.11696	25.2
173.09616	6.5
173.13257	29.2
174.13855	2.8
175.11215	8.1
175.14844	23.5
177.12778	3.2
179.08562	8.1
180.09325	4.8
181.10172	11.3
182.10907	8.4
183.11710	21.9
184.12427	2.9
185.09673	5.6
185.13266	17.5
187.11235	3.9
187.14845	13.4
189.12793	2.7
191.14381	2.3
193.10202	5.5
194.10889	10.1
195.11703	16.7
196.12451	4.7
197.13277	17.6
199.11098	3.1
199.14827	15.7
201.12747	5.8
201.16391	6.5
203.14281	2.6
207.11760	5.5
208.12424	2.6
209.13206	26.1
210.13820	2.2
211.11127	2.5
211.14745	11.5
213.12752	6.1
213.16360	5.1
214.13237	2.4
215.14377	2.9
217.15739	2.9
221.13226	2.7
223.14902	5.3
224.15479	2.9
225.16406	6.2
227.14331	18.1
235.14766	3.8
237.16345	4.0
239.17982	5.8
241.15942	2.6
247.14865	2.5
251.14058	2.5
251.17949	4.6
255.17413	4.7
256.17880	3.6
257.19083	3.4
261.16406	2.8
265.19543	5.1
269.18997	4.8
275.17896	3.0
283.20505	3.5
290.06085	2.4
293.19012	2.5
331.24152	2.7
349.25278	8.1
367.26303	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26726	2.0
53.03942	3.8
55.01878	10.1
55.05286	2.7
55.05518	22.7
57.03437	18.5
57.07087	2.0
59.05005	30.6
61.01161	3.0
65.03954	3.5
67.05511	62.9
69.03429	2.9
69.07076	31.9
70.06600	7.3
71.04991	5.8
72.08157	4.5
73.01150	2.6
79.05056	4.1
79.05499	45.8
81.03436	4.8
81.07063	100.0
83.04989	7.3
83.08620	15.6
84.04517	3.8
84.08154	5.5
85.02927	1.9
85.06530	5.3
85.91396	2.1
86.09699	3.5
91.05482	38.1
93.07056	40.3
95.04971	10.2
95.08615	43.1
97.06539	12.9
97.10191	6.9
98.20708	4.1
99.04378	1.9
99.08092	4.2
100.11323	2.5
104.98317	5.4
105.07043	38.0
107.04983	8.5
107.08609	30.4
109.06535	11.6
109.10184	20.5
111.08092	5.3
117.07012	11.5
117.09138	4.9
119.08595	33.4
121.06519	6.4
121.10149	17.0
123.08059	8.7
123.11716	9.1
125.09650	4.4
125.76229	2.0
129.07037	4.8
129.10222	2.5
131.08580	15.2
133.06497	2.4
133.10152	26.1
135.08104	5.7
135.11713	12.7
137.05974	3.5
137.09599	4.2
143.08603	3.7
145.06496	2.3
145.10138	17.1
147.11710	20.2
149.09665	10.8
149.13306	6.8
151.11203	2.7
157.10161	5.4
159.11707	14.1
161.09570	2.5
161.13329	6.1
163.11194	8.9
165.12811	6.1
167.07082	2.4
169.10120	3.2
170.15453	2.3
171.11682	3.9
173.13290	8.4
175.11276	5.0
175.14928	3.8
177.12782	3.3
179.14355	2.9
183.11719	3.0
187.11195	3.2
189.11140	2.6
189.16420	2.5
195.13858	3.1
197.13304	2.8
201.19695	2.0
211.14806	2.1
219.17476	1.9
221.19093	2.2
221.58583	1.8
229.14265	2.5
229.19606	3.1
233.19119	2.1
239.17989	5.5
247.20653	4.4
255.20993	2.4
257.19067	8.5
275.20084	58.1
293.21176	4.1
310.93076	2.1
331.22702	2.3
349.23706	14.1
364.34882	2.2
367.11588	25.1
367.20923	2.5
367.24939	33.1
367.33490	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85202	3.9
53.03946	6.5
55.05514	25.5
55.77547	3.9
57.03433	6.2
57.07072	10.9
60.36543	3.6
67.05511	49.6
69.03423	7.7
69.07081	33.5
71.04998	9.9
79.05501	41.4
81.07059	65.9
83.04983	9.7
83.08632	13.0
91.05490	58.8
93.07061	79.1
95.04984	44.4
95.08614	62.5
97.06538	13.2
105.07041	85.1
106.08427	4.0
107.04967	4.7
107.08616	64.2
109.06507	15.5
109.10167	45.0
112.33044	4.0
115.05538	5.2
116.06243	5.0
117.07063	22.0
119.08598	100.0
120.45364	4.1
121.06508	9.3
121.10169	47.8
123.08031	7.5
123.11714	12.3
128.06250	7.1
129.07030	14.2
130.07768	7.6
131.08568	53.9
133.10147	57.3
135.08070	19.7
135.11703	23.0
137.09599	8.8
141.06979	8.3
142.07831	20.2
143.08560	37.4
144.09319	7.8
145.10159	59.8
146.07257	5.7
147.08067	7.3
147.11685	18.4
149.09647	19.1
149.13295	5.3
155.08612	9.7
156.09364	12.6
157.10181	45.8
158.10924	5.5
159.08006	4.8
159.10527	5.2
159.11690	34.9
161.09650	43.9
161.13287	11.4
163.11229	8.6
163.29570	3.8
167.08582	6.8
168.09357	8.6
169.10112	19.2
170.10921	9.5
171.11696	35.8
173.09653	5.4
173.13289	25.7
175.11183	9.7
175.14830	15.2
179.08624	13.7
181.10190	8.8
182.10951	7.6
183.11723	24.5
184.12354	5.0
185.09621	6.5
185.13293	15.0
187.14836	10.5
193.10059	5.1
194.10884	7.4
195.11711	17.8
197.13223	20.8
199.14885	8.8
201.16493	6.3
207.11696	6.6
209.13277	23.2
210.14024	6.3
211.14890	6.0
213.12865	5.7
213.16685	4.7
215.14203	5.1
221.13312	4.2
227.14330	15.6
239.17975	7.9
257.19177	6.9
265.19666	4.3
269.18857	5.2
308.26709	7.1
331.23956	4.6
349.25412	9.1
367.26208	13.1
367.34164	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	367.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95452	1.5
55.01881	1.6
56.05029	3.2
56.96557	5.5
57.03430	2.9
60.04526	4.8
67.05503	1.5
69.03440	12.8
69.07061	2.2
69.81887	7.2
70.06599	23.2
72.08141	6.7
72.08500	1.5
73.02905	4.6
74.06080	2.1
81.03404	2.0
84.04512	4.3
84.08157	16.2
85.02915	18.3
86.09724	7.3
87.05575	4.5
88.03989	2.2
91.05463	3.2
95.01347	10.9
97.02892	3.8
97.06553	1.7
98.97592	4.6
102.05566	1.9
103.03976	2.7
110.07175	3.6
112.08690	1.6
114.05489	1.5
115.05469	1.7
116.98654	2.0
118.06567	14.1
120.08115	20.0
125.05983	9.3
127.03931	4.1
127.08665	5.5
129.10236	6.3
130.06584	7.6
132.08086	6.3
132.95860	1.7
133.06099	5.8
136.07582	5.0
142.06531	1.8
143.07274	4.3
144.08099	20.7
146.06029	51.7
153.05458	10.5
153.99910	5.5
155.08125	4.1
156.08095	8.8
158.06000	1.9
159.09187	2.1
160.07588	4.2
162.09097	2.9
167.07043	4.9
168.08162	3.2
170.06001	6.5
172.07576	2.8
175.08670	2.3
184.07588	4.0
188.07086	100.0
189.07393	2.0
192.07883	3.4
196.06758	2.1
202.08664	5.0
205.07945	2.7
205.09761	35.7
206.04427	2.2
207.11246	9.4
213.12375	3.4
215.05510	6.9
217.09647	3.1
229.09804	3.5
230.06061	2.9
230.08131	27.9
234.12363	4.4
234.99011	4.0
247.10803	10.7
331.12881	3.3
332.11313	4.2
349.14120	2.9
350.12354	13.8
367.10580	3.0
367.15063	3.6
368.04776	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	367.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.1
57.55359	0.1
69.09111	0.1
70.39532	0.3
70.39901	0.3
75.56509	0.1
77.61790	0.1
85.52450	0.1
89.89552	0.2
98.97617	0.4
101.00884	1.2
116.98637	0.3
119.01933	7.5
120.02026	0.3
134.99893	0.7
137.02963	2.9
140.98885	0.2
142.03513	0.2
153.00932	0.6
158.99863	0.9
165.99695	0.2
175.03055	0.3
177.00969	19.2
178.01082	0.7
179.01154	0.1
182.99925	0.3
191.02490	0.2
193.04106	0.2
195.02016	0.5
199.03075	0.1
200.02638	0.3
201.00963	1.1
217.04097	3.3
217.99210	0.2
219.02023	25.6
220.02132	1.4
221.02176	0.3
224.00053	0.1
225.00850	2.1
227.99489	0.2
233.03642	0.3
235.00035	0.7
236.00116	0.6
236.99858	0.3
240.98985	0.2
242.03697	0.5
243.02011	7.2
244.02170	0.3
254.01036	0.2
258.99988	1.2
260.00122	1.6
260.04593	0.3
261.03076	100.0
262.03232	5.6
263.03262	0.8
266.03641	0.3
274.98380	0.2
275.04681	1.6
277.01041	0.9
278.01108	1.7
279.00839	0.9
283.00006	1.7
284.00104	3.6
284.04666	3.5
284.99838	1.1
285.04941	0.2
301.01050	3.2
301.06317	0.2
302.01202	5.9
303.00888	1.8
304.01184	0.3
316.99014	0.2
319.02402	0.2
320.02231	0.4
325.01202	0.2
326.01370	0.4
343.02008	0.4
344.02277	2.6
345.01816	0.6
345.50183	0.2
360.99692	0.2
361.27832	0.2
362.03143	0.6
363.51062	0.4
364.01117	0.3
364.51141	0.3
367.01846	0.7
372.51743	0.3
373.01740	0.2
373.51682	0.2
385.03204	5.6
386.03473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
54.55819	0.4
55.05506	2.0
56.05033	1.6
57.05812	0.8
58.06595	0.8
60.04508	1.3
62.06086	0.9
67.05518	0.5
69.03429	1.2
69.07068	9.2
70.02974	0.7
70.06599	7.6
70.36853	0.5
71.04996	0.7
72.08157	18.0
74.06080	1.1
75.63490	0.4
81.03413	0.6
82.06572	0.6
83.06113	0.6
84.04508	4.4
84.08146	10.4
84.61954	0.4
85.02909	1.9
85.08451	0.6
86.09708	100.0
86.61779	0.4
87.10040	1.2
88.03995	1.3
88.07549	0.4
91.05491	2.4
93.07057	0.6
95.04955	0.9
95.06076	1.2
95.08663	0.5
96.27866	0.5
97.02850	0.7
98.06065	0.5
100.07684	0.5
101.07180	0.8
102.05563	1.8
103.05454	1.7
104.98357	1.0
109.02862	0.7
110.07179	4.7
112.08723	1.1
114.10322	0.5
116.03400	0.6
116.07088	1.1
119.04933	2.9
120.08106	33.4
121.08450	1.0
123.04428	2.9
124.72731	0.4
127.03959	0.6
128.07126	0.5
129.10249	7.4
130.05013	1.1
130.06529	6.2
130.08691	0.6
132.04440	1.1
136.06262	1.4
136.07591	17.2
136.08624	0.8
137.08000	0.5
143.46118	0.5
144.08046	0.7
145.02893	0.5
147.04437	2.0
148.07603	1.5
156.07707	0.7
157.13373	21.5
158.06047	1.9
165.05495	8.4
166.08643	1.2
166.97025	0.5
173.09187	0.8
176.07086	6.4
177.05457	0.6
180.06607	0.7
182.08134	17.4
185.12871	20.3
186.05540	0.5
186.14923	1.3
190.10915	1.3
196.10864	0.7
204.15964	0.7
219.14955	8.5
222.07614	2.4
223.15581	0.8
229.03291	0.6
229.08965	0.8
234.13499	1.4
247.14491	2.6
251.15085	1.5
253.11855	12.1
270.68839	0.5
303.04993	2.6
348.19373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2027
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
58.23376	0.7
60.04529	19.8
62.19004	0.5
70.02963	1.1
70.06581	2.1
71.00349	1.1
72.04501	1.2
72.08159	0.7
73.01130	0.6
84.04491	0.5
84.08144	1.9
86.09712	64.7
87.05598	16.5
87.10034	0.8
87.41843	0.5
91.05469	0.5
93.07047	0.6
97.02868	0.7
103.05476	1.6
105.07005	0.6
110.07164	1.1
110.09668	0.7
112.11282	0.6
120.08117	31.1
128.10730	8.4
130.06479	0.6
131.04950	0.9
132.10191	0.8
144.08064	1.4
159.09239	0.5
162.09200	1.1
166.08655	12.3
173.12875	100.0
174.13167	0.8
191.08212	0.9
201.12361	22.4
207.11295	8.7
235.10762	1.7
257.87024	0.5
279.17010	1.8
292.19110	0.6
306.14651	0.9
317.42813	0.5
366.03061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.7
56.05036	18.1
57.03436	1.4
57.05812	1.6
58.06609	6.6
60.04520	5.5
68.04998	1.3
69.03430	3.0
69.07063	1.8
70.06243	2.0
70.06599	23.5
71.06911	1.5
71.12780	2.1
72.08158	100.0
73.01146	1.5
73.04049	2.3
73.40255	1.2
74.06083	47.5
79.05497	2.4
81.07056	3.2
83.06128	1.5
83.23880	1.1
84.04508	15.5
84.08144	21.2
85.02917	2.3
85.06577	1.9
86.06084	2.0
86.09706	32.4
88.03999	2.1
91.05493	8.1
93.07047	2.7
96.08173	1.4
97.02979	1.1
97.06548	1.3
99.04459	1.2
101.07145	20.6
102.05538	3.8
103.05490	3.1
104.98306	1.2
105.07024	2.0
107.05009	1.1
109.10178	1.2
110.07198	7.7
110.09669	3.9
111.09205	2.2
112.07571	1.5
112.08723	1.6
116.07085	2.5
119.04951	5.5
120.08109	65.9
121.08526	1.5
123.11745	1.6
127.08669	1.8
128.10709	22.6
129.10254	18.1
130.05040	1.7
130.06531	5.4
132.10225	2.5
136.07584	67.8
138.09174	2.9
155.11833	2.8
156.07683	2.1
157.07701	1.5
157.09799	1.3
158.09648	3.8
166.08672	17.5
169.12212	3.9
173.12871	93.2
174.13132	1.5
176.10718	4.3
177.10210	1.5
201.12361	37.6
203.11766	1.4
207.11299	25.9
221.12889	23.7
233.16498	3.9
235.10719	5.7
249.12349	4.9
261.16037	1.3
265.15454	2.5
267.13412	13.6
277.11731	1.9
295.16534	3.6
329.87564	1.3
366.28314	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2027
Annotation	Leu Ser Phe
Peak:m/z	Relative Intensity
56.05025	0.6
57.05809	1.1
60.04533	14.1
61.04857	0.5
64.16417	0.5
69.07072	11.1
70.06605	2.9
70.14953	1.8
72.08156	2.4
73.01175	0.6
76.08682	0.5
83.06105	0.5
84.04533	0.9
84.08148	2.3
86.09713	100.0
87.05606	0.6
87.10058	0.7
88.03997	0.5
91.05462	0.7
98.20895	0.7
103.05492	1.4
110.07195	0.8
116.05380	0.6
120.08116	35.3
121.65192	0.5
125.10764	1.0
127.88726	0.5
128.10707	1.1
129.10265	1.0
132.08054	0.6
144.08148	1.0
149.05983	0.6
155.11778	1.0
162.09186	0.5
166.08653	26.0
172.07585	0.7
173.12878	17.6
174.13264	0.6
176.07011	0.5
183.11438	0.6
189.10213	0.7
201.12352	20.6
207.11324	4.4
235.10982	1.6
253.11859	29.4
254.12271	0.5
335.08496	0.5
344.27045	0.5
366.20502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	3.7
60.04517	2.0
69.02162	1.0
69.03433	1.3
69.07076	5.7
70.06599	13.1
71.54768	1.1
72.04530	0.9
72.08172	8.8
74.06084	2.5
80.74055	0.9
83.06081	1.6
84.04514	12.0
84.07685	1.4
84.08149	15.9
85.02898	1.9
86.09715	75.5
87.09998	1.2
90.05551	2.7
91.05489	14.4
95.06084	1.4
97.02912	0.9
98.06054	0.9
102.05576	6.1
103.32709	0.8
104.05335	1.4
110.07169	8.8
116.07073	1.4
118.06506	1.0
119.04958	10.1
120.08117	22.3
121.08455	1.7
129.10278	8.0
130.05003	1.1
130.06549	2.0
130.08607	1.3
136.07591	100.0
137.07922	1.3
140.07144	0.9
147.04427	1.1
148.15334	1.0
153.05304	0.9
154.09885	0.9
154.21803	0.9
155.08205	1.4
166.08655	3.5
167.08907	0.9
169.12238	0.9
173.09261	2.6
178.05898	1.2
178.13419	1.1
182.08025	1.0
185.09857	1.4
185.12961	0.9
186.09077	2.4
187.10818	3.5
201.08760	1.6
203.13951	3.4
204.13823	1.2
223.15524	2.7
231.11296	4.0
249.12186	2.5
249.16006	51.0
250.16411	1.6
251.15080	3.3
253.11964	0.9
277.11545	0.9
277.15533	6.3
330.15607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05518	1.8
57.03417	0.3
57.07083	3.7
58.49865	0.3
65.03913	0.4
67.05508	2.6
68.05833	0.5
69.07069	2.1
70.07391	0.4
71.08625	0.7
71.40051	0.6
79.05500	2.1
80.05821	0.4
81.07069	3.3
81.27806	0.3
83.04972	0.7
83.08621	0.8
85.06555	1.1
85.10170	0.4
91.05488	1.7
93.07052	2.4
94.07376	0.3
95.04974	0.8
95.08606	3.2
97.06524	0.4
98.98458	1.1
100.34944	0.3
105.07026	1.2
106.05053	0.4
107.08595	1.7
109.06529	1.7
109.10155	0.9
111.08052	0.3
113.04220	0.5
117.07057	0.3
119.08615	1.2
121.10157	0.8
123.08060	3.3
124.08852	1.6
131.08565	0.6
133.10126	0.9
135.08089	1.2
135.11731	0.4
137.06032	0.5
137.09671	0.6
139.07533	0.3
143.08554	0.6
144.09279	0.4
145.10080	0.8
147.11702	0.5
149.13318	0.4
151.07565	4.0
152.08353	6.0
155.01054	2.1
155.08557	0.4
157.10143	0.8
159.11719	0.8
165.09123	8.1
166.09857	0.6
169.10069	0.4
171.11700	0.5
179.10695	1.9
179.14247	0.4
181.12405	0.4
183.11707	0.4
185.13292	0.7
187.14832	0.3
194.11266	0.4
194.13025	3.4
195.11678	0.3
197.13272	0.5
207.11977	0.5
207.13867	1.7
208.12439	0.3
209.13220	0.5
211.20685	0.5
221.15402	0.4
222.14001	0.3
235.16916	0.8
249.18582	1.2
263.20160	2.5
306.25027	2.3
307.26297	0.4
319.26321	1.1
347.25864	14.7
348.26141	0.6
365.26917	100.0
366.27255	3.8
366.33362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.05499	3.6
56.56816	0.9
57.07076	6.4
66.07231	1.0
67.05501	5.5
68.86129	0.8
69.07064	5.1
70.84193	1.6
70.84513	1.0
72.38416	0.9
74.18408	0.9
79.05471	3.8
81.07045	6.3
82.07401	1.3
83.08606	1.8
85.06557	2.0
87.51503	1.1
91.05492	2.4
93.07038	6.1
95.08611	4.6
105.06994	2.2
105.35117	0.9
107.04984	1.0
107.08596	4.7
108.08983	0.9
109.06522	2.8
109.10157	2.9
111.04457	1.1
113.04230	1.2
119.08616	2.2
121.10143	2.0
123.08058	5.8
123.11836	0.8
125.05991	1.2
135.08090	2.3
135.11726	1.3
137.05997	1.3
145.38110	1.0
147.11696	1.1
149.84363	1.0
151.07576	3.0
152.08347	3.4
161.09647	1.2
161.87817	0.8
165.09120	13.7
165.12752	1.3
177.09290	1.1
179.10692	2.6
195.13882	1.5
208.14658	2.1
221.15251	1.3
221.85818	1.0
249.18863	1.1
263.20193	2.8
302.39893	1.0
305.24817	4.8
306.25107	4.3
319.26184	5.1
347.25824	51.8
348.26089	1.8
365.26917	100.0
365.32129	6.2
366.27185	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	364.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.7
55.05502	5.1
56.05042	3.4
58.06606	15.4
58.99590	32.8
60.04534	3.2
60.98808	1.5
61.01157	20.8
62.19659	1.3
64.02863	1.4
65.03935	2.0
67.05511	2.6
69.07067	2.5
69.43947	8.3
69.44367	3.0
70.06601	18.9
70.99573	1.8
72.00372	1.3
72.08164	18.5
73.01149	14.1
74.00657	7.6
74.06054	1.6
76.02233	65.7
76.04014	5.4
81.07062	1.8
82.06567	2.5
84.04514	12.8
84.08154	18.1
86.09711	15.3
86.99068	11.6
88.02221	5.2
90.96783	2.7
91.05450	1.4
99.02695	29.4
100.03465	1.8
101.04288	2.9
104.98325	52.7
106.99877	1.6
110.07165	5.2
112.03978	10.2
113.04220	1.8
116.01692	54.1
116.05328	61.2
116.07081	19.5
120.08118	25.2
121.08459	3.3
124.61124	1.5
129.10262	5.8
130.04962	3.5
130.99797	1.5
136.07652	2.2
144.01155	25.2
148.07594	1.6
156.10292	1.8
162.02222	100.0
164.98636	12.0
173.12839	1.9
179.04871	78.3
183.14995	2.0
202.05370	20.5
203.05180	1.5
203.08093	1.6
214.73373	1.4
217.09775	2.6
219.07997	62.5
219.10121	3.0
219.15024	5.3
220.15190	2.2
245.09238	6.1
251.05125	1.5
261.96960	5.8
262.72964	1.3
263.10318	3.4
284.03220	2.0
285.03876	4.1
287.10635	2.0
303.20291	1.7
305.11353	10.7
305.32327	1.4
323.12500	4.1
333.11020	2.1
347.20941	2.5
351.99792	1.3
364.99524	2.4
365.13705	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68785	0.9
53.22027	0.9
54.23028	0.9
56.72069	0.9
56.96560	1.0
58.42019	0.9
88.04555	0.8
101.00919	2.4
119.01929	5.3
131.01935	3.6
143.01959	3.4
145.03520	2.7
150.91959	1.5
155.01961	2.4
157.03500	1.9
161.03050	3.6
167.01898	1.4
173.02994	5.0
181.00381	1.0
185.02956	4.8
185.04329	21.9
197.02985	1.3
203.05305	49.9
212.85211	1.2
215.04184	1.7
227.04019	1.1
245.05093	12.5
245.07367	0.9
248.44165	1.2
263.06274	2.2
365.10760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.7
55.01845	6.3
55.05511	14.0
57.03439	7.8
57.07067	10.6
60.04533	14.3
67.05521	39.8
69.03431	11.3
69.07066	19.6
69.99413	15.3
69.99807	11.3
71.04948	6.4
79.05491	30.8
81.07078	29.8
82.35003	5.9
83.08636	9.7
85.06565	11.9
91.05490	39.1
93.07061	41.9
95.04974	56.8
95.08633	32.4
96.29347	5.3
97.10120	6.5
98.20832	7.4
105.07037	70.0
106.05016	23.5
107.08574	32.2
109.06538	13.0
109.10164	23.8
113.04256	7.2
115.05460	6.6
117.07040	17.3
119.08590	44.8
121.06537	7.5
121.10165	26.3
128.06177	9.1
129.06969	14.6
131.08575	22.6
133.10129	24.1
135.08118	14.3
141.06992	7.6
142.07799	11.8
143.08563	26.0
144.09348	8.9
145.10124	33.2
147.08069	16.5
147.11702	7.6
155.08495	12.5
156.09297	9.7
157.10118	41.7
159.11719	19.7
161.09616	8.5
166.07826	8.4
167.08554	7.3
168.09346	7.3
169.10106	28.4
170.10936	12.0
171.11702	20.4
173.09726	10.9
173.13232	23.0
179.08598	18.6
181.10103	18.9
182.10925	11.2
183.11728	31.8
185.09691	8.6
185.13286	14.5
187.11194	9.3
192.09326	13.1
193.10176	21.0
194.10962	8.4
195.11699	27.1
196.12491	11.5
197.13243	22.2
199.14670	8.6
203.05157	7.5
206.10965	13.3
207.11676	31.2
208.12297	7.8
209.09642	7.1
209.13260	30.9
211.14827	13.6
219.11609	9.1
221.13333	17.3
222.14014	8.2
223.14787	19.5
225.12825	7.6
227.14290	6.9
233.13338	8.9
235.14949	8.0
246.13983	8.1
247.14835	13.1
248.15610	7.8
249.16499	14.6
251.17862	7.2
258.14215	7.8
263.17978	12.2
265.16113	6.9
267.17529	11.2
277.19415	7.6
281.18887	10.0
291.17422	8.8
347.23477	45.4
365.10361	7.6
365.24734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
58.99582	7.3
60.25391	1.0
61.01150	17.1
67.05508	3.5
69.07081	3.8
70.61862	3.0
70.62185	1.3
70.99585	2.3
72.00415	1.5
73.01143	31.5
74.01938	3.4
76.43413	1.2
79.05487	3.8
81.07058	6.6
82.07829	2.6
83.08607	4.0
85.01134	1.6
87.02692	5.2
97.79676	1.2
99.02705	2.4
101.04253	4.1
102.96756	4.7
103.97527	6.8
104.98318	100.0
106.99895	2.2
112.03457	2.0
113.04237	37.2
114.05025	3.6
115.05805	15.4
116.68579	1.3
116.98296	1.4
117.79261	1.4
118.99881	1.8
135.94691	1.3
136.95490	40.4
137.00900	3.4
145.01424	13.4
146.02191	8.3
147.02969	56.4
147.21837	1.2
168.92708	35.9
176.98505	1.4
179.00166	5.5
203.05280	1.5
210.97404	17.6
215.01495	1.3
221.90805	1.2
226.96886	13.5
242.94664	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	364.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.5
55.01869	5.0
55.05504	5.2
57.03447	12.4
57.07059	1.7
58.10984	2.2
58.99594	13.0
59.42299	1.8
61.01163	13.0
63.14040	2.0
67.05513	15.6
69.07069	8.2
69.21471	18.5
70.06602	5.3
71.04962	2.6
73.01147	59.2
74.01900	2.5
79.05502	15.0
81.07062	17.4
82.07837	4.5
83.08617	6.4
84.08138	2.2
85.01102	2.8
85.06548	6.6
87.02694	5.6
91.02180	5.9
91.05494	8.6
93.07068	9.6
95.04968	15.1
95.08604	4.7
97.06544	3.1
98.21578	2.4
99.02685	2.9
101.04217	4.4
102.96766	7.1
103.97541	12.7
104.98325	100.0
105.07030	7.2
107.04942	3.3
107.08612	6.3
109.06543	12.8
110.28751	2.1
111.02661	3.1
111.99581	3.3
112.03453	6.8
113.04247	50.5
113.05991	19.9
114.05000	3.7
115.05795	18.0
116.98347	5.4
117.07059	3.0
118.99851	2.2
119.08585	2.4
121.06544	2.6
121.10181	2.9
129.06914	2.1
131.08563	5.5
133.10085	4.0
135.08055	13.5
136.95494	76.7
137.00919	7.1
139.19211	2.0
145.01416	21.3
145.10155	3.6
146.02246	10.6
147.02979	57.4
147.08099	1.9
147.11600	2.4
149.09605	2.0
157.10205	2.1
168.92719	29.2
168.98343	2.2
179.00174	7.1
201.00124	4.7
201.67979	1.9
203.05185	2.6
210.97415	20.8
217.15851	3.0
226.96909	42.9
242.94643	5.1
261.41818	1.9
268.13638	2.0
273.18469	7.6
291.19543	12.8
300.98792	3.2
365.10422	6.1
365.19073	2.6
365.23129	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
55.05515	5.7
56.05030	1.8
58.06600	24.7
58.99581	11.8
60.04521	4.2
61.01158	19.4
67.05501	2.3
69.07051	3.9
69.34068	11.6
70.06599	7.4
70.99581	2.2
72.08171	2.6
73.01144	22.7
73.02924	5.5
74.00659	6.7
74.02437	5.3
74.56532	1.2
75.02695	1.7
76.02242	5.8
79.05502	1.6
81.05799	1.8
81.07043	1.9
83.08620	5.5
84.04525	2.4
84.08145	4.0
84.10284	1.4
85.01117	2.1
86.09709	8.7
86.99054	4.4
87.02660	1.2
87.05580	1.3
88.02218	1.6
88.03988	2.1
91.05427	1.4
96.92409	23.9
98.21455	1.8
99.02696	13.2
101.04239	1.8
102.00095	2.8
102.98516	1.6
104.98323	99.8
106.99876	1.8
110.07207	1.3
113.04248	10.0
114.03756	9.1
114.04952	1.3
115.05805	4.2
116.05326	11.9
116.98316	4.9
118.99891	11.4
120.01155	11.1
120.08110	2.5
122.02755	3.1
126.03761	1.6
127.02145	3.9
129.10237	1.7
130.99867	3.0
132.01199	1.5
134.95775	1.4
138.97052	23.6
142.03215	5.3
143.08153	1.3
143.11707	1.3
145.01421	2.7
145.03198	36.0
146.11797	1.2
151.98344	3.7
160.04265	15.7
162.05852	100.0
164.98637	2.7
179.00165	7.2
192.01538	2.9
194.03079	13.2
202.08969	6.1
208.97606	15.1
226.00266	32.3
227.01100	2.0
292.87802	1.2
300.02148	14.8
346.25778	1.1
364.26840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01869	3.6
55.05502	8.2
56.04787	2.5
56.05042	40.4
56.40162	2.1
56.96293	3.0
56.96569	51.8
57.03436	10.6
57.07064	7.9
58.06591	2.5
60.04535	11.4
61.01154	34.2
61.02924	5.8
68.05022	2.4
69.03432	17.9
69.07047	3.5
70.03757	2.6
70.06593	24.1
71.04990	3.0
71.95261	2.8
72.07748	4.7
72.08158	97.9
73.02911	7.3
74.02448	6.6
74.06089	18.1
81.03410	9.7
82.06580	3.1
83.06097	2.4
84.04511	16.0
84.08151	35.6
84.96037	6.6
85.02911	38.6
86.03236	5.7
86.09722	28.8
87.04466	4.4
87.05585	17.2
87.10049	4.2
88.03988	5.5
97.02918	16.9
98.06031	2.8
98.97590	100.0
101.00892	4.2
102.05567	2.9
103.02371	2.2
103.45448	2.3
104.05337	55.8
104.07093	3.1
106.01273	2.4
109.02901	3.1
110.07181	5.9
110.09679	26.8
110.97567	12.1
112.08726	2.3
113.00846	2.6
116.03505	3.8
116.07084	4.8
116.98621	49.9
119.01910	12.6
119.04968	3.0
120.08039	3.3
121.01731	3.5
125.07101	2.6
126.05441	2.7
127.03912	8.6
128.04262	2.7
128.98624	20.4
129.10228	19.1
130.05003	6.7
130.08635	2.6
130.93292	2.9
131.00174	3.2
131.01904	8.3
133.01759	2.5
133.03467	4.6
133.06094	54.2
134.99667	21.9
136.06201	5.3
136.07587	5.1
140.98727	3.2
141.10280	2.4
142.01797	2.4
143.00194	5.9
143.01917	9.3
144.98088	2.9
145.03540	5.2
145.04974	6.1
146.97908	3.9
146.99699	11.7
147.05130	4.8
149.01277	3.2
152.02254	2.3
153.00769	2.7
155.01884	6.9
155.02989	3.6
155.11804	62.1
155.13014	4.8
157.01703	3.8
157.03441	5.5
158.10042	25.1
158.99646	28.2
161.01244	10.3
161.02962	9.9
164.98972	4.9
165.00661	2.5
165.05995	2.4
167.00507	2.5
167.01973	2.6
169.09735	2.4
170.99670	8.5
171.05022	5.3
173.01305	4.4
173.02951	9.2
173.06590	4.0
173.09265	2.8
175.02835	5.3
175.04527	7.4
177.00746	38.3
178.00957	2.8
182.03348	3.9
182.53577	4.3
182.99756	5.2
185.01338	2.8
185.02985	4.2
185.06548	4.2
189.00699	10.5
189.12367	3.0
191.02214	8.4
191.03915	8.4
191.05910	5.1
191.54080	10.6
192.04128	4.2
200.02631	2.5
200.04359	10.8
200.54587	9.8
201.00742	15.4
201.02328	2.4
201.04465	6.1
203.04024	7.0
203.10248	5.1
203.12144	95.6
207.00000	4.8
207.01730	3.2
209.01521	3.0
209.05138	2.4
215.05951	8.5
217.07466	2.4
218.98424	3.8
219.01768	37.1
219.03650	3.8
219.13438	2.3
220.02260	5.3
221.05133	9.2
231.01822	3.0
231.11632	31.9
232.12840	2.8
233.06972	3.6
237.02818	28.6
238.03362	3.5
243.01720	4.6
245.05208	4.7
245.20642	2.5
253.00536	5.4
257.06992	6.5
261.02655	11.4
262.03268	5.3
263.06143	4.4
263.56229	7.0
264.06204	4.0
264.10123	10.8
269.03296	3.0
272.56705	5.9
273.08401	13.8
275.09766	2.6
279.03870	10.6
293.10898	6.9
299.04437	3.7
303.03925	4.1
303.07294	4.1
303.13382	10.5
309.08548	5.1
317.05533	4.8
317.09122	4.2
317.13797	3.8
321.08627	2.7
325.94611	2.4
335.10199	7.4
345.04919	12.9
345.08600	2.7
363.05969	10.4
363.10056	9.1
363.19534	5.0
381.10623	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	363.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72910	3.0
55.01845	4.8
55.05495	9.0
56.05033	7.9
58.99593	34.8
60.04516	6.8
60.20811	2.8
61.01154	35.3
64.00691	2.9
67.05511	19.4
69.03424	5.2
69.07071	45.4
70.06604	34.9
70.99571	6.0
71.04989	3.0
71.54841	4.3
72.08149	17.7
73.01145	25.5
74.06045	3.8
78.96787	4.1
79.05488	14.1
81.03419	4.7
81.07034	4.6
83.04989	5.1
84.04502	7.2
84.08148	28.3
85.01131	3.7
85.02913	5.6
85.06538	4.2
86.09711	42.0
87.10070	3.0
88.03990	3.2
91.02171	3.4
91.05472	7.5
93.07063	6.4
95.04958	6.3
95.08620	5.6
96.05776	6.7
97.06539	23.0
99.02682	12.4
100.11260	10.2
100.35325	3.2
101.04250	37.3
102.96774	3.2
103.97549	4.7
104.98327	86.2
105.07037	4.0
108.97823	4.4
109.02797	4.1
109.10120	4.1
110.07194	5.9
111.02652	11.9
112.03436	9.2
113.04237	58.4
115.02155	6.2
118.99854	3.6
119.08592	3.9
120.08096	21.1
121.10186	3.6
127.02098	6.4
128.89441	3.1
129.03712	100.0
129.10223	13.5
130.04495	12.2
131.05270	17.0
131.08592	3.7
133.01398	8.8
133.10114	5.6
136.95444	3.4
142.99849	17.8
143.11792	9.3
145.01387	6.7
145.06548	3.0
145.10118	6.0
155.06967	4.5
157.06606	3.8
161.00902	27.8
182.15289	4.3
201.12614	4.9
234.99152	3.5
235.02733	5.1
249.07246	3.3
257.07712	4.4
276.72760	3.4
277.22968	4.1
289.04807	3.7
363.18210	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	363.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11307	1.5
52.63317	1.7
55.01863	3.2
55.05494	4.2
56.05059	1.9
57.03420	2.2
57.50016	1.8
58.06585	2.2
58.99590	32.8
60.04523	3.4
61.01157	36.2
65.03963	2.2
67.05508	14.6
69.03427	2.4
69.06728	2.3
69.07075	42.5
70.06601	15.3
70.99561	5.3
71.26098	2.0
71.26433	3.0
72.08147	5.2
73.01147	20.9
79.05482	7.1
81.07046	3.5
84.04494	3.4
84.08150	8.6
85.06513	3.3
86.09695	13.2
88.04019	1.9
91.02173	5.0
91.05448	2.0
93.07041	2.0
95.04958	6.0
95.08601	3.2
96.05774	8.8
97.06535	33.4
99.02658	11.6
101.04253	34.2
102.96725	2.5
103.05445	2.1
103.97543	6.2
104.97613	3.9
104.98325	77.7
105.07031	4.3
107.08587	2.6
108.97824	2.3
109.06501	2.0
109.10178	4.0
110.07146	3.7
110.93960	2.5
111.02686	18.9
111.04421	2.4
112.03450	7.5
113.04237	59.7
113.39136	1.7
115.02175	5.5
115.03782	2.3
116.07140	1.8
120.08112	5.0
129.03712	100.0
129.10243	4.9
130.04462	16.4
131.05276	16.1
132.28133	2.3
133.01431	7.9
136.95454	3.4
137.05974	2.9
139.11168	2.7
142.99875	15.9
144.00644	2.5
145.01395	4.8
153.97504	2.2
161.00926	31.8
161.06042	3.8
191.28931	1.6
201.04010	2.9
203.05475	2.0
207.99147	1.9
235.02730	4.2
235.90570	2.2
299.02582	5.0
363.19272	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	362.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.1
56.05040	1.7
58.99588	7.8
60.04522	3.6
61.01156	20.2
67.05487	2.4
67.49046	1.5
68.05048	2.0
68.93005	1.7
69.07056	4.7
70.06599	9.9
70.99578	3.5
72.08159	18.5
73.01143	69.2
74.00658	5.6
74.06090	4.6
79.05482	2.8
79.79169	1.5
81.07043	2.2
82.06580	16.2
83.08616	27.7
83.88091	1.6
84.04496	6.0
84.08143	12.3
85.01068	1.3
85.02905	6.4
86.09707	23.2
87.02695	12.3
87.10034	3.4
88.03986	4.6
90.00150	1.9
91.05473	2.6
97.02876	2.5
98.21590	3.0
99.02670	2.5
99.32092	1.4
101.04243	19.2
101.07158	2.9
102.05555	2.8
104.98322	100.0
106.99867	3.6
109.10180	2.8
110.07180	7.0
113.04197	8.2
114.03762	10.3
116.05291	3.9
117.99597	6.2
119.08582	1.9
120.08101	3.8
122.02714	2.9
128.07086	27.7
129.10242	7.1
129.70055	1.4
131.08559	1.7
137.01057	1.7
137.05957	1.8
145.02872	2.4
147.02977	84.3
147.08099	2.0
158.34090	1.7
160.04288	68.1
165.09125	67.2
165.10513	3.7
177.05446	2.6
177.09090	2.9
183.10278	2.0
187.14455	11.7
189.09282	1.6
211.63016	1.6
215.13956	3.5
216.73134	1.6
224.04068	7.0
234.06187	56.5
298.05923	11.6
362.25293	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	361.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.3
58.53517	5.0
58.99582	15.5
61.01150	21.1
69.07088	9.8
70.06607	7.3
70.74196	11.7
73.01151	95.7
75.00726	7.4
79.05532	7.9
81.07053	10.4
84.08109	8.1
89.64397	5.3
91.02198	22.9
91.05489	7.4
96.92415	15.5
97.06498	8.6
99.02691	5.9
102.96733	8.2
103.97523	35.9
104.98322	100.0
105.99086	10.1
107.08549	6.4
112.03480	7.4
113.04250	22.4
115.05779	11.1
116.98303	7.7
118.99862	10.3
131.05205	9.3
136.95477	55.9
138.95065	15.2
138.97055	70.9
145.01414	12.0
194.08186	5.7
194.99695	12.6
197.01248	54.2
228.99268	5.8
256.45029	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	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24525	2.1
55.06185	2.1
56.05038	6.0
56.96292	5.0
56.96569	82.5
60.04532	2.9
69.03422	3.9
69.07101	3.9
70.06602	18.6
71.04224	5.7
71.04592	2.9
71.95265	4.8
72.08160	43.2
72.96054	5.4
73.01115	2.3
73.21087	2.3
74.06089	11.4
74.24387	2.5
74.97608	4.4
81.03397	3.6
83.06094	6.7
84.04509	14.7
84.08147	58.4
84.96023	8.6
85.02905	7.3
86.09714	49.3
87.02715	2.9
87.05609	5.5
87.10035	3.9
88.03993	6.3
97.02894	5.5
98.97590	96.0
99.21230	2.7
101.00838	2.4
101.07137	5.2
108.13795	2.1
110.07197	4.6
110.97588	4.2
115.08611	3.0
116.07133	3.3
116.98624	61.4
119.01898	10.4
126.02306	4.0
128.98604	8.0
129.10254	44.4
130.04967	9.0
130.08624	5.0
130.93297	4.8
131.00136	3.1
132.10207	5.9
133.06056	5.6
134.04472	2.8
134.06064	2.9
134.99644	23.2
136.06172	7.2
136.07626	2.7
140.03874	6.3
141.10361	2.2
142.05405	6.4
142.08696	2.5
142.12381	2.5
146.97842	5.3
146.99686	4.4
147.07648	6.1
147.11287	9.0
157.09680	5.2
158.04968	13.6
160.06453	12.8
161.02977	3.3
164.98988	7.6
170.04910	4.4
171.03146	2.8
174.97606	5.6
175.04494	2.8
175.11885	2.9
176.05934	4.3
176.97426	6.8
177.00978	11.5
177.05504	7.3
178.05925	3.3
178.07503	5.7
183.08131	4.1
185.98915	4.5
186.12418	3.0
187.10828	4.1
187.14439	9.0
188.05956	12.8
188.98911	7.6
189.00726	2.7
189.04333	25.6
191.02295	4.2
191.03906	6.8
192.98715	3.9
194.98485	5.1
200.04451	3.1
201.00768	3.0
201.12401	5.2
205.08278	5.4
206.07030	29.7
206.99979	6.1
207.05409	15.0
216.98692	9.3
219.01877	9.6
224.08083	30.9
228.13480	4.9
230.07001	40.7
234.99622	4.6
235.07568	4.5
237.03107	2.8
239.07011	5.3
242.18736	2.6
245.05122	5.4
248.08078	100.0
249.02477	10.8
249.08614	2.6
252.10287	5.6
253.00667	4.4
263.06262	5.0
266.00110	10.6
266.09091	4.4
267.03592	12.4
269.12656	2.8
270.99796	3.2
271.09586	4.2
272.06549	5.4
273.98087	3.3
275.02911	2.7
281.19312	2.6
297.12460	3.4
298.10727	5.3
301.14404	15.7
315.02423	6.0
315.13474	5.0
318.98459	3.0
319.01703	3.2
319.15408	82.3
320.15643	3.3
336.99240	9.2
337.16345	13.9
342.17032	4.6
361.02780	8.0
361.14151	4.4
361.24475	8.3
379.00299	4.1
379.08475	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	360.2131
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
55.05511	0.8
56.05037	1.5
60.04517	0.8
65.84163	0.5
67.39604	0.5
69.03422	0.9
69.07070	11.5
70.02961	1.0
70.06593	10.6
71.01185	1.5
72.08157	4.9
79.05483	1.0
81.07043	0.7
84.04505	1.1
84.08138	4.5
85.02908	1.7
85.04036	0.8
85.08921	0.7
86.03268	0.8
86.09711	93.1
87.10043	2.4
88.03994	16.6
91.05499	0.8
93.07062	0.8
94.61993	0.7
96.08144	6.1
98.02427	2.6
103.05479	1.1
105.07066	1.3
107.08596	2.3
108.08930	1.8
108.56912	0.6
110.07181	3.9
110.09682	1.7
113.10776	1.0
120.08113	2.6
127.03938	1.1
129.10248	2.3
132.10196	5.4
133.06073	2.0
133.10156	1.1
134.10500	0.8
138.09158	3.2
141.10228	12.2
142.08644	1.7
143.11777	1.2
145.05031	1.0
155.08191	0.9
155.11810	1.1
156.07683	2.7
156.10216	21.1
156.11496	1.1
161.09598	0.6
166.08652	1.3
179.10585	0.9
180.11032	1.1
183.11281	5.9
184.09657	2.2
185.16483	1.2
197.11705	3.8
198.12085	8.2
201.12357	100.0
202.12732	1.3
229.11858	13.9
357.99686	0.6
358.71948	0.6
360.23724	1.7
376.20874	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2129
Annotation	Ile Ile Asp
Peak:m/z	Relative Intensity
55.05522	0.5
56.05040	0.9
56.96563	0.6
60.04536	0.4
69.03424	0.9
69.06725	0.4
69.07073	5.6
70.06592	2.1
72.08154	3.9
73.08487	0.4
74.06098	0.4
79.05506	0.3
84.04497	1.6
84.08140	1.3
85.02907	1.6
85.84918	0.3
86.09710	100.0
87.04497	0.3
87.10038	1.2
89.03929	1.0
94.94365	0.3
96.51159	0.3
97.02881	0.8
98.20782	0.7
98.97587	1.5
99.04417	0.4
110.07187	0.7
110.97562	0.4
116.07100	0.9
116.98632	0.8
117.03371	2.1
120.08117	0.5
127.03940	0.4
128.98666	0.4
129.10246	0.7
130.05031	0.8
134.04541	0.7
137.18196	0.3
143.00156	0.5
144.06499	0.7
145.02861	3.4
149.05954	0.4
152.31171	0.3
158.99677	0.5
162.07631	0.8
167.07094	0.3
170.99693	0.5
171.14900	0.6
177.05492	4.6
199.18071	24.4
200.18362	0.5
201.00774	0.4
219.01764	1.7
227.17537	10.0
237.02861	2.2
247.12915	7.7
261.02966	0.6
263.05960	2.1
263.56213	0.3
279.03976	1.2
297.03101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.05523	0.6
56.05046	1.3
60.04506	0.8
67.05507	0.7
69.07070	8.4
69.99077	2.6
70.02949	1.1
70.06596	7.7
71.04987	0.6
72.08157	3.1
73.02937	0.6
84.04504	1.1
84.08139	2.5
84.08912	0.5
85.02909	0.9
85.04037	1.2
86.09712	100.0
87.10050	2.4
88.03996	11.7
91.05477	0.7
93.04509	0.7
93.07034	0.7
96.08127	3.8
98.02453	2.6
107.08649	0.9
110.02391	0.6
110.07188	2.6
110.09666	1.3
113.10770	1.9
114.09197	0.6
115.05025	0.5
119.04939	0.5
120.08112	2.7
121.50462	0.5
129.10265	1.7
130.06476	0.8
132.10220	9.3
133.06110	0.9
136.07574	0.9
137.05983	1.3
138.09164	2.3
141.10239	9.3
142.08627	1.8
143.11783	1.0
145.04948	0.7
151.03935	0.8
155.11836	1.0
156.10217	12.4
157.13409	0.5
165.00494	0.5
166.08701	1.0
175.49574	0.5
183.11295	6.8
184.09731	2.3
187.10782	0.8
200.13873	1.2
201.12363	77.0
202.12428	0.9
212.09251	1.3
217.13342	0.8
217.57956	0.5
229.11842	19.4
245.13216	0.7
247.12915	5.8
323.96222	0.6
360.15378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29927	4.4
55.05500	14.9
57.03453	10.2
57.06830	7.5
57.07082	100.0
58.43012	4.4
67.05510	37.9
68.18472	4.3
69.07076	22.8
70.06582	6.5
71.08636	97.4
71.56525	7.4
75.04488	5.4
79.05527	4.4
81.07066	42.3
83.08611	21.2
84.00365	5.7
85.10175	35.8
88.07635	11.8
93.07056	6.2
95.08606	55.8
97.10195	24.3
105.03738	25.9
105.07001	4.7
106.08652	5.4
106.93989	4.4
109.10151	37.4
111.11694	11.6
121.06485	4.7
122.06381	12.0
123.11713	13.4
137.13217	8.8
173.38707	5.2
224.73505	4.7
267.26807	11.5
296.29480	55.5
341.30551	61.8
341.34503	7.3
359.23453	8.9
359.37231	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.8
60.04521	0.6
61.57737	0.6
69.07066	1.4
70.02960	1.7
70.06601	1.8
70.80489	1.2
72.08148	2.2
73.02922	4.4
77.06798	0.6
84.04503	0.8
84.08131	3.0
84.77233	0.8
85.02910	1.6
85.04048	1.4
86.09711	84.5
88.04005	10.6
93.07024	0.8
96.08149	3.1
98.02422	4.8
98.02956	0.8
100.03987	4.7
110.07169	1.5
113.04250	1.0
113.10773	2.9
119.04917	0.7
120.08110	1.9
129.10207	1.1
132.10223	7.8
138.09149	5.5
141.10242	12.3
142.08687	1.6
151.67361	0.9
152.10739	0.8
155.11798	1.6
156.10216	12.7
166.08606	0.8
183.11320	6.6
184.09753	3.2
201.12357	100.0
202.12683	1.3
229.11841	18.4
245.18690	1.2
325.10699	0.6
342.19913	0.7
360.02802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.229
Annotation	Asn Ile Leu
Peak:m/z	Relative Intensity
51.39402	0.5
55.05511	1.4
55.78613	0.5
56.05033	1.3
60.04530	0.8
67.05506	0.6
69.03423	0.8
69.06719	0.9
69.07072	10.8
69.88862	2.7
70.02963	1.7
70.06593	8.4
72.08155	6.2
73.04041	1.1
74.02448	0.8
74.06066	0.8
79.05499	0.7
83.06124	0.7
84.04507	2.4
84.08145	7.4
85.02912	1.0
85.04037	2.4
85.06505	0.5
86.09708	100.0
87.05585	7.9
87.10060	1.0
88.03997	2.2
91.05460	0.6
93.07034	1.2
96.08125	5.4
97.06562	1.0
98.02421	5.7
98.21422	0.9
102.05518	0.6
103.05444	1.1
104.05312	0.7
107.08594	0.9
110.02412	3.4
110.07173	5.8
110.09650	2.7
112.08781	0.7
112.11249	0.9
113.10757	2.7
115.05065	0.8
116.07080	1.5
119.04938	0.5
120.08127	6.1
124.03930	0.7
126.05511	0.7
127.23711	0.5
128.10793	0.6
129.10266	3.6
132.10210	5.4
133.10086	0.5
137.06044	0.5
138.09129	5.3
141.10237	16.6
143.11806	1.2
149.02380	2.2
155.11803	18.0
163.03889	1.2
166.08669	3.7
170.06107	0.5
171.11325	0.8
173.12779	0.6
181.04987	1.1
182.13043	0.6
183.11304	14.3
187.10803	1.5
192.84225	0.5
194.08179	0.6
197.11760	2.2
200.13947	63.0
201.12367	0.7
201.14302	1.2
211.10867	2.1
212.09276	1.5
212.26027	0.5
228.13437	17.6
229.11874	1.2
237.03851	1.2
245.18672	1.6
246.14621	3.0
255.17033	1.0
268.57541	0.5
283.16620	1.3
286.01254	0.8
296.19702	1.9
325.17667	2.8
342.20407	1.0
359.02509	0.8
359.08759	0.6
359.22906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91962	0.8
55.05505	0.8
56.05034	1.4
60.04521	0.9
61.02931	1.2
67.05510	1.3
69.03427	2.5
69.07070	12.9
70.02946	1.7
70.06595	14.6
71.55045	0.9
72.08155	5.4
73.02914	1.1
74.06067	1.1
79.05537	0.9
81.03412	1.4
81.07082	1.1
84.04505	2.5
84.08148	11.7
85.02910	7.1
85.04038	4.0
85.08504	0.8
86.09709	100.0
87.05589	7.2
87.10027	1.6
88.03983	2.4
91.05502	2.1
93.07043	2.4
95.01318	1.0
95.04955	0.8
96.08147	3.3
96.37464	0.7
97.02913	1.4
97.06539	1.3
98.02434	3.7
102.05543	1.1
103.05457	1.2
104.35327	0.7
105.07045	2.2
107.08604	5.1
109.02847	0.8
109.10133	0.8
110.02411	3.2
110.07158	3.3
110.09718	1.6
111.09258	0.7
111.62899	0.8
113.10763	3.5
116.07104	7.1
119.75858	0.7
120.08130	5.2
120.10561	0.8
121.06522	1.2
124.03981	1.3
124.07600	0.7
127.03933	1.7
129.10233	8.1
130.06465	0.8
131.11850	0.8
132.08122	2.6
132.10184	3.6
133.10114	4.5
135.11688	4.9
136.07611	0.9
138.09148	3.6
141.10223	12.2
143.11824	1.2
145.04961	0.7
148.06117	0.8
155.11789	9.4
159.09169	1.0
161.09654	2.6
166.08635	6.9
179.10677	10.0
183.11313	8.4
187.08778	1.3
187.10835	2.7
197.11746	21.7
198.12270	0.7
200.13950	33.2
201.14288	1.2
211.10721	3.6
212.09172	3.8
213.12434	0.8
216.11386	1.1
228.13445	17.7
228.15543	1.4
229.11859	4.5
237.03883	1.1
244.10893	0.9
244.38510	0.7
245.18767	0.9
246.14511	8.6
255.17058	1.3
296.19693	4.0
314.20755	1.6
325.17639	0.9
342.20663	0.7
345.13171	0.9
359.23013	1.0
372.82544	0.8
375.43347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77376	0.5
55.05506	1.6
56.05057	1.0
60.04509	0.6
65.52010	0.5
67.05502	0.7
69.03433	1.3
69.07072	6.5
70.02958	2.2
70.06602	8.6
71.17118	1.1
72.04514	0.8
72.08171	5.2
73.02905	0.6
73.19938	0.7
74.06100	0.7
75.05600	2.0
75.48333	0.6
81.03406	0.8
81.07067	1.4
84.04533	3.0
84.08144	6.0
85.02929	1.3
85.04035	0.9
86.09711	100.0
87.05586	7.8
87.06835	0.5
87.10039	1.5
88.04001	3.6
91.05508	0.8
93.07066	1.3
95.08614	0.9
96.08136	3.3
97.02821	0.5
98.02413	4.6
99.05632	1.0
102.05565	1.2
107.08604	1.2
109.02837	0.8
110.02433	2.9
110.07177	2.3
110.09695	0.8
112.11259	0.9
113.10787	3.5
115.05068	1.2
116.07097	1.4
120.08129	2.7
124.03958	0.7
129.10226	4.3
131.04887	0.8
132.10211	8.4
137.06000	1.2
137.09534	0.6
138.09135	5.9
140.34921	0.7
141.06584	0.7
141.10242	9.6
143.11807	10.9
155.11800	14.0
155.12994	1.0
156.10271	0.9
164.91591	0.7
166.08688	2.1
171.11290	3.9
176.03697	0.6
183.11308	11.0
189.12364	4.4
200.13957	50.0
201.12424	5.6
201.14282	1.2
211.10852	1.0
228.13435	12.5
228.15572	1.0
229.11934	1.9
229.15331	1.2
245.18689	2.2
246.14592	0.7
255.17079	1.2
279.16873	0.8
283.16684	0.8
300.19153	0.7
325.17776	2.9
341.21985	1.7
342.20139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	2.4
55.05510	1.6
57.03431	1.6
59.89108	0.9
61.02923	2.1
63.28023	0.9
67.05502	1.2
69.03438	7.1
69.07074	6.3
69.70287	2.2
69.70702	4.3
70.02934	1.2
70.06583	4.3
72.08129	1.7
79.05475	1.5
81.03403	4.1
81.07062	2.2
84.04481	1.2
84.08124	4.3
85.02427	1.6
85.02912	27.6
85.04005	1.7
86.09711	53.1
87.05570	4.0
88.03951	1.1
91.05484	4.3
91.63299	0.9
93.07059	5.7
95.04961	1.4
97.02911	7.1
98.02425	1.6
99.04459	1.4
105.07054	7.2
107.08601	21.8
109.02877	2.0
109.06489	2.4
109.10108	2.2
110.02396	3.2
110.07124	1.0
113.10831	1.3
116.07063	1.7
118.32850	0.9
119.08572	2.9
120.08061	1.7
121.06509	2.2
127.03925	5.0
129.10225	2.6
132.10219	2.1
133.10136	22.6
135.08018	1.4
135.11693	21.4
137.06030	0.9
137.09558	1.2
138.09125	2.4
141.10242	5.7
145.04933	2.8
149.24254	0.9
151.11203	1.8
155.11786	3.5
161.09625	11.8
166.08627	4.0
179.10686	36.4
183.11282	4.1
187.10785	1.6
197.11745	100.0
198.12056	2.0
200.13956	13.9
211.10789	1.8
212.09201	2.1
228.13440	8.3
229.11954	2.9
245.92909	0.9
246.14493	6.1
284.85202	0.9
294.97037	1.0
296.19595	1.9
314.20563	1.4
331.18683	1.0
331.62354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76435	1.1
53.03932	2.6
55.01875	2.0
55.05514	9.9
55.24339	1.2
56.05023	4.3
56.22587	1.1
57.03429	2.8
59.04992	1.5
60.04517	2.6
61.01150	1.4
61.02925	2.9
67.05505	3.3
69.03123	1.2
69.03434	12.2
69.07056	4.3
69.90413	5.6
70.06594	20.5
71.04986	2.3
71.06903	1.0
72.08156	100.0
73.01122	1.4
73.02925	2.0
73.08467	1.1
74.06080	2.7
77.35938	0.9
79.05502	2.4
79.20412	1.2
81.03419	5.3
81.07034	2.8
82.06568	1.2
83.04996	1.4
83.06093	2.3
84.04047	1.2
84.04510	14.5
84.08147	23.1
85.02432	2.2
85.02908	32.5
86.09708	48.5
87.05581	2.6
88.03979	2.9
91.05471	6.6
93.07040	4.8
94.50255	1.1
95.04967	3.4
95.06101	1.1
95.08614	5.7
97.02901	9.5
98.06060	2.8
98.97432	1.4
99.04482	2.6
101.07132	4.8
102.05550	2.3
104.05358	1.3
105.04013	1.0
105.07033	9.2
107.04943	1.2
107.08598	52.9
109.02881	3.2
109.06493	2.5
109.10155	8.2
110.07156	4.7
112.08743	1.7
114.09171	1.2
115.08675	2.1
116.07092	2.7
117.10256	3.8
117.86707	0.9
118.73826	1.1
119.04935	1.4
119.08589	2.3
120.08112	2.5
121.06494	2.6
127.03922	7.1
129.06644	2.9
129.10249	15.0
130.04987	3.9
130.06546	1.5
132.10201	4.6
133.10133	24.5
134.04517	2.4
135.11716	10.2
136.07576	2.8
137.05949	3.3
137.09680	6.3
143.11801	9.0
145.04971	7.4
147.11290	1.1
151.07526	1.4
151.11169	5.0
152.07010	1.7
157.13408	1.6
159.09157	2.2
159.11317	2.3
161.09613	9.6
171.11266	3.3
179.10658	21.0
183.11278	2.9
187.10736	1.4
189.12325	3.4
194.08185	3.3
197.11720	83.9
198.12007	1.5
199.07184	1.4
201.12340	7.2
211.10767	1.6
215.14017	2.0
228.13327	8.2
229.11790	3.0
230.92847	1.2
231.17122	3.6
242.14943	3.3
243.13416	2.5
307.07962	1.3
342.72845	1.3
359.07275	2.2
359.16745	2.4
359.23874	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13342	0.6
53.03934	1.0
55.01852	1.0
55.05517	0.8
57.03418	0.9
58.99585	1.0
61.01129	0.8
61.02921	1.8
61.43471	0.6
63.20419	0.7
64.44482	0.7
67.05493	1.4
69.03427	3.6
69.07057	2.7
69.48104	0.6
69.95177	3.3
70.06602	5.7
72.08149	3.0
73.01144	1.3
74.06055	0.9
74.21199	0.6
75.16164	0.7
79.05479	2.4
81.03419	1.9
81.07055	2.8
84.04480	0.9
84.08152	4.4
85.02911	11.4
86.09711	36.0
87.05588	1.0
88.03967	1.6
90.45842	0.7
91.02169	2.5
91.05503	3.9
93.07047	6.9
95.08604	1.6
96.08131	0.9
97.02898	3.0
97.06525	1.6
98.02367	0.9
98.21386	1.2
99.02732	0.9
101.04269	1.0
105.07035	8.3
107.08601	33.6
109.02885	1.6
109.06535	1.0
109.10191	1.7
110.07173	1.3
111.04446	0.6
113.04216	2.2
113.77702	0.6
116.98324	0.8
119.04978	0.9
119.08588	5.2
120.08104	1.4
121.06530	0.7
121.10139	6.4
123.08103	0.8
123.11703	1.3
127.03937	2.0
129.10245	3.3
131.08572	0.8
132.10161	1.8
133.10139	20.8
135.11673	0.7
137.05930	1.3
138.09125	0.7
139.07588	0.7
141.10173	2.1
143.08571	0.8
143.11812	5.6
145.01416	0.6
145.04984	0.9
149.09641	3.6
151.07645	0.9
151.11182	7.8
155.11792	2.0
155.26779	0.7
156.10147	0.9
161.09636	6.3
167.10693	15.5
171.11310	1.9
179.10690	16.5
179.12189	1.1
183.11285	1.3
189.12344	2.5
197.11745	100.0
198.12061	1.9
199.35770	0.7
200.13945	5.9
201.12360	3.5
228.13486	2.1
229.11786	1.0
272.73117	0.9
325.37231	0.6
359.07333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99584	9.3
61.01151	7.5
64.14985	2.5
67.05515	3.6
69.07066	9.3
70.06585	4.1
70.99573	7.5
71.55059	4.4
72.00351	3.5
72.08161	2.9
73.01147	100.0
73.39540	2.3
74.13925	2.5
77.94925	2.4
79.05494	3.9
81.07063	5.8
84.08144	4.3
85.01101	2.8
86.09704	3.5
87.04452	2.5
90.01408	6.2
91.05481	3.8
93.07101	3.3
95.08587	3.5
97.06554	4.6
99.02699	3.0
101.04279	2.6
102.96730	11.6
103.97542	35.1
104.98318	13.2
112.03462	4.8
113.03499	4.2
113.04244	40.4
115.03790	5.5
115.05821	3.6
116.98336	3.4
118.99903	5.8
120.08102	4.7
121.10122	3.2
129.03705	6.0
130.99881	2.3
131.05310	3.3
136.95497	81.0
138.82123	3.1
145.01447	6.0
147.02962	5.4
151.78618	2.6
157.10199	2.6
179.00150	3.3
194.99692	15.4
220.40262	2.7
256.77951	2.8
359.22345	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	359.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.3
58.99594	11.9
61.01152	7.9
62.99102	1.0
65.03948	2.1
67.05507	6.3
67.20698	1.0
69.06723	1.3
69.07076	17.8
69.98971	4.4
70.06586	0.9
70.99578	1.4
72.00386	1.1
73.01151	15.8
74.01920	2.3
75.02707	6.7
79.05496	9.5
85.01134	4.4
87.02655	1.1
89.04276	1.0
93.85546	0.9
95.04983	5.0
96.05739	3.1
96.92415	9.2
97.01121	1.4
97.06545	24.6
98.07343	1.1
99.02686	6.9
101.04250	20.4
103.97568	1.2
104.98326	46.8
105.99097	1.3
111.02678	11.2
112.03460	7.2
113.04238	100.0
115.02175	3.9
116.06576	3.1
116.98330	1.4
127.02203	1.7
129.03714	52.8
130.04498	12.4
130.99860	1.8
131.05286	4.2
135.89485	0.9
136.95490	1.2
138.97070	15.7
142.99907	4.6
144.00638	1.8
147.02982	1.1
149.02388	1.8
152.95001	1.4
161.00967	5.8
162.01643	1.5
164.98663	2.5
168.90785	0.9
174.97011	3.1
192.98026	1.1
193.05020	2.3
239.03806	1.0
269.01654	1.3
302.13022	1.0
359.02847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06110	0.9
53.03950	1.1
55.05515	1.3
55.68827	1.0
57.07073	2.0
58.99591	7.5
61.01151	5.1
62.34106	0.9
67.05510	5.8
68.06299	0.9
69.07072	14.6
71.29260	1.8
73.01145	13.1
74.01900	1.2
75.02707	4.0
79.05499	11.6
81.07067	1.5
85.01118	2.8
95.04953	3.7
96.05750	3.1
96.92413	6.6
97.01149	1.8
97.06538	15.1
98.01875	1.4
99.02683	4.7
101.04257	14.0
104.98322	26.3
111.02664	10.5
112.03479	7.3
113.04238	100.0
114.05020	1.2
115.02167	3.0
115.05760	1.1
116.06579	1.4
116.26830	1.1
116.98341	2.2
129.03711	33.1
130.04483	5.8
130.99879	1.6
131.05273	4.7
136.95581	1.7
138.97054	8.3
142.99864	5.4
144.00626	7.8
145.01447	2.8
145.02596	1.0
148.03680	1.3
149.29254	0.9
161.00922	5.9
161.02036	0.9
174.97005	2.5
181.12578	0.9
191.33197	0.8
192.98174	2.0
224.50186	0.9
242.24818	1.7
251.93770	1.1
269.01669	6.5
320.50824	0.9
337.65933	0.9
358.29556	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	359.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.2
55.26027	1.7
57.02442	1.8
58.99580	7.6
61.01139	6.5
69.07058	2.0
70.06573	1.8
70.61346	3.7
70.99554	5.7
72.00346	4.3
73.01147	100.0
76.55146	1.9
79.05519	2.3
81.07042	3.2
83.08591	3.1
85.01132	2.5
90.01421	2.6
102.96758	9.2
103.97543	37.5
104.98324	12.5
113.04243	12.0
115.05804	4.4
116.98311	1.9
118.99841	6.3
121.85110	1.9
134.09216	1.8
136.95499	82.5
137.00475	2.2
145.01393	7.5
147.02966	6.8
179.00153	2.9
194.99704	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	357.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12790	5.8
56.68331	5.9
58.99579	16.4
61.01153	12.6
66.15529	5.6
67.05505	14.8
69.03416	7.0
69.07056	19.3
70.06602	7.1
71.55145	10.1
73.01147	35.1
73.06553	8.1
79.05499	20.7
81.07064	6.6
81.51669	5.8
85.01115	7.6
86.09725	6.3
97.06525	24.1
101.04237	22.0
103.05458	5.3
103.97505	7.6
104.98319	20.3
111.02681	10.9
112.03477	14.6
113.04238	100.0
121.10125	6.9
121.30548	8.1
129.03683	23.1
131.05287	8.5
136.95497	15.0
137.71832	6.4
142.99857	9.6
145.01361	14.0
155.84149	6.6
161.00914	15.1
161.93695	5.6
163.02463	6.8
194.99609	8.2
271.62347	6.8
285.01193	6.4
356.36154	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	358.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
58.06606	26.3
58.77389	1.0
58.99585	7.6
60.23967	1.1
61.01151	3.0
62.89360	1.0
69.07057	1.5
69.23465	5.5
69.23894	6.4
70.06595	3.5
72.08167	1.4
73.01145	25.9
73.02917	2.1
74.00683	1.4
76.02247	2.3
77.46841	1.0
84.08177	2.5
86.09717	7.5
86.99065	5.4
99.02693	4.7
104.98322	14.1
105.00098	3.6
106.99871	5.8
110.07216	1.3
111.64543	1.2
113.44952	1.1
116.05331	7.6
120.01176	1.7
124.78643	1.2
145.03180	37.6
147.02997	2.5
162.05850	100.0
194.03023	8.9
202.08939	3.2
225.10474	1.3
268.04953	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	358.1651
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
56.05037	0.5
57.19027	0.3
61.01156	0.7
61.75710	0.4
63.02383	0.4
67.05502	0.5
70.06595	1.5
71.55098	0.4
72.08173	0.5
73.01156	0.6
78.04717	0.4
79.05489	0.5
81.07073	0.4
84.08159	1.1
86.09708	1.1
89.03931	7.4
91.05486	0.9
97.06592	0.6
103.05476	0.7
104.98309	0.6
105.07024	1.2
107.04958	0.5
110.35101	0.4
113.04236	0.9
116.05325	0.6
117.03393	23.3
119.04923	0.6
121.06515	0.6
124.05156	0.5
129.10278	0.5
132.05734	0.6
132.10628	0.4
133.06496	0.8
134.03616	1.9
134.07283	0.7
135.04422	2.5
145.02863	49.7
148.05142	0.4
149.06007	7.2
150.06766	3.4
153.07721	0.4
163.03850	0.7
163.07549	1.3
165.09145	5.6
177.05490	100.0
178.05818	1.8
186.05519	1.9
191.07057	7.4
196.04257	1.3
201.41556	0.4
222.30356	0.4
230.04245	0.5
242.18369	0.4
278.10818	0.4
358.17157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2699
Annotation	Ile Leu Leu
Peak:m/z	Relative Intensity
56.05021	0.3
67.05504	0.3
69.07074	6.2
70.06594	4.6
70.53375	0.9
72.08159	0.7
84.04517	0.4
84.08140	0.9
85.02907	0.3
85.48322	0.2
86.09708	100.0
87.10049	0.9
91.67712	0.3
98.09739	0.3
98.47517	0.3
98.48714	0.3
104.98331	0.3
110.07202	0.5
120.08118	0.4
129.03728	0.3
129.10271	0.8
132.10207	2.0
134.07895	0.3
141.10170	0.3
144.73776	0.3
155.11739	0.3
156.18686	0.3
199.18068	29.1
200.18391	0.4
227.17555	13.4
229.15552	1.1
235.07631	0.5
245.18620	7.3
253.08585	0.3
263.07318	0.3
289.63052	0.3
358.27145	0.5
368.14688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.05034	0.5
57.05823	0.3
58.06607	0.4
60.04522	0.7
61.01151	0.3
67.05504	0.5
69.07073	7.4
70.06597	3.7
70.85316	0.6
72.08154	2.8
79.05487	0.3
81.03413	0.4
83.08548	0.3
84.04503	0.6
84.08144	2.6
84.57660	0.3
85.02898	0.3
85.06530	0.3
86.09708	100.0
87.10043	0.9
91.02219	0.3
91.05484	0.5
95.04940	0.4
95.08622	0.4
97.06508	0.3
102.01176	0.3
106.07356	0.3
109.02895	0.4
110.03227	0.3
110.07174	0.4
112.04004	0.2
112.11246	0.5
116.07095	0.5
116.10702	0.2
119.08596	0.4
120.08105	0.8
125.58946	0.3
129.10260	1.5
132.10164	0.5
137.05968	0.7
138.06389	0.2
163.07483	0.3
170.06085	0.3
173.12874	0.4
188.07170	0.3
190.08592	0.3
199.18068	31.9
200.18433	0.4
227.17542	11.8
228.17889	0.3
244.15500	1.0
245.18617	3.6
358.13342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.5
58.99588	24.6
61.01158	25.1
65.03942	3.9
67.05508	10.7
67.05834	2.8
69.07076	38.9
69.84049	16.0
72.00365	3.1
72.08137	5.1
73.01147	25.5
73.06558	99.4
79.05486	8.7
81.07060	6.1
87.02680	5.0
88.55236	3.1
90.01407	3.1
93.39556	2.9
95.04992	6.5
96.05745	6.5
97.01134	3.2
97.06530	31.8
99.02692	14.5
101.04250	43.2
103.97533	4.4
104.98317	46.3
109.10134	5.1
111.02651	15.4
112.03454	22.8
113.04237	100.0
120.65601	3.1
127.02142	4.9
129.03716	61.0
130.04498	25.3
131.05273	17.2
133.01416	14.2
136.95488	10.7
142.99883	7.7
144.00644	5.9
145.01424	23.0
161.00920	14.6
175.83997	2.8
176.98653	4.8
194.99680	7.7
220.96487	2.7
225.48427	3.0
226.94774	3.3
227.17662	3.0
235.02931	3.0
285.01035	14.7
356.98947	3.7
370.64346	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13227	2.8
52.29623	2.9
55.05505	3.4
57.75713	2.7
58.99585	27.6
61.01156	26.8
67.05499	13.7
68.00068	3.4
69.06731	3.0
69.07076	45.0
70.16028	5.8
70.16431	7.0
70.99578	5.5
73.01142	27.8
73.06560	98.3
79.05479	10.5
85.01095	3.3
87.02686	5.3
87.60635	2.9
90.01403	5.6
95.05011	5.1
96.05748	5.5
97.06536	23.5
99.02700	18.2
101.04250	48.6
103.97534	5.4
104.98322	50.1
105.85427	2.8
111.02682	19.3
112.03475	20.6
113.04242	100.0
114.05043	3.2
115.02147	8.5
117.09010	3.5
127.02132	5.5
129.03723	59.7
130.04515	27.0
131.05304	14.4
133.01440	15.6
136.95515	9.7
142.99844	11.0
143.35852	3.2
145.01451	16.1
148.25336	2.9
161.00931	18.6
163.02487	5.4
194.99651	10.1
244.12248	3.3
285.01172	14.2
319.30344	4.9
354.26678	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.05515	34.3
58.06606	29.4
58.99583	28.2
61.01157	44.8
65.03963	3.5
67.05511	11.2
68.76934	3.0
69.03432	8.4
69.07076	12.8
69.76976	17.3
70.06593	19.4
70.99566	6.0
72.08146	5.9
73.01148	45.1
76.02219	16.2
77.65321	3.3
79.05489	16.8
81.03423	9.5
81.07057	20.0
83.04977	3.8
83.08624	38.6
84.04509	11.7
84.08154	4.9
85.01131	11.0
85.02885	5.0
85.98035	17.6
86.09711	5.5
91.05454	3.8
93.07039	6.7
95.04988	6.6
95.08615	7.0
96.92403	4.7
97.02916	4.8
97.06523	6.4
99.02693	45.4
99.04456	6.8
101.04280	10.2
103.97536	6.3
104.98324	100.0
105.07056	4.4
107.04963	4.2
107.08557	4.7
109.02882	13.8
111.02666	5.3
111.04433	3.3
112.03451	10.9
112.04086	7.6
113.04244	83.2
114.01144	12.3
114.05017	10.2
115.05820	27.7
116.01678	14.0
116.05330	65.8
116.07114	30.4
116.98299	21.8
118.99876	69.4
127.03942	12.3
129.03656	6.7
133.01392	3.8
136.95509	9.1
137.06023	9.2
138.97108	3.1
142.99825	5.4
144.01123	4.4
145.01433	20.2
145.02823	3.7
146.02208	12.8
162.02249	10.4
177.05527	11.3
179.00194	13.2
179.04843	7.1
191.97156	5.4
202.05342	38.5
209.00739	3.5
219.08008	69.5
229.75928	3.9
245.40379	3.4
289.14990	3.9
307.09653	5.2
307.51013	3.2
357.01160	4.3
357.08142	4.7
357.14224	7.7
370.47565	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	357.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	8.1
58.99575	18.4
61.01152	11.2
67.05494	11.1
69.03420	8.6
69.07057	25.7
70.06586	15.3
71.55737	9.1
73.01134	28.5
73.06554	73.6
79.05495	12.5
84.08143	8.0
91.02167	6.7
91.05431	8.7
97.06530	29.5
99.02660	11.0
101.04237	26.4
103.97517	7.4
104.98364	34.3
109.02919	13.8
110.07191	7.0
111.02644	22.0
112.03470	17.6
113.04247	100.0
119.08527	8.9
129.03757	36.8
129.10205	7.9
130.04488	16.6
136.95509	7.9
142.99821	11.1
145.01413	26.8
161.00848	20.2
178.06581	6.3
180.19823	6.4
226.94640	11.2
357.20871	7.8
377.12634	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	357.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11001	1.2
57.66715	1.4
58.99588	8.3
61.01140	4.5
67.05502	3.2
69.07081	10.4
70.18600	5.3
72.00358	2.3
73.01151	30.5
73.58358	1.5
76.09419	1.3
79.05487	9.2
85.01111	1.9
85.36116	1.3
88.98104	1.5
95.05006	2.8
96.05760	2.2
97.01120	1.9
97.06541	11.0
97.28474	1.4
99.02682	3.1
101.04248	9.7
102.96755	3.9
103.97548	12.7
104.98327	12.4
109.10184	1.6
111.02661	5.1
112.03455	6.8
113.04241	100.0
114.05049	2.2
115.02204	2.5
129.03717	20.9
130.04521	4.2
131.05258	5.0
136.95499	13.2
142.99849	3.4
144.00623	3.2
145.01399	3.6
161.00896	3.5
174.97005	1.8
221.93597	1.4
267.00131	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	357.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
58.99605	7.8
61.01146	4.8
64.50851	1.4
67.05499	4.8
69.07072	11.5
69.81340	7.7
73.01148	33.0
75.46551	1.4
79.05489	11.4
85.01117	3.0
87.68085	1.4
87.88302	1.5
95.04970	4.1
96.05770	2.6
97.05482	1.6
97.06562	11.8
97.07113	2.1
98.21449	1.8
99.02676	5.8
101.04250	11.1
102.96761	6.5
103.97547	9.5
104.98305	10.8
109.10165	2.1
111.02678	6.5
112.03443	5.3
113.04244	100.0
114.05043	2.0
129.03700	15.4
130.04483	4.8
131.05296	3.9
136.95476	14.8
140.55469	1.8
142.99883	4.3
144.00627	3.3
145.01447	4.3
161.00903	5.9
161.30420	1.6
171.08488	2.1
187.71747	1.6
258.28796	1.7
258.35406	1.5
266.99927	2.6
317.11932	1.7
330.88040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
53.43351	1.0
55.05497	1.5
58.99590	11.2
61.01158	6.5
66.77596	0.9
67.05504	4.2
69.07072	15.0
69.76970	5.5
70.99563	3.9
72.00351	2.3
72.13416	0.9
73.01151	53.0
79.05501	12.1
85.01127	3.4
85.42619	0.9
87.02692	3.2
90.14996	1.0
95.04945	1.2
96.05748	2.1
97.06542	16.6
99.02686	8.9
101.04252	17.2
102.96764	8.3
103.97548	22.5
104.98331	18.2
109.10183	1.2
111.02702	5.8
112.03461	6.7
113.04240	100.0
114.05008	4.1
115.02124	2.8
121.10125	1.2
129.03716	31.3
130.04495	6.3
130.99875	2.4
131.05264	3.9
133.01448	1.3
136.45233	0.9
136.95494	25.6
142.99857	3.5
144.00671	1.7
145.01404	3.0
158.99374	1.4
161.00931	4.9
168.92714	1.7
171.08427	3.2
174.96916	1.1
234.66055	1.1
292.05170	1.0
334.02161	1.1
371.64487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01880	6.8
55.05503	2.0
57.03436	4.9
61.02922	7.5
68.99782	4.2
69.03075	3.1
69.03432	43.0
69.07101	2.2
70.06600	13.9
71.05013	5.4
71.45905	3.3
72.08157	6.6
72.18982	1.9
73.02908	5.5
73.04759	2.8
73.06565	17.5
80.12152	1.6
81.03430	18.8
83.06090	2.5
84.04496	3.9
84.08156	11.5
85.02911	100.0
86.03291	1.6
86.09721	9.2
86.10170	1.9
87.00833	47.7
91.05806	7.1
95.08617	2.7
97.02902	32.5
99.04452	10.3
105.01876	84.1
107.83906	1.7
109.02898	24.1
110.07166	18.4
113.09621	3.3
117.01868	2.6
120.08070	1.8
121.06558	2.2
127.03927	66.0
129.01866	2.6
129.10249	4.9
132.95854	1.7
134.06120	1.8
136.05170	2.2
136.06190	40.7
136.07394	2.2
138.87575	1.7
139.00749	2.0
139.21790	1.8
145.04976	29.2
147.02867	3.1
148.07567	1.8
150.05479	2.3
154.94336	1.7
156.07668	3.2
159.02917	11.6
159.10159	2.1
166.01857	4.8
176.07048	3.7
176.09329	7.9
188.06807	1.8
194.08185	2.1
213.03918	4.1
224.06044	41.0
231.05034	22.4
248.62126	2.0
249.06010	8.8
269.97800	2.1
286.00980	3.2
292.25681	1.9
356.13651	2.0
374.05118	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	356.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99581	17.8
61.01159	28.3
67.05502	14.8
69.07079	35.9
70.06577	5.8
73.01147	21.7
79.05482	8.4
87.68020	5.1
91.05823	7.6
97.06525	20.2
101.04274	27.6
104.98329	50.1
111.02688	17.7
112.03455	23.6
113.04233	100.0
124.00623	9.9
129.03726	61.5
130.04485	17.0
131.05299	12.5
136.95497	8.7
142.99857	20.4
161.00905	24.6
163.64519	6.4
172.48102	6.0
235.02887	26.9
239.02657	5.3
355.76822	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	356.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59315	0.4
53.03937	0.8
55.01883	0.5
56.05049	0.4
56.96560	1.8
57.03438	1.1
60.04519	0.9
60.63801	0.4
61.02915	1.2
63.54840	0.4
65.03944	0.9
69.03436	4.2
70.06595	1.1
70.14068	0.4
70.33028	0.4
70.67860	0.6
70.68216	1.0
73.02912	1.0
74.06065	0.6
79.05494	2.8
81.03423	1.0
83.01345	0.5
83.06095	0.7
84.04513	0.8
84.08152	1.0
84.64346	0.5
85.02915	7.3
87.04465	0.6
91.05473	5.2
93.07044	1.0
94.06586	0.7
95.04958	0.6
97.02891	2.6
98.97600	2.8
99.04482	0.5
102.05556	0.6
103.05470	2.8
105.03396	0.5
105.07043	5.1
107.04959	0.8
109.02875	1.3
109.06455	0.5
110.07170	4.3
110.97538	0.7
115.05457	0.9
116.98647	1.0
117.05771	13.2
120.08097	3.4
122.06043	0.9
123.06819	0.9
127.03920	1.1
128.08902	0.4
128.98633	0.6
130.06511	2.7
131.04976	0.5
131.07297	1.5
132.08102	17.2
133.05255	6.2
133.08505	0.5
134.06030	0.6
136.07578	2.1
137.08363	2.7
138.05502	1.4
138.09151	0.7
145.04964	0.6
147.06770	3.3
148.07584	43.4
150.05519	7.9
150.09175	1.5
160.07603	9.7
164.07147	2.1
165.05519	0.5
165.07910	0.4
166.08655	12.3
176.07088	46.6
177.07550	0.5
182.08167	0.9
182.99594	0.4
194.08142	44.2
195.08418	0.8
201.00700	0.7
212.95659	1.0
213.08054	0.4
219.01758	0.5
225.09824	1.2
254.96729	0.6
261.02911	0.7
266.05240	0.5
279.04016	0.5
338.12363	1.2
356.13412	100.0
357.13806	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	355.2845
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03961	3.7
53.55466	2.9
54.24245	2.8
55.05515	40.6
57.03431	12.1
57.07089	21.1
67.05171	5.3
67.05510	83.2
69.07076	43.6
69.87488	7.9
69.87906	10.6
71.08652	9.2
79.05511	21.9
81.07067	100.0
83.04995	6.4
83.08632	35.0
85.06532	4.5
85.10167	4.1
89.03696	2.7
91.05456	22.3
93.07053	29.1
94.59512	2.7
95.08617	88.6
97.06532	11.4
97.10186	18.0
99.08099	3.8
102.99348	3.4
105.07049	14.7
107.08599	27.0
108.83859	3.0
109.10168	50.0
111.08035	4.0
111.11751	9.1
119.08594	15.7
121.10152	29.8
123.11729	30.8
125.09632	4.1
133.10124	20.3
135.11716	18.2
137.13263	12.2
139.11131	3.4
147.11778	14.7
149.13298	18.1
151.14816	9.3
151.21428	3.3
161.13258	17.8
163.14838	10.2
165.16412	7.2
175.14833	11.9
179.14299	3.5
179.17886	3.5
181.15810	3.0
189.16429	8.2
230.55339	3.5
245.22662	62.9
263.23734	64.2
271.76334	3.0
303.93735	3.8
320.06888	3.5
337.27399	38.1
355.24432	4.7
355.28323	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	28.7
57.03431	5.2
57.07061	13.9
62.56528	3.7
66.00459	3.6
67.05181	5.0
67.05515	92.0
67.63553	3.7
69.07079	41.0
70.26499	12.6
71.08612	6.6
79.05495	27.6
81.07063	100.0
83.08625	28.9
91.05436	25.3
93.07053	32.7
95.08614	92.8
97.06535	7.7
97.10166	18.4
99.08093	6.0
105.07044	19.5
107.08617	26.6
108.52734	3.9
109.10165	56.1
111.08054	4.8
111.11670	6.5
119.08574	18.4
121.10164	37.8
123.11732	30.4
133.10153	24.6
135.11674	16.7
137.13194	6.4
147.11676	15.3
149.13243	16.0
151.14822	9.2
161.13266	17.4
163.14821	12.1
165.16345	10.3
175.14841	12.9
179.17836	5.2
189.16360	9.5
208.38254	4.0
219.64711	3.9
231.92763	3.9
245.22661	62.4
263.23697	53.4
272.33316	3.8
337.27451	29.1
349.28366	4.1
355.24170	14.0
355.28192	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33265	4.0
56.43647	3.4
57.88051	3.6
60.77483	3.7
64.22977	4.0
64.28060	4.6
69.03416	7.8
69.52965	28.8
70.06599	100.0
72.08141	6.8
73.01139	5.9
79.05501	6.1
84.04493	8.8
84.08144	11.1
85.02911	20.7
85.39854	3.6
86.09698	26.2
95.01322	11.9
97.02909	4.0
98.20705	8.3
110.07148	5.0
112.08690	6.5
115.08688	4.6
119.08533	6.7
120.08896	8.6
124.98997	6.5
125.00921	47.8
125.05986	7.0
133.10139	10.3
134.10472	7.2
137.05977	14.4
138.06366	12.8
151.07547	10.3
152.07901	8.0
153.05429	11.4
154.45988	4.0
175.14844	14.4
175.81998	4.2
176.15163	32.1
188.14941	3.8
189.08765	4.8
194.16180	4.7
201.12335	8.3
202.09462	8.3
213.12323	9.0
215.05531	16.5
232.10457	9.7
255.74019	4.4
262.09500	7.0
266.18741	3.9
275.10162	5.0
292.10489	10.9
306.12051	11.8
311.12366	8.4
326.14719	8.2
338.14716	25.8
356.15668	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03947	2.7
55.01858	2.3
55.05513	30.5
57.03444	10.8
57.07082	11.8
65.03934	2.7
67.05508	81.9
69.03429	1.4
69.07070	46.4
69.70506	5.4
70.06588	3.0
71.04989	2.4
71.08635	6.4
73.84716	1.0
79.05497	28.0
80.00293	1.3
81.07061	100.0
82.07398	1.8
83.04989	3.0
83.08629	28.1
85.06544	3.7
85.10191	3.3
88.07623	4.0
91.05447	18.8
93.07044	32.7
95.04954	2.6
95.08611	83.8
96.08974	1.3
97.06528	8.7
97.10166	17.8
99.08096	3.0
103.03922	2.1
105.07028	16.7
107.08591	21.8
109.06523	1.2
109.10159	42.8
111.08097	4.3
111.11751	6.2
113.04246	2.2
119.08575	14.2
121.10153	28.8
123.08025	1.7
123.11706	21.6
125.09611	2.1
125.13229	1.7
127.11192	2.5
129.05476	1.7
133.10129	16.4
135.11707	16.8
137.09618	3.0
137.13249	10.3
141.12799	1.7
145.10205	1.6
147.11681	10.8
149.13257	14.6
151.11194	2.0
151.14836	9.0
153.12811	2.1
161.13257	13.2
163.14833	15.1
165.12807	1.3
165.16422	7.2
167.14326	2.6
175.14830	10.2
177.16371	2.6
179.17949	5.5
181.15895	1.4
189.16374	5.7
193.15881	1.8
193.17560	1.3
203.18076	1.5
207.17763	1.1
217.19557	1.5
245.22665	45.5
247.24228	1.6
263.23730	50.3
264.24033	1.6
285.00998	1.7
333.40488	1.1
337.27347	26.3
337.33075	1.7
338.27899	1.3
355.24402	2.0
355.28445	10.3
355.33990	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03948	2.9
55.05515	35.4
57.03422	7.4
57.07074	13.4
67.05507	82.4
69.07071	40.4
69.58991	4.9
69.59393	11.6
71.08610	7.3
71.89488	2.2
75.04474	2.7
79.05499	26.7
81.07062	100.0
83.08633	29.9
85.06533	3.5
85.10183	6.0
88.07606	3.9
91.05461	17.0
93.07056	32.5
95.04952	3.0
95.08609	86.8
97.06519	7.7
97.10171	22.4
99.08094	4.4
103.03986	2.4
105.07042	17.3
107.08595	22.8
108.36031	2.1
109.10165	49.2
111.08083	5.5
111.11722	10.0
113.09671	3.4
119.08579	18.9
121.10143	36.2
123.08015	2.7
123.11720	29.7
125.09639	2.9
125.13258	2.5
133.10138	17.3
135.11696	19.7
137.13237	9.8
147.11707	15.7
149.13249	16.9
151.11156	2.1
151.14838	8.6
155.14290	2.8
157.63551	2.1
161.13258	18.1
163.14835	16.0
165.16345	7.7
175.14815	12.1
177.16420	3.4
179.17932	5.8
181.15854	3.2
189.16418	8.3
203.17827	2.6
214.54213	2.1
245.22650	49.2
263.23712	49.7
277.80157	2.2
280.89908	2.2
285.00967	2.7
297.69360	2.1
337.27371	30.0
355.28519	3.0
356.35260	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60923	1.9
53.03945	3.5
55.01869	2.9
55.05517	35.4
57.03447	10.4
57.07087	16.2
65.03922	2.9
67.05508	83.5
69.07072	55.1
69.76979	13.0
70.06591	5.5
71.04987	2.8
71.08630	7.5
73.04733	3.4
74.13503	1.9
79.05504	30.0
81.07062	100.0
83.04987	4.2
83.08624	36.0
85.06551	4.6
85.10178	2.7
88.07638	6.0
91.05461	23.9
93.07052	36.3
95.08615	91.3
95.09231	4.5
97.06532	10.9
97.10178	16.7
98.20628	1.8
99.08078	3.9
103.03970	2.8
105.07050	18.6
107.08608	25.5
109.06516	3.3
109.10172	44.0
111.08077	5.7
111.11768	6.2
119.08597	14.5
119.37249	2.0
121.10158	28.3
123.08046	2.1
123.11723	23.3
125.09638	2.3
125.13297	2.7
126.74057	1.8
129.05487	2.5
133.10153	21.4
135.11714	17.1
137.13298	10.7
141.51666	1.8
147.11708	15.5
149.13261	13.6
151.14804	6.7
158.58769	2.0
161.13289	19.9
163.14809	11.3
165.16408	6.9
167.14243	2.2
175.14836	12.9
179.17978	3.5
189.16396	8.3
228.14256	2.3
245.22675	45.4
263.23737	51.5
264.24081	2.2
337.27393	31.4
355.06665	2.1
355.28284	7.0
355.33203	2.8
356.35211	30.2
370.41153	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	355.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01878	1.7
55.05499	4.6
57.03397	1.6
61.02932	2.3
61.38865	1.4
67.05490	4.5
69.03429	7.6
69.07067	9.2
70.06599	9.3
71.01379	1.5
71.54813	1.8
72.08156	3.3
73.01139	2.4
73.04740	2.1
79.05489	3.5
81.03410	2.1
81.07053	5.6
83.08638	2.1
84.04505	2.6
84.08150	7.2
85.02914	28.4
85.06509	1.9
86.09718	12.9
91.03358	1.4
91.05483	5.8
93.07037	3.8
94.04200	2.4
95.01336	1.9
95.04967	5.6
95.08624	8.9
97.02908	4.9
97.06508	1.5
99.04463	1.4
100.07642	1.8
100.11238	1.7
101.02406	2.7
101.95390	1.6
105.07039	12.5
107.04953	2.1
107.08579	6.8
109.02859	3.0
109.06503	2.5
109.10146	6.3
110.07140	1.8
111.04496	1.9
111.08085	2.6
115.05468	2.1
117.06995	2.7
119.05015	1.9
119.08596	32.6
120.08120	2.1
121.10139	3.6
122.03618	2.8
122.99364	3.5
123.08105	1.5
125.00864	2.2
125.05979	2.0
127.03957	6.8
127.96945	5.7
128.06229	2.2
129.06985	2.7
129.10255	5.3
131.08572	3.1
132.05698	1.4
133.10141	30.1
135.11737	2.9
136.05182	2.9
137.05992	34.5
137.09599	3.0
139.07607	1.4
145.04999	2.8
145.06471	2.5
145.10121	2.4
147.08087	1.7
147.11694	6.7
149.05991	1.9
151.07558	22.6
153.05460	3.0
157.06493	5.3
158.07269	3.7
159.21417	1.4
160.12584	1.5
161.05942	1.7
163.07558	2.0
165.05504	1.6
167.07066	1.5
172.08742	2.5
173.05980	3.5
173.13113	5.2
174.06738	4.5
175.07559	4.7
175.14841	100.0
176.15244	1.6
177.05400	2.0
179.06993	2.0
179.08679	1.8
182.15469	2.0
187.07495	6.8
188.08333	5.7
189.07059	1.4
189.09103	4.7
190.95967	2.1
193.08508	1.4
193.15903	15.4
201.05492	8.0
201.09122	16.4
203.08807	2.1
203.10692	5.7
206.07321	1.8
210.14928	3.8
217.08623	3.9
219.08109	3.3
231.08185	2.0
231.10185	9.5
233.09645	3.9
234.06801	2.0
235.07492	2.3
241.08563	2.5
245.09743	2.3
246.10480	2.8
247.07573	3.2
248.08414	1.6
249.08955	1.4
251.07030	1.5
251.10782	1.9
254.09579	1.9
261.09131	4.7
262.06223	3.1
262.09891	4.4
263.07159	2.9
263.10492	2.7
264.07956	1.6
264.11172	1.4
267.10193	3.5
269.08105	2.1
270.08875	1.8
274.09946	3.7
277.08496	3.7
277.11896	2.5
279.10257	3.7
280.07187	1.8
284.10529	9.0
285.00995	1.8
285.11179	4.5
290.09293	3.1
291.10156	5.4
292.07202	1.4
293.11752	5.1
294.12476	2.3
295.09647	4.2
296.10532	1.7
297.11005	2.4
301.18115	1.5
305.11734	12.7
306.12473	6.7
307.09692	4.2
310.11960	6.7
319.19012	3.1
322.12042	3.5
323.09085	3.9
325.14352	9.0
327.12354	2.5
337.10757	2.6
337.14310	20.8
337.20425	3.4
355.11719	5.3
355.15469	10.8
355.21188	4.9
368.84946	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91968	1.0
55.01855	1.4
55.05508	1.2
57.03436	1.6
59.39909	0.9
61.46402	0.8
66.00449	0.8
67.05488	1.1
69.03422	1.5
69.72838	5.6
70.06594	6.2
71.05019	1.3
73.01141	2.6
73.25565	1.0
74.02426	2.1
79.05499	4.2
81.07043	2.4
84.04511	4.4
84.08161	2.4
85.02917	1.9
86.09710	4.0
91.05428	5.9
93.19830	0.9
94.04186	4.0
95.04996	2.2
95.08614	1.5
96.68187	0.9
101.02386	2.4
103.05473	2.0
105.07034	2.3
107.04945	6.5
108.05722	1.0
109.06532	4.0
109.10155	1.0
110.07216	1.2
111.02660	1.0
111.04465	1.4
115.05438	1.9
119.04973	2.7
119.08550	1.4
121.06539	1.0
122.03645	10.5
125.06020	2.3
127.96959	3.2
128.06213	3.3
129.07011	7.7
129.10255	1.3
130.05042	2.4
131.04944	4.0
133.10123	1.2
135.04417	3.5
136.05217	8.4
136.95476	1.3
137.05986	100.0
138.06479	1.1
141.06987	1.9
143.04994	2.1
144.05736	2.6
145.06493	4.5
146.07239	1.5
147.04375	1.9
149.05977	3.3
151.03940	2.3
151.07559	61.1
151.98334	3.8
153.05455	3.0
157.06508	12.3
158.07286	9.0
159.08052	3.3
160.05176	2.8
161.05974	3.6
163.07574	2.2
165.05544	2.5
165.09113	2.4
167.07114	1.8
170.07211	1.2
171.07982	3.0
172.05202	3.0
172.08862	8.9
173.06017	8.5
173.09358	1.0
174.06779	7.4
175.07530	10.1
177.05522	1.7
177.09120	3.0
178.23659	0.9
179.07053	4.2
179.08556	1.8
180.07776	1.0
181.06566	0.9
182.07315	1.8
185.06000	1.8
186.03325	1.0
186.06818	2.7
187.07544	20.6
188.08336	18.6
189.07246	2.0
189.09132	16.9
190.96034	1.5
191.06975	1.8
191.08594	2.0
193.08601	1.1
198.06761	1.5
199.07568	2.7
201.05479	7.3
201.07227	2.3
201.09123	44.4
202.07768	3.1
202.09804	3.6
203.08629	3.0
203.10654	19.2
205.06512	2.0
205.08490	1.7
207.08165	4.2
208.08788	1.7
209.76143	1.0
210.06929	1.4
211.07550	2.2
213.09096	5.7
215.08603	2.1
217.08578	11.3
218.07245	3.6
219.08078	8.7
219.09975	1.6
220.05270	1.9
220.08778	1.3
221.06155	1.3
221.09653	3.6
222.06546	1.0
222.10204	1.2
223.07532	1.6
224.08331	1.4
225.09106	4.0
226.06354	1.3
227.07056	1.5
231.08063	8.0
231.10146	33.9
232.08734	2.8
233.09593	11.5
234.06812	2.0
234.10451	4.1
235.07516	6.6
236.08385	1.8
237.05423	1.4
237.09096	1.6
239.07013	2.8
241.08620	10.6
243.08098	1.6
245.09639	4.2
246.10417	7.0
247.07547	13.2
248.08379	4.6
249.09146	4.4
250.09900	2.2
251.07103	1.4
251.10699	5.6
253.08617	3.6
254.09319	5.8
255.06538	2.2
259.07599	2.6
260.08377	1.8
261.09113	16.9
262.07050	1.6
262.09900	13.9
263.07092	6.7
263.10654	7.1
264.07736	4.5
265.08661	2.5
265.12305	2.6
267.10175	8.1
269.08218	7.6
270.08914	4.5
273.09186	3.2
274.09906	10.5
275.07083	2.8
275.10663	7.0
276.07840	4.0
277.08563	4.6
277.12259	8.7
278.09619	4.8
278.12393	1.5
279.06815	1.5
279.10184	11.9
280.07440	1.2
282.03510	1.9
282.08881	1.9
284.10416	22.3
285.11230	13.1
289.08691	2.8
290.06412	1.3
290.09424	6.1
291.10181	19.7
292.10751	1.7
293.08438	1.1
293.11743	15.7
294.12396	7.9
295.09769	9.5
297.11374	4.6
305.08322	1.4
305.11694	32.9
306.09079	1.1
306.12485	20.8
307.09671	12.7
307.13077	1.7
309.11237	2.2
310.08466	1.6
310.11972	24.4
311.12680	4.4
319.13330	1.4
321.11258	2.0
322.08551	1.5
322.12036	10.0
323.09116	3.3
323.12650	1.5
325.14328	30.1
327.16037	1.4
337.10876	2.9
337.14352	63.7
338.14633	1.8
355.11630	3.8
355.15439	31.0
355.19873	2.0
356.15729	1.7
357.99918	1.1
368.44077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1178
Annotation	Ponganone IX
Peak:m/z	Relative Intensity
50.67377	0.8
53.03958	1.3
55.01866	2.1
55.05507	4.0
56.05038	3.1
58.50098	1.0
58.65511	0.9
60.04518	1.4
65.63320	0.9
69.07074	2.3
70.06595	16.4
71.06924	1.3
72.08153	20.6
73.04745	3.1
73.08476	1.0
74.00683	1.0
74.06061	2.9
79.05508	2.1
81.07066	1.4
83.06113	1.1
84.04510	4.7
84.08148	26.8
85.02890	2.2
85.08456	1.3
86.09712	17.8
87.05596	1.5
88.03987	2.6
89.03928	2.0
91.05397	16.7
91.05917	1.8
94.04163	1.6
95.04950	3.3
97.02865	1.4
102.04688	4.8
102.05496	1.1
103.05463	6.4
105.07027	3.5
107.04957	2.2
109.06523	1.5
110.07168	5.6
112.08728	1.2
115.05462	3.7
116.07128	2.0
117.03415	1.1
117.07050	1.2
119.04947	14.9
120.08097	5.1
121.06481	2.6
122.03646	3.1
123.04446	2.6
124.05219	4.5
129.10245	11.8
130.04161	5.6
130.04996	2.1
131.04945	4.7
132.10152	1.3
133.02859	1.7
133.06479	4.5
135.04384	2.2
136.07576	3.4
137.05989	43.1
143.04921	3.1
145.06482	5.0
146.03625	2.1
147.04417	17.0
149.05986	8.5
150.06760	4.6
151.03920	2.6
151.07625	2.5
155.11780	1.1
158.03658	5.6
159.11322	4.3
160.05186	1.7
160.11667	1.2
161.05975	9.7
162.03142	1.8
162.06773	16.0
165.05569	1.2
165.06961	2.3
166.72133	1.3
171.04431	1.5
173.06006	10.0
175.03917	13.0
175.07446	2.1
175.11136	7.8
177.05490	8.9
177.07024	3.0
178.07813	3.7
179.07037	2.3
180.07843	3.8
186.03114	7.3
187.07596	2.1
188.04710	1.6
189.05447	4.8
189.07030	7.8
190.07751	2.2
191.07007	1.6
191.08583	2.4
193.04961	4.2
193.06552	1.2
194.07249	2.5
195.07993	1.2
197.16518	3.0
199.04010	1.4
201.05479	100.0
202.05862	1.6
203.07060	4.9
205.06413	9.1
206.07314	6.0
207.06572	3.5
211.07458	1.1
213.05501	3.4
213.36752	1.1
217.06471	4.4
218.07294	3.1
219.08076	2.7
221.05865	3.3
221.09740	1.2
222.06799	3.5
223.07567	3.0
224.17693	1.1
231.06363	5.4
233.05943	8.4
234.06741	14.3
235.07542	5.8
237.09122	3.5
245.05997	5.7
247.07584	2.0
248.08287	1.6
249.05534	2.1
249.09073	6.3
250.06306	4.7
251.07036	4.5
261.05576	2.0
262.06271	9.1
263.07065	6.1
264.07736	2.4
265.05591	1.0
265.08588	5.1
266.09500	1.4
267.06546	1.3
267.10001	1.0
268.97797	1.8
273.05484	4.3
273.17935	1.6
273.68018	1.7
277.05487	1.4
277.08630	12.5
278.05783	1.9
278.09048	1.2
279.06534	3.0
280.07547	1.4
285.00998	4.7
290.05792	8.2
291.06555	1.7
292.07303	4.0
293.07938	5.2
294.08777	2.2
295.09683	5.0
305.08093	15.3
307.06326	2.4
307.09641	4.4
309.11182	5.7
319.09515	1.5
322.08319	4.2
323.09174	29.8
325.10635	6.3
337.10709	16.1
337.25879	1.2
355.07352	2.2
355.11728	12.7
355.17279	2.1
355.27097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1179
Annotation	Ponganone IX
Peak:m/z	Relative Intensity
53.03949	2.6
55.01869	4.0
55.05511	2.7
56.05020	4.1
60.04521	1.4
61.01172	1.4
65.03931	2.7
69.03429	1.3
69.07052	4.5
70.06599	30.0
70.69643	3.4
71.90966	1.3
72.08161	20.8
73.04730	3.3
74.00667	1.3
74.06073	3.1
77.03954	1.7
78.04724	1.2
79.05489	2.5
81.03402	1.4
81.07058	2.2
83.06109	3.2
84.04516	9.4
84.08150	25.0
85.02927	2.6
85.06547	1.3
86.06059	1.5
86.09720	30.8
87.10086	1.4
88.03977	1.9
89.03904	1.7
91.05423	26.2
93.04599	1.0
93.07039	2.3
94.04167	1.4
95.04988	6.3
97.02912	1.1
98.06058	1.5
98.70754	1.3
102.04701	22.8
102.05427	2.4
103.05476	19.3
105.03407	2.1
105.04532	1.2
105.07050	9.7
106.04176	3.6
107.04948	3.4
108.71615	1.0
109.06532	1.4
110.02345	1.2
110.07175	11.1
112.08758	2.3
112.85988	1.1
113.07139	2.8
115.05457	5.1
115.08681	2.4
116.07107	2.9
117.03391	1.7
118.04201	1.8
119.04965	21.1
120.08109	10.6
121.06503	4.1
122.03658	3.4
123.04424	4.9
124.05226	2.8
127.05029	1.8
129.10254	13.2
130.04166	18.9
130.05017	1.5
131.04947	10.5
133.02820	2.9
133.06497	6.3
134.03616	2.3
135.04449	2.5
136.07550	3.8
137.05992	40.4
143.11815	1.3
145.06465	4.0
146.03673	3.8
147.04425	28.9
148.02548	1.2
149.06003	27.7
150.06778	5.4
151.03929	2.4
151.07553	3.0
152.08282	1.2
156.07710	3.1
158.03624	6.2
160.05196	3.3
161.06015	15.5
161.71465	1.0
162.03186	3.2
162.06795	33.2
163.03987	1.7
165.05565	1.7
165.06973	1.7
171.04359	1.4
173.06029	10.1
173.12962	1.6
175.03917	14.0
175.07549	1.7
175.11115	1.5
177.03212	2.3
177.05499	28.5
177.06990	2.3
178.06233	2.7
178.07800	3.5
179.07079	1.5
180.07823	4.2
182.12914	2.7
183.11324	1.8
186.03120	8.7
187.07611	1.5
188.04669	1.6
189.05435	3.0
189.07027	6.7
190.07835	2.3
191.07057	1.6
191.08618	2.8
193.04994	17.6
194.07239	2.3
197.16597	1.6
201.05493	100.0
202.05829	2.3
203.07082	3.1
205.06564	10.0
206.07304	5.9
207.08047	3.2
212.14059	2.2
213.05499	4.5
217.06480	3.2
218.07243	4.2
219.08087	6.0
221.05978	2.3
221.09689	1.7
222.06885	5.4
222.08775	1.3
223.07539	3.0
231.06532	8.5
233.05983	7.9
234.06760	12.4
235.07530	6.1
237.09215	4.7
240.13509	1.3
245.06003	6.5
246.06805	2.0
247.07425	2.8
248.08223	1.3
249.05388	2.7
249.09128	6.9
250.06268	4.8
251.07083	5.4
261.05405	2.8
262.06299	11.4
263.07141	5.7
264.07758	1.9
265.08646	5.5
266.09515	2.2
268.97876	2.3
273.05447	4.0
274.06042	1.5
277.05438	1.9
277.08615	12.2
278.05826	2.0
278.09494	1.5
279.06558	4.3
279.09958	1.2
280.07278	1.8
285.00925	4.3
287.06912	1.5
290.05646	8.0
291.06668	2.1
292.07327	3.2
293.08054	4.6
294.08823	1.9
295.09747	2.5
305.08090	18.8
307.06229	1.7
307.09613	4.7
309.11169	3.7
316.63605	1.2
322.08276	3.8
323.09164	93.2
324.09525	3.9
325.10608	7.0
327.12259	1.3
337.10718	17.2
355.07065	3.7
355.11728	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	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
51.66795	0.6
55.05266	0.8
55.05515	10.9
56.05032	1.2
57.05814	1.9
57.07082	11.9
58.02957	1.5
58.06606	16.1
60.04530	2.9
63.14544	0.6
67.05508	7.4
69.07075	17.5
69.87065	3.0
70.02962	3.2
70.06596	6.7
71.04982	1.4
71.08635	8.1
72.04510	2.4
72.08148	1.3
74.06078	2.2
79.05467	1.7
80.73236	0.5
81.07063	13.6
82.06568	1.8
83.04972	1.1
83.08624	10.5
84.08144	5.2
85.06540	0.7
85.10186	3.9
86.06077	5.9
87.06848	0.9
93.07038	2.5
95.04965	0.6
95.08614	14.7
96.08125	1.2
97.06538	1.1
97.10188	7.2
98.06017	0.7
98.09667	1.5
98.21198	1.4
100.07589	0.8
105.07070	0.6
107.08595	1.4
108.08163	0.7
109.10170	7.8
111.11730	4.7
112.07609	1.1
112.11262	1.1
121.10208	0.9
123.08072	0.8
123.11701	3.4
125.13271	2.1
126.09140	0.9
128.67548	0.6
135.11714	0.8
137.13257	1.1
163.14934	0.5
204.47285	0.5
268.30072	1.1
294.31607	3.3
306.31519	3.4
307.29990	2.4
308.30356	0.5
308.33289	4.4
324.32596	1.3
326.34027	3.5
336.32626	13.4
337.31000	1.8
354.33676	100.0
355.34174	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	354.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72139	0.4
55.01866	1.1
55.05498	1.2
56.05041	6.9
57.03425	0.4
61.01156	3.4
69.03435	1.0
69.07058	0.8
70.06600	8.5
71.06921	0.9
71.54530	0.5
72.08167	2.7
74.06062	0.6
79.05482	0.5
81.03439	0.5
81.07044	0.9
83.08609	1.2
84.04515	1.2
84.08148	4.4
85.02918	2.6
86.09709	5.7
87.00842	0.8
88.07635	0.7
91.05476	2.0
93.07050	1.4
95.04971	0.5
95.08591	0.6
96.08132	0.7
97.02893	1.8
102.05536	1.3
103.05485	2.1
104.05338	9.8
105.01882	1.0
105.07034	1.0
107.08611	1.0
108.08135	0.8
108.94029	0.5
110.02428	1.0
110.07166	2.2
116.07104	3.0
118.06573	0.8
119.04968	0.8
119.07355	0.8
120.08114	100.0
121.08453	1.3
121.10188	0.5
122.00892	0.5
122.08585	0.5
127.03909	0.7
129.10245	2.4
130.05029	0.8
130.06494	4.6
130.10617	0.7
132.08118	2.0
133.02274	0.6
133.03214	6.2
133.04124	0.8
133.08862	0.7
134.06065	1.4
134.09642	1.7
136.07622	0.7
137.05984	7.3
138.06325	2.6
145.02882	0.6
147.04427	0.8
148.07585	1.0
150.05843	17.3
150.09109	0.6
152.07103	3.3
157.07658	1.2
160.07570	1.8
161.05891	0.5
161.07132	0.5
163.08699	2.0
175.14876	0.6
177.10245	43.0
178.08649	22.7
178.10316	1.0
182.15520	0.6
186.03290	0.6
201.05501	4.6
205.09740	6.8
218.05394	0.6
225.08731	0.9
234.06656	1.1
237.02844	0.5
247.73152	0.5
249.10205	1.0
265.08621	0.5
267.11371	0.8
268.74695	0.5
275.11743	0.8
277.08755	0.5
280.11804	0.9
281.12827	2.2
292.14426	0.7
293.12836	0.7
297.12701	1.4
300.13531	0.8
303.04990	1.9
305.08414	0.6
308.10522	0.4
310.15643	1.4
322.08127	0.6
326.07617	1.0
337.10712	1.0
351.27115	0.6
352.16278	0.5
354.07065	0.7
354.11508	3.5
354.15475	7.2
358.98438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.9
55.05504	2.3
56.05033	19.5
56.96334	2.0
56.96570	27.1
57.03428	7.4
57.04648	1.5
58.06599	5.6
60.89722	1.7
62.75613	1.6
69.03423	9.3
69.07067	2.6
70.02957	1.7
70.06587	10.2
70.23547	4.5
72.08157	15.0
72.96033	2.4
73.02926	2.8
73.04761	2.7
74.00278	3.1
74.00672	46.7
74.06084	100.0
78.96791	3.5
81.03431	2.6
82.06586	3.5
83.06110	22.6
84.04508	46.6
84.08144	13.6
85.02493	2.0
85.02913	19.4
85.04028	6.8
86.06082	2.3
86.09712	9.8
86.19263	1.7
88.03971	3.6
88.17467	1.7
91.05486	6.8
92.01686	3.8
95.06002	1.6
97.02911	8.5
98.97598	13.7
99.04432	2.5
100.07623	70.3
100.99129	1.8
101.00854	1.9
101.07157	3.2
101.29114	1.6
102.05545	2.2
106.05064	2.4
107.04947	2.8
109.02863	1.8
110.01255	1.9
110.06054	26.1
110.07174	29.5
110.97589	2.9
112.03975	10.0
112.08685	1.7
113.03460	3.6
113.07129	3.0
116.07069	4.2
116.98623	5.9
119.01871	1.6
119.04969	13.5
119.91939	3.3
120.08101	37.5
122.00962	47.6
123.04427	17.3
123.74854	1.8
127.03898	5.7
127.08689	18.5
128.98595	5.6
129.10268	4.2
130.05011	62.2
130.09633	1.7
131.04556	7.4
134.06012	4.1
136.06204	8.2
136.07582	75.5
143.01895	4.2
145.04933	2.4
145.09731	74.7
146.05995	2.2
147.03374	1.7
147.04387	10.2
147.08749	3.6
152.07071	4.6
155.08165	4.3
155.94073	2.4
156.07677	8.2
158.99742	2.5
161.02956	4.1
162.09245	1.9
162.97333	3.0
164.11841	2.8
165.00652	1.7
165.05475	37.5
170.99658	3.3
171.07649	4.1
173.02960	4.9
173.09225	74.7
173.94971	1.8
174.09212	2.3
176.10698	12.7
177.00800	4.0
177.03297	36.7
177.05554	1.9
180.98442	2.8
182.08136	60.4
183.05014	2.8
190.98586	2.1
191.03912	4.7
191.54025	2.3
202.08685	5.2
207.09731	3.4
208.00995	23.6
208.97932	4.1
208.99745	4.3
209.13992	4.6
209.99960	2.4
219.01746	3.9
221.12808	9.6
222.04388	6.3
225.03635	29.7
226.98987	4.9
234.00157	2.7
237.02864	8.0
237.13504	4.0
240.05408	3.8
243.04353	1.7
245.05112	6.1
249.12204	4.2
261.03336	2.3
262.15732	2.2
263.06140	4.4
263.56186	6.8
264.05951	2.5
265.11859	3.5
272.56873	2.1
279.04651	9.4
283.12878	25.7
293.11374	5.2
294.06436	5.3
309.08563	2.4
336.15698	11.7
337.00674	6.1
354.07413	4.0
354.10889	3.1
354.21246	4.1
365.09531	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	354.079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.0
56.05029	2.4
71.00027	2.6
74.00671	95.3
78.96393	1.5
78.96774	7.2
84.04511	71.0
85.04032	15.9
92.01734	6.5
102.05538	1.4
112.03973	21.4
113.03512	4.1
122.00964	87.8
129.06656	2.7
130.05011	100.0
131.04533	14.4
160.00629	3.3
177.03302	77.6
178.03584	1.4
181.06123	2.5
208.00992	43.8
212.09477	1.5
225.03629	55.5
243.04320	5.0
243.75926	1.3
261.03568	2.2
279.04700	15.6
289.05045	1.4
291.04590	2.7
313.99823	1.3
354.07898	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	354.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68195	1.6
60.17887	1.6
67.05498	3.4
70.06577	3.1
70.90151	3.5
70.90491	2.0
72.08152	1.6
84.08134	2.5
86.09690	2.9
86.81852	1.6
94.06590	8.7
106.06571	3.1
108.08102	3.4
118.06544	3.4
122.06030	13.5
124.07578	5.9
130.06534	100.0
132.08104	4.3
134.06026	46.7
134.51474	1.7
135.09151	2.8
136.07579	13.3
138.05455	1.6
140.07082	5.1
142.06586	2.3
144.08080	2.1
146.05997	5.5
149.07091	5.4
150.05515	89.8
152.07076	72.3
154.08723	3.5
157.07628	4.5
158.08397	6.9
159.09189	15.1
161.07132	8.8
162.07845	4.4
163.08675	47.4
164.07072	2.1
168.06500	1.9
169.07637	5.6
175.08707	2.2
178.07230	2.7
178.08647	27.9
180.08115	2.8
181.09761	9.1
188.07051	3.5
189.06554	1.8
201.05385	1.9
205.09714	3.0
207.07619	11.8
219.07594	2.7
221.10681	3.6
225.08708	39.0
232.09836	2.0
237.08710	2.1
247.12273	3.1
248.09442	4.8
249.07903	2.5
249.10263	30.2
263.11844	9.8
267.11295	11.9
275.11798	31.2
279.11395	8.6
280.12045	4.7
281.12845	46.7
292.14465	24.0
293.12781	25.8
310.12125	1.9
310.15536	32.0
354.14648	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01149	10.9
67.05511	5.7
69.03422	19.2
69.86900	13.5
69.87305	10.8
70.06582	11.3
72.00360	4.2
73.01145	5.4
79.05508	4.2
79.52987	3.9
84.04478	4.7
84.08126	7.6
85.02899	19.9
86.09688	17.6
90.01405	27.0
95.01328	23.8
98.21534	5.6
99.04451	4.4
102.00053	4.9
104.98322	21.1
105.01849	5.5
107.05046	6.7
110.07141	6.3
120.08125	10.0
122.99364	100.0
125.05984	17.4
127.03883	4.7
137.05914	7.4
144.15356	4.7
151.07565	5.4
153.05440	14.3
161.16643	4.3
175.14828	8.2
178.08635	28.9
185.81238	4.3
185.83049	4.9
201.09068	7.0
215.05490	28.9
255.89220	4.5
284.10590	4.6
284.87247	4.8
305.11523	5.9
322.08093	4.8
322.12021	4.5
329.46756	4.2
337.14194	7.5
354.11340	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	354.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.7
55.05518	2.8
57.03421	5.0
61.01157	7.6
69.03445	25.2
69.07065	5.2
69.53271	6.8
69.53680	14.7
70.06601	19.5
72.08161	16.6
79.03119	2.4
79.05490	4.9
81.03427	5.3
81.07074	3.7
82.06564	3.4
84.04505	12.1
84.08163	18.5
85.02898	25.7
85.78415	3.1
86.09704	29.7
87.00839	8.9
88.04018	3.3
90.01410	23.0
91.05463	4.1
93.07065	3.1
95.01362	18.5
95.04979	4.5
97.02908	10.9
97.06561	3.7
99.04479	4.4
101.95366	3.4
104.98323	21.4
105.01855	17.8
105.07040	3.6
108.08129	3.1
109.02895	7.9
109.06510	2.9
110.07174	6.8
113.04221	3.3
120.08128	9.1
122.99370	100.0
125.06003	13.9
127.03926	24.4
127.96978	5.2
129.10272	6.8
130.06567	4.7
137.06000	13.6
138.06328	5.2
145.04964	5.4
145.18649	2.8
150.05507	4.4
150.12784	5.7
151.03934	2.8
153.05501	10.6
167.15349	5.1
170.53409	3.0
178.12225	3.3
188.61171	3.2
195.14966	4.2
201.05492	8.4
215.05489	16.7
231.05026	5.9
249.06171	4.1
255.17061	10.6
277.08304	3.1
281.12885	4.0
322.07959	5.6
324.26352	3.1
326.24371	16.2
354.10742	8.0
354.14850	5.7
354.23828	4.0
355.11670	5.3
368.78918	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79605	1.9
53.03951	2.1
55.01865	4.3
55.05516	39.0
57.03440	19.9
57.07083	4.7
59.04985	2.1
67.05508	93.7
69.07072	36.9
69.84665	8.8
71.04995	2.7
71.08634	48.8
73.79546	2.2
78.68372	2.2
79.05065	3.4
79.05495	47.9
81.07061	100.0
83.04970	3.7
83.08614	18.8
85.06532	5.4
91.05482	26.5
93.07057	54.4
95.08610	71.3
97.06522	9.0
97.10172	16.9
99.08106	45.0
105.07024	19.6
107.07956	3.3
107.08607	32.8
109.06542	3.7
109.10166	30.1
111.08074	3.2
111.11700	3.0
117.07017	10.5
119.08580	14.4
121.10151	25.7
123.08044	2.8
123.11729	13.5
125.09639	8.6
131.08574	12.7
133.10118	7.3
135.11720	21.4
137.13223	9.2
145.10149	13.7
147.11702	29.3
149.13284	15.2
151.14882	3.3
153.12752	6.8
159.11702	10.2
161.13246	7.9
163.11104	3.7
163.14876	16.4
165.12752	9.9
167.14362	3.3
173.13271	9.6
175.14825	3.6
177.16437	4.2
181.15852	5.2
187.14783	4.3
189.11223	3.0
209.15077	2.6
233.22678	4.8
243.21092	17.4
261.22150	41.6
263.23526	2.6
279.23245	25.4
297.00183	2.2
335.25870	2.5
353.26907	57.0
354.33536	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	2.3
55.01865	1.2
55.05517	15.5
57.03443	6.0
57.07072	4.1
58.42245	0.9
63.77234	0.9
65.03944	3.3
66.09408	0.8
67.05508	92.0
69.07073	14.3
69.24947	9.4
71.04991	2.7
71.08633	1.4
75.04485	1.3
77.03951	1.2
79.05499	41.3
81.07062	100.0
83.05007	1.4
83.08633	7.1
84.11775	0.9
85.06545	2.7
87.42439	0.9
91.04910	0.9
91.05486	21.5
93.07053	48.0
95.04977	3.4
95.08611	75.1
96.08964	1.3
97.06536	2.8
97.10177	3.1
99.08102	3.0
103.05489	0.9
105.06390	1.2
105.07047	14.8
107.08600	34.9
109.06527	1.3
109.10162	38.1
111.08064	1.9
111.11733	1.2
113.09694	1.5
114.64148	0.8
117.07023	9.7
119.08591	12.0
121.10148	30.2
123.08073	2.2
123.11713	20.8
127.11165	1.0
127.17100	0.9
131.08575	18.9
133.10132	12.3
135.11699	24.7
137.09619	1.9
137.13252	7.6
139.11194	1.0
145.10127	12.5
147.11697	11.0
149.09750	1.2
149.13272	17.6
151.11243	1.7
151.14833	3.4
157.10132	1.1
159.11716	12.1
161.13257	7.8
163.14838	13.2
165.12798	1.3
173.13257	15.3
175.14816	3.1
177.12674	1.3
177.16386	4.5
179.14304	1.1
187.14795	8.2
191.14322	1.5
198.90546	0.9
201.16374	2.0
205.15921	1.5
233.22630	2.8
243.21135	18.7
261.22156	81.2
262.22565	2.0
273.68890	0.9
279.23248	7.1
317.24869	1.4
335.25845	9.1
353.26871	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55580	1.4
53.03938	5.0
55.05515	15.8
57.03432	5.5
57.07061	5.5
65.03930	2.6
65.46529	1.3
67.05508	100.0
69.07074	13.7
71.04985	4.9
71.16817	1.8
71.17141	1.7
79.05497	46.8
81.07062	99.6
82.07365	1.7
83.04990	2.3
83.08595	8.2
85.06541	2.7
91.05482	26.5
93.07050	68.2
95.04970	2.4
95.08611	75.6
97.06541	2.6
97.10157	4.5
99.08075	1.9
105.07034	19.3
107.08601	42.8
109.06525	1.7
109.10159	37.1
111.11745	1.5
117.07004	9.2
119.08582	16.7
121.10146	33.7
123.07992	1.4
123.11716	21.1
131.08582	23.6
133.10118	15.8
135.11708	30.2
137.13310	6.6
145.10120	15.3
147.11691	10.2
148.12006	1.4
149.13278	22.1
151.14819	3.1
153.12709	1.4
159.11697	18.8
161.13280	12.1
163.14841	11.6
165.12805	1.7
171.45016	1.4
173.11905	2.1
173.13274	18.1
175.14827	3.5
177.16307	3.8
187.14844	8.7
191.14297	1.6
201.16377	2.1
205.15883	1.9
233.18930	1.5
233.22659	4.7
243.21098	27.4
261.22159	98.5
262.22626	3.6
279.23212	5.2
335.25729	6.3
341.49249	1.2
353.26807	24.9
354.27097	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.1
57.03425	7.2
57.07064	4.0
65.03915	3.0
67.05508	97.8
69.07082	13.3
69.76303	13.8
79.05060	3.1
79.05495	38.1
81.07057	100.0
83.08603	7.0
91.05480	16.9
93.07050	53.9
95.08605	72.4
96.28417	2.7
97.06546	5.0
97.10188	2.9
99.08109	2.8
104.37157	2.2
104.37888	3.1
105.07040	17.2
107.08595	35.3
109.10157	33.7
113.09605	3.2
117.07018	8.4
119.08590	12.9
121.10132	30.9
123.11724	22.8
131.08582	23.8
133.10138	12.8
135.11732	24.9
137.13275	5.5
145.10121	14.9
146.35468	2.6
147.11673	8.0
149.13258	18.9
151.14801	2.7
153.12671	2.5
159.11699	14.3
161.13219	7.7
163.14778	12.7
173.13292	19.9
175.14813	3.4
177.16339	4.9
183.29747	2.3
187.14804	10.4
220.14568	2.4
233.22560	3.0
243.21107	22.4
261.22153	89.0
279.23178	8.8
320.46866	2.5
335.25748	15.1
353.26868	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03955	3.1
55.05522	12.7
57.03438	2.7
57.07076	4.2
57.56938	1.8
60.52226	1.9
63.21733	1.9
67.05509	84.5
67.05875	4.3
69.07064	11.8
69.33615	16.2
69.33936	2.7
79.05499	47.9
81.07060	86.1
83.08613	4.2
91.05496	17.8
93.07056	49.6
95.08617	63.5
97.10215	3.3
105.07049	16.3
106.94360	2.2
107.08595	34.1
109.10162	31.2
117.07011	8.5
119.08588	12.0
121.10149	26.8
123.11722	21.6
131.08603	18.8
133.10133	13.5
135.11703	23.4
137.13268	6.4
145.10155	14.3
147.11720	10.3
149.13275	17.2
151.11163	2.0
151.14824	2.9
159.11684	14.3
161.13286	9.2
163.14796	10.6
173.04285	2.1
173.13304	13.4
175.14830	4.1
177.16415	2.9
187.14838	8.7
197.83040	2.3
233.22568	3.8
243.21109	26.2
261.22171	100.0
279.23242	4.5
300.78482	2.0
335.25824	7.1
353.26846	25.2
376.16479	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	3.6
55.05508	12.9
57.03440	6.5
57.07091	4.4
65.03940	4.7
67.05508	94.3
67.46474	2.0
69.07071	11.7
71.05011	3.1
71.16621	4.5
75.04509	2.4
77.79605	2.2
78.74285	1.9
79.05497	42.4
81.01316	2.1
81.06583	5.7
81.07061	99.0
83.08633	6.6
91.05469	20.6
93.07048	50.5
95.04973	2.9
95.08611	70.0
97.06526	2.4
97.10143	3.5
105.07031	14.6
107.08607	32.1
107.37028	2.5
109.06567	3.2
109.10179	34.2
111.08119	2.5
117.07034	5.5
119.08592	14.3
121.10145	32.0
123.11723	19.8
131.08554	15.4
133.10135	13.2
135.11699	19.8
137.13268	8.9
145.10121	14.2
147.11684	7.9
149.13264	19.0
159.11699	14.3
161.13283	7.5
163.14864	14.2
173.13237	14.5
175.14938	3.3
177.12752	2.5
177.16461	3.6
187.14871	10.1
201.16470	2.5
233.22685	4.0
243.21097	22.9
261.22156	100.0
279.23169	6.3
335.25833	8.4
353.26889	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.05516	13.0
55.17878	1.8
55.98854	1.7
57.03442	3.7
57.07074	3.7
65.03934	4.3
67.05509	80.4
69.07069	11.2
70.05388	8.8
79.05494	37.8
81.06580	4.2
81.07060	85.2
83.08606	7.6
91.05486	21.8
91.06019	2.9
93.07050	60.1
95.08615	61.5
97.06545	2.7
97.10162	2.4
105.07036	14.9
107.08607	39.9
109.06506	2.3
109.10162	29.1
116.40072	1.6
117.07014	8.3
119.08604	14.3
121.10153	35.1
123.11716	20.5
131.08571	16.4
133.10156	9.8
135.11685	23.3
137.13272	10.3
145.10147	15.9
147.11681	8.1
149.13255	18.5
151.14816	3.4
159.11700	15.4
161.13254	8.2
163.14832	10.9
173.13271	15.4
174.34010	1.9
175.14813	2.5
177.16339	3.7
187.14879	10.5
201.16377	4.3
233.22581	5.5
243.21082	21.3
261.22153	100.0
262.22522	2.0
279.23245	2.7
335.25784	7.4
353.26901	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0847
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
54.12236	2.4
54.30954	2.7
56.96564	4.5
57.03437	3.6
59.90496	2.2
66.84650	2.4
69.03436	5.7
70.06795	7.9
73.25808	2.3
73.41212	2.7
79.44794	2.4
85.02900	9.9
97.02925	2.7
98.20862	4.0
98.97584	5.4
100.94080	2.9
100.99155	4.2
101.00932	4.2
110.97552	2.5
119.01913	5.7
127.02490	5.2
127.03951	6.7
128.98631	3.7
143.01852	5.9
145.03517	19.1
146.99690	3.0
147.66484	2.9
157.03467	11.1
161.03003	3.1
172.97606	3.3
173.02971	10.6
185.02983	7.8
190.98691	6.4
191.04030	15.2
192.01872	3.4
208.99783	5.9
226.81944	2.7
232.99765	8.8
233.05054	16.2
234.02744	17.3
244.99866	2.7
245.05009	12.3
246.02934	3.2
251.00726	5.9
251.06178	4.0
263.06183	7.8
291.14618	3.2
330.22580	3.0
353.04099	5.8
353.08481	100.0
354.08777	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	353.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29659	0.3
52.27567	0.3
55.01865	0.5
55.05516	1.1
57.03436	0.6
58.99596	0.5
59.96730	1.1
61.01157	1.3
67.05505	0.8
69.03435	3.3
69.07066	0.8
70.06609	0.7
70.99571	0.3
71.55556	0.5
72.08166	0.6
73.01147	100.0
74.01469	0.5
78.96780	3.9
79.05519	1.7
81.03410	0.6
81.07056	1.7
82.80453	0.4
83.01349	0.5
83.04962	0.3
84.08160	0.7
85.02912	3.4
86.09734	0.4
87.04436	0.3
91.05479	0.6
93.07069	1.0
95.01333	5.1
95.04989	1.1
95.08604	0.5
97.06544	0.8
100.11285	0.5
104.98326	4.0
106.99156	0.8
106.99886	15.1
107.04986	0.4
107.08632	0.7
109.06530	2.8
109.10156	0.4
110.93974	1.1
111.04475	0.4
111.08083	0.4
112.52415	0.3
113.02395	1.6
113.04271	1.1
113.06011	0.4
116.61290	0.3
116.98360	0.3
121.10190	0.6
123.04495	0.8
125.06010	2.4
127.03961	0.9
129.10240	0.4
137.05995	2.5
138.97076	2.2
141.05551	0.4
142.99850	0.4
143.07051	0.6
144.08160	0.6
145.10139	0.5
148.95390	0.4
153.05489	4.0
158.00468	0.3
167.07071	0.6
168.98114	0.6
169.05029	0.7
179.00201	0.3
183.01190	0.5
193.08656	1.4
215.05507	3.0
222.65407	0.3
227.09164	0.4
230.98079	0.4
237.07687	0.4
237.41127	0.3
255.08784	0.5
272.14645	1.0
288.32706	0.4
307.01266	0.5
353.10214	0.8
378.42654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52221	0.8
53.03935	1.0
55.05520	0.8
57.03414	1.4
58.99593	0.8
59.96719	1.1
61.01155	1.2
67.05495	1.3
69.03432	8.8
69.07066	1.3
70.06605	1.3
70.19160	3.3
72.08144	0.9
73.01144	100.0
78.88603	0.7
78.96774	3.3
79.05471	2.7
81.03419	1.2
81.07045	2.2
83.04958	0.8
84.08146	1.6
85.02902	6.7
86.09699	1.6
91.05492	1.4
93.07037	1.6
95.01334	10.4
95.04965	2.4
97.02880	1.1
97.06528	1.9
104.98326	4.6
105.07059	1.1
106.99877	13.8
107.08574	1.3
109.06503	2.9
109.10177	1.2
113.02368	2.8
116.52097	0.8
116.98373	0.9
119.08561	0.9
121.06554	0.9
123.04414	1.3
125.06004	8.0
127.02142	2.4
127.03916	1.8
129.10208	1.3
136.08894	1.1
137.05994	4.4
138.07773	0.8
138.97131	1.9
139.05800	1.6
153.05476	10.1
157.04973	1.7
169.04964	1.2
171.02965	1.4
187.06049	0.8
193.08690	1.9
197.04568	0.8
199.02489	2.0
215.05487	7.1
227.09041	0.9
353.10202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.3
56.05030	7.2
58.02959	9.8
58.06594	6.5
59.69368	5.0
64.88985	5.3
67.05013	3.2
67.05150	5.3
67.05507	56.3
69.07074	31.9
69.30119	28.5
69.30530	7.9
70.06601	60.4
72.08160	6.8
75.75571	4.3
79.05491	35.3
80.27290	3.6
81.05766	4.3
81.07061	56.1
82.06602	21.5
83.04951	4.9
83.08635	8.0
84.04507	9.5
84.46111	3.7
91.05477	15.4
93.07061	27.9
94.06572	14.4
95.04984	5.8
95.08622	28.7
96.08131	17.6
97.10147	10.7
105.07032	8.4
107.08593	16.8
108.08112	8.9
109.06506	4.4
109.10164	19.1
114.88853	4.2
119.08555	9.5
121.10159	7.9
123.11727	6.5
126.12790	41.5
135.11723	5.5
137.13261	6.0
145.10152	4.5
152.14328	4.8
154.12270	15.3
156.13716	5.0
166.15916	36.4
180.13792	6.5
202.06804	4.3
212.16473	47.6
220.17006	10.8
240.15932	5.8
252.19635	58.6
266.08115	4.2
333.09445	4.0
334.27432	12.9
335.29178	8.1
352.28485	100.0
352.32498	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	353.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
54.94564	0.4
55.05522	0.8
57.03431	1.0
57.73659	0.3
58.99595	0.6
59.96731	1.1
61.01159	0.8
65.03947	0.7
67.05499	1.4
68.49503	0.4
69.03439	4.2
69.07092	1.1
69.26293	1.2
69.26691	2.4
70.06599	1.6
73.01148	100.0
76.04606	0.4
78.96785	3.6
79.05489	1.5
81.03440	0.5
81.07061	2.4
83.01353	0.5
83.04966	0.7
84.08183	1.0
85.02914	4.7
85.06528	0.5
86.09708	0.6
91.05512	1.5
92.77982	0.4
93.07067	1.7
95.01335	8.0
95.04992	1.2
95.08630	1.1
96.92432	0.5
97.06544	1.5
99.04434	0.5
103.97527	0.6
104.98314	4.0
105.07060	0.9
106.99890	14.5
107.08614	1.8
109.02921	0.6
109.06544	1.8
109.10181	0.8
111.02641	0.4
111.08105	0.5
113.02368	2.2
113.04319	0.5
113.06026	0.4
116.07148	0.4
119.08613	0.8
120.08171	0.7
121.10180	1.2
123.04480	1.2
125.06017	4.8
127.02192	0.7
127.03951	1.2
129.10307	0.6
131.08607	0.6
137.05969	2.5
138.97046	1.9
141.05513	1.2
145.10144	0.6
149.69090	0.4
153.05467	5.5
163.11205	0.6
167.07132	0.6
169.04994	1.0
182.69797	0.5
191.14291	0.6
193.08658	1.0
199.02580	1.0
215.05521	3.9
227.09029	0.5
247.02562	0.5
255.08849	0.5
321.07886	0.5
321.11411	0.5
353.14188	0.7
353.19235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81633	0.3
53.39582	0.3
55.01656	0.3
55.01876	2.9
55.05495	0.6
57.07064	0.3
58.99586	0.9
64.14256	0.3
66.95111	0.3
69.07031	0.4
70.03006	0.3
70.06596	1.2
72.08147	0.5
84.04488	1.0
84.08125	1.1
85.01133	2.9
86.09698	1.1
86.62425	0.3
89.07695	0.3
89.29287	0.3
91.05476	0.7
94.06535	0.3
99.02679	0.7
100.11274	0.8
104.04972	0.6
104.98352	0.6
106.06577	0.4
110.93949	0.5
112.07626	0.4
117.05762	0.9
118.06555	10.9
119.07332	8.4
120.08102	0.7
126.03708	0.4
127.02163	0.8
128.02930	0.6
129.10231	0.7
134.06055	0.5
135.06747	0.4
140.05270	1.1
140.07085	0.5
142.42110	0.3
145.05194	0.8
150.03741	6.6
151.04512	1.2
152.05354	1.9
154.12285	2.1
162.05547	1.7
162.10097	0.3
163.06306	6.0
164.07036	0.6
168.04822	1.3
172.04636	0.4
173.06792	0.4
178.03244	0.7
179.03911	0.5
182.11797	0.8
182.15402	0.5
196.04295	100.0
197.04825	2.3
198.05840	0.7
228.15926	1.4
229.16319	1.3
260.04123	1.2
281.18753	0.7
288.07288	0.6
289.30176	0.4
339.97006	0.3
351.74475	0.7
352.25861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.7
56.05029	2.7
57.05817	1.3
57.62953	0.6
60.04526	17.0
67.05516	0.6
69.03419	1.1
69.07072	2.1
69.59922	3.8
70.02953	0.9
70.06593	9.4
72.08157	100.0
72.84940	0.6
73.08492	1.1
74.00642	0.7
74.02445	0.9
74.06088	0.9
81.03439	0.7
83.04989	1.0
84.04524	3.6
84.08140	9.7
85.02899	1.0
86.09712	14.4
87.05601	2.6
87.10071	0.7
91.05482	2.2
96.04495	0.6
97.02909	1.0
102.05552	1.4
103.05490	1.2
104.07168	0.7
106.04985	0.5
107.04943	0.9
110.07191	2.7
111.09242	1.6
114.09180	1.8
115.08698	0.9
116.07122	1.2
119.04945	1.7
120.01168	1.3
120.08109	46.4
120.35462	0.6
122.59894	0.6
125.14289	0.6
127.03971	1.3
129.10248	5.6
130.05042	0.8
131.04958	1.3
131.08125	0.6
132.10175	0.9
136.06213	23.8
136.07594	10.2
141.10233	1.6
143.08183	2.6
143.11835	0.9
144.08118	1.6
148.06183	0.9
148.07599	1.1
150.87807	0.9
155.10728	1.2
156.63622	0.7
159.11290	18.7
161.71278	0.7
166.08649	31.2
169.09784	1.2
172.07547	0.8
185.08261	1.3
187.10788	24.3
189.12442	0.8
193.08104	0.8
193.09761	3.0
202.10912	2.3
207.06293	0.7
207.11325	4.6
220.11955	21.4
221.09390	0.8
235.10905	2.2
237.13536	0.7
253.11838	28.4
266.46671	0.6
334.17493	0.8
352.16293	1.0
353.10275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.2
55.01873	2.9
55.05263	1.4
55.05516	19.2
57.03448	14.3
57.07084	4.3
62.66479	0.9
65.03936	2.5
67.05511	52.6
67.61481	0.9
69.03448	1.7
69.07079	18.0
71.05002	2.4
71.08638	54.4
71.19002	2.3
72.08155	1.1
72.77522	1.0
73.19724	1.0
79.05501	46.3
81.03430	6.4
81.07065	56.2
82.07415	1.6
82.89349	1.0
83.04997	10.5
83.08627	10.0
84.55305	1.1
85.06542	3.0
88.37582	1.1
91.05488	32.0
93.07053	59.4
95.04984	12.0
95.08616	36.8
97.06531	10.1
97.10181	4.2
99.08103	36.1
100.98492	1.0
101.05968	1.1
105.04517	1.1
105.07040	24.5
107.04951	9.2
107.08606	32.8
109.06524	5.0
109.10162	13.7
111.08107	2.2
113.09644	2.5
117.07050	6.2
119.08593	19.5
121.10150	30.3
123.08041	1.0
123.11708	3.1
127.11186	2.4
129.07047	2.6
131.08600	6.2
133.10130	14.9
135.08102	1.1
135.11708	33.6
137.06000	1.4
137.09666	3.8
141.09134	3.3
143.08572	4.0
145.10092	7.0
147.11717	8.8
149.09636	1.5
149.13268	12.9
151.11195	21.1
151.12354	1.6
153.09035	1.3
153.12762	2.5
157.10152	2.4
159.11722	6.2
161.13272	13.9
163.11246	5.8
163.14767	2.6
167.10677	2.2
171.11781	3.2
173.13284	1.7
175.11259	1.1
175.14830	3.0
177.12816	3.8
179.14325	100.0
180.14653	1.3
181.12292	1.3
185.13318	3.3
187.14796	1.0
189.12762	3.0
192.03923	1.0
199.14857	2.4
203.14409	1.3
213.16452	1.3
221.15421	3.4
231.17500	1.5
231.20912	1.3
235.16974	3.9
241.19521	3.7
259.20612	7.6
272.44519	1.1
277.18594	1.3
277.21643	35.9
351.25357	32.7
352.25751	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.02318	1.7
55.05518	16.9
57.03436	7.5
65.03937	3.5
67.05177	3.0
67.05511	47.0
69.07077	13.1
70.18861	4.8
70.19235	3.7
71.05000	2.9
75.04485	3.4
79.05064	3.5
79.05502	61.8
81.07063	50.8
81.07814	1.9
83.08601	5.9
85.06548	4.3
91.05487	56.9
93.07050	75.9
95.04974	7.3
95.08614	36.7
97.06543	4.6
105.04546	2.3
105.07030	56.9
107.08605	37.9
109.06489	3.1
109.10159	15.1
117.07003	15.0
119.08590	51.7
121.10162	36.8
123.11709	5.6
127.68035	1.9
128.06209	2.4
129.07002	11.0
131.08577	20.7
133.10130	50.9
135.11691	38.0
137.09560	2.3
143.08588	8.8
145.10141	24.2
147.11694	48.1
149.09631	2.2
149.13269	20.6
157.10121	12.1
159.11716	20.3
161.13269	37.5
163.11177	5.0
163.14827	6.5
171.11732	13.7
173.13222	9.8
175.14868	14.2
177.12744	3.6
179.14357	2.5
185.13251	13.3
187.14856	3.4
199.14809	7.1
213.16374	3.2
217.19456	2.5
231.17531	3.3
231.21046	8.3
241.19540	30.5
255.51480	1.8
259.20590	100.0
277.21652	4.8
333.24390	2.6
351.25357	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
53.28910	1.3
55.01875	6.8
55.05511	20.9
57.03434	8.8
57.07074	4.8
65.03927	1.5
67.05510	47.7
67.29223	1.5
69.03411	1.7
69.07071	20.2
71.04986	4.6
71.37260	2.4
73.01144	1.7
73.88528	1.5
75.04481	3.6
78.94196	1.2
79.05495	70.1
81.07061	83.5
83.04968	5.2
83.08610	9.3
84.04518	1.8
84.08155	2.3
85.01123	2.5
85.06549	5.0
91.05483	56.9
93.07048	86.4
95.04992	6.7
95.08618	46.3
97.06551	4.2
97.10181	3.6
99.08102	5.4
105.07036	64.6
107.07865	2.7
107.08599	55.7
109.06525	16.1
109.10155	17.7
111.03747	2.1
111.04440	13.0
111.08116	2.7
113.04234	4.4
113.09644	2.9
115.05420	1.7
117.07054	11.6
119.08591	59.2
121.10149	45.8
121.11044	2.9
123.08102	3.1
123.11719	5.8
125.06001	4.1
128.06224	2.0
129.07002	9.6
131.07700	2.7
131.08582	24.1
133.10141	47.5
135.08072	4.5
135.11702	46.3
137.05986	100.0
137.09567	1.7
137.13257	3.9
138.06364	1.4
142.07784	1.7
143.08609	10.7
144.09265	1.3
145.10121	22.6
145.11171	2.5
147.08075	2.9
147.11693	54.3
149.09641	7.7
149.13271	28.6
151.07509	2.5
151.11171	2.9
157.10141	10.8
159.11681	20.8
161.09656	6.8
161.13271	41.2
163.11214	6.0
163.14857	8.8
165.09109	1.8
165.12814	1.8
171.11688	14.9
173.13274	11.3
175.11192	6.1
175.14856	20.7
177.12775	2.6
177.16458	1.7
179.10678	2.0
185.00644	2.4
185.13295	12.9
187.00261	2.1
187.14836	3.6
189.12772	4.8
191.14326	2.3
193.12267	1.9
195.13872	1.7
199.14809	7.9
201.16434	1.6
203.14369	4.1
203.18001	5.4
207.13887	2.0
213.16402	4.7
215.17950	2.8
217.15923	3.2
217.19446	7.0
231.17442	12.0
231.21071	9.8
241.19510	37.1
249.18547	9.3
259.20596	95.3
260.20984	1.8
261.22052	1.5
277.18018	32.2
277.21634	19.6
295.18954	9.1
333.24286	7.9
351.21515	10.7
351.25348	64.1
352.25842	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.0
53.03944	4.2
55.05514	15.8
57.03431	7.1
57.07065	2.8
67.05177	3.3
67.05510	44.3
69.07068	14.8
71.04965	2.3
71.18736	3.9
75.04474	2.0
79.05064	3.7
79.05499	63.7
79.12917	2.0
81.07062	55.8
83.04958	2.8
83.08617	8.3
85.06528	3.3
86.09679	2.3
91.05488	56.3
93.07050	86.9
95.04953	5.6
95.08613	37.0
97.06529	4.8
99.08073	3.6
105.04524	1.8
105.07034	59.8
107.08606	53.0
109.06491	2.4
109.10157	11.7
111.11653	2.2
113.45676	2.2
117.06992	10.3
119.08588	55.9
121.10146	41.5
125.09652	1.9
129.07051	9.4
131.08578	24.5
133.10136	49.0
135.08099	3.3
135.11702	40.3
143.08571	12.5
145.10136	23.8
147.11699	53.1
149.09668	2.8
149.13271	21.8
151.11136	2.9
157.10152	11.6
159.11696	21.6
161.13272	30.3
163.11157	3.4
163.14798	8.0
171.11734	11.9
173.13303	10.4
175.14833	11.3
177.12614	4.4
184.07452	2.8
185.13347	9.7
187.14893	3.0
191.14436	2.2
199.14816	13.3
203.14319	3.2
213.16441	5.5
231.17551	2.4
231.21098	8.4
241.19531	34.7
259.20590	100.0
277.21667	10.1
333.24173	7.0
351.25323	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.05508	14.6
56.48696	1.7
57.03431	4.3
57.07077	3.0
60.71012	1.4
63.41505	1.5
65.03956	1.9
67.05170	2.8
67.05509	41.4
69.07083	14.3
71.04995	2.7
71.08604	1.5
71.55240	1.9
75.04472	3.3
77.03896	1.9
79.05500	59.9
80.87759	1.5
81.06577	3.5
81.07061	50.3
83.08618	10.0
85.06546	3.9
91.04906	2.1
91.05484	57.6
93.07053	75.7
94.07424	1.8
95.04983	5.3
95.08051	2.6
95.08619	34.0
97.06536	3.8
97.10194	2.2
99.08106	4.4
105.04523	1.5
105.07040	60.0
106.07381	1.5
107.04944	2.1
107.08599	43.7
108.12625	1.7
109.06510	2.4
109.10168	12.4
111.08128	1.9
111.99508	2.9
113.00346	10.3
113.04185	2.0
113.09640	2.7
117.07037	12.9
117.69981	1.5
119.08590	58.1
121.10151	30.2
123.08028	3.2
123.11687	2.8
127.25076	1.5
128.06229	2.6
129.07001	10.1
131.08578	20.1
133.10143	48.4
134.10564	1.5
135.08067	2.5
135.11710	32.2
142.07793	2.4
143.08556	10.7
145.10146	23.5
147.11703	46.4
149.13255	20.2
157.10123	11.4
159.11703	20.6
159.96942	1.6
161.09622	2.4
161.13278	43.0
162.13654	1.6
163.11224	3.7
163.14828	6.5
171.11731	10.7
173.13260	11.8
175.14844	17.6
177.12781	3.3
185.13245	16.6
187.14882	2.1
189.12820	2.7
189.16393	1.6
199.14825	7.3
203.14363	3.0
206.02350	1.3
213.16423	5.1
217.19572	3.4
223.39156	1.5
224.42166	1.6
231.17470	3.9
231.21088	10.7
241.19510	36.7
259.20590	100.0
260.20935	2.0
261.04065	1.8
261.22214	1.9
277.21652	6.4
288.45898	1.4
333.24368	1.7
351.21112	3.4
351.25330	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75882	2.2
52.56360	1.7
53.03944	4.0
55.05515	16.5
57.03425	8.2
57.07066	3.9
57.81289	1.7
67.05511	39.9
69.07072	15.3
69.84167	11.0
71.08614	2.1
73.94844	1.9
77.03938	2.0
79.05501	55.4
81.03465	2.1
81.07063	51.9
83.05003	3.0
83.08609	7.3
85.06535	4.3
91.05491	51.7
93.06474	4.1
93.07055	84.2
95.04978	4.6
95.08611	33.6
97.06545	3.0
97.10196	3.7
99.08074	4.3
105.07041	65.5
107.08601	44.4
109.10157	14.3
113.04233	3.1
113.09665	3.9
117.07005	13.6
119.08591	55.8
121.10143	36.6
123.08059	2.0
123.11737	3.9
128.06171	2.0
129.06999	8.5
129.86765	1.7
131.08588	19.4
131.42375	1.9
133.10139	45.5
135.11719	35.0
137.00897	2.2
143.08586	9.9
145.10138	24.4
147.11691	48.1
149.13269	24.3
157.10101	9.7
159.11725	20.9
161.09613	2.8
161.13287	32.5
163.05263	1.9
163.11145	2.7
163.14812	8.2
171.11743	11.5
173.13226	12.1
175.11205	2.2
175.14836	17.5
177.12825	3.8
179.14316	2.5
185.13263	15.2
187.14844	3.4
199.14801	10.3
203.14366	3.1
213.16383	3.6
215.17969	2.6
231.17427	4.0
231.20982	11.6
241.19504	34.2
259.20602	100.0
260.21039	1.8
274.74829	1.7
277.21597	7.8
303.07346	2.2
333.24152	3.9
349.84595	2.0
351.21484	6.9
351.25305	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01871	7.9
55.05511	20.6
57.03445	9.8
57.07088	2.2
61.85188	1.8
65.81839	1.7
67.05170	3.0
67.05509	51.2
69.03424	2.3
69.07070	19.3
69.25523	1.7
71.04988	2.7
71.54765	3.0
73.01133	2.2
79.05062	3.8
79.05501	60.2
81.07063	80.4
83.04996	4.4
83.08624	12.1
83.84634	1.9
84.08126	2.3
85.01138	4.0
85.06525	3.0
86.09702	4.4
91.05488	44.4
93.06470	4.2
93.07050	72.5
95.01341	2.4
95.04971	4.8
95.08617	40.7
97.06535	4.3
97.10170	3.8
99.08099	4.5
104.98305	2.2
105.07037	50.3
105.44279	2.0
107.08606	47.3
109.06548	16.1
109.10174	13.4
111.04472	9.5
111.08082	2.5
113.04232	4.4
113.09683	2.5
117.07045	10.0
119.08593	46.9
121.10158	40.2
122.97103	1.8
123.08056	2.9
123.11683	4.0
125.05992	3.5
128.06282	2.4
129.06998	8.2
131.08594	18.4
133.10144	42.9
135.08130	4.8
135.11719	36.7
137.05986	100.0
137.13283	3.0
143.08572	9.9
145.10118	20.5
147.11710	45.5
149.01871	2.3
149.09648	5.6
149.13245	24.8
151.11211	5.0
157.10164	10.4
159.11681	13.9
161.09622	7.4
161.13272	32.1
163.11183	4.6
163.14801	5.6
165.09126	2.4
171.11690	14.7
173.13277	8.2
175.11208	4.6
175.14844	16.2
177.12784	3.5
179.10666	4.0
185.13258	14.2
187.00566	2.3
189.16380	2.3
193.12218	4.1
199.14857	5.0
203.14337	3.3
203.17928	9.2
213.16389	5.5
215.05693	2.2
217.19548	4.6
231.17491	10.9
231.21146	5.7
241.15762	2.1
241.19518	31.9
249.18440	10.9
259.20596	71.6
259.23334	4.0
273.18494	3.6
277.17993	35.2
277.21576	12.6
294.63492	1.8
295.18967	9.1
320.05887	2.0
333.24216	8.2
351.21509	13.1
351.25296	51.3
352.25638	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01855	3.1
55.05269	1.1
55.05516	17.2
57.03186	1.3
57.03444	16.4
57.07064	4.6
65.03934	1.1
67.05509	46.0
69.07074	16.3
71.04990	1.9
71.08635	55.1
71.28829	2.2
79.05061	2.0
79.05501	37.9
79.05962	1.8
81.03422	9.0
81.07063	43.6
83.04977	11.8
83.08614	9.4
85.06536	3.7
91.05483	31.0
93.07050	54.6
93.38953	1.0
95.04972	11.7
95.08613	32.9
97.06532	8.9
97.10159	3.7
99.08099	34.9
105.04536	1.2
105.07037	19.2
107.04964	10.2
107.08602	28.8
109.06528	5.2
109.10159	13.5
111.08060	3.2
113.09627	2.5
117.06997	6.2
119.08584	17.1
121.06491	1.9
121.10153	24.9
123.08058	2.0
123.11744	1.5
125.09607	1.3
129.07008	2.4
131.00021	1.5
131.08577	4.4
133.10147	12.8
135.11696	29.8
137.09660	5.2
140.98465	1.7
141.09123	4.2
143.08557	3.0
145.10132	5.3
147.11710	6.3
149.09615	1.9
149.13286	11.2
151.11200	18.5
153.12785	3.5
157.10152	1.9
159.11700	4.2
161.09631	1.1
161.13281	12.8
163.11172	8.2
163.14859	2.7
165.12787	1.8
167.10777	2.9
171.11681	3.2
173.13322	2.3
174.99043	1.3
175.11324	1.1
175.14839	1.6
177.12766	3.4
179.14319	100.0
180.14680	2.2
181.05466	1.1
185.13335	2.8
189.00587	1.6
189.12767	3.3
195.13913	2.2
199.14868	2.0
221.15361	2.5
231.21341	1.3
235.16913	5.5
241.19620	3.0
245.57196	1.1
259.20593	5.5
277.21631	37.5
333.13675	1.6
351.14923	1.7
351.25336	34.7
352.25473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
55.05510	1.7
56.05007	1.6
57.07061	1.8
58.06592	4.3
58.99580	3.6
59.64513	1.6
61.01166	8.3
67.05491	4.7
68.94737	1.6
69.07057	7.3
69.72749	10.0
70.06596	12.1
71.06120	11.7
72.04511	3.3
72.08154	2.7
73.01135	3.4
75.00713	1.6
75.02697	2.1
76.02198	1.8
77.00636	9.8
78.01804	2.6
79.05496	2.2
81.03407	1.9
81.07063	3.2
81.80634	1.5
84.04510	18.6
84.08139	5.6
85.04837	6.8
85.06548	3.0
86.06038	2.5
86.09690	4.8
90.69228	1.5
91.05474	2.8
93.07015	2.6
95.04975	3.0
95.08591	2.7
96.08144	5.3
97.08458	1.9
99.02707	2.3
101.02251	5.0
104.98324	76.4
105.07021	4.7
105.88342	1.7
107.08600	3.3
112.03957	1.7
112.07612	5.1
113.04230	3.7
113.05994	3.3
116.05293	2.1
116.07105	3.7
118.03252	32.1
118.04890	2.8
119.05218	2.4
119.08618	3.2
120.08096	2.3
120.65422	1.7
122.02109	2.0
124.07631	1.9
125.07962	2.4
127.03960	2.0
129.10248	2.5
130.03214	3.9
133.01427	23.6
133.10120	5.3
142.08672	9.8
144.04771	4.6
147.05873	65.0
149.13338	1.6
150.04094	9.0
157.04323	8.4
164.01759	2.4
170.08075	8.0
171.05824	2.5
171.08487	9.7
173.03781	2.6
173.08934	1.7
181.51851	1.9
204.05032	6.4
205.05243	4.5
221.07776	100.0
222.07950	4.8
296.22891	1.7
333.13080	36.0
333.16721	1.7
351.12515	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02205	0.9
52.47880	1.0
53.03936	1.5
55.01878	7.7
55.05511	11.3
57.03441	7.9
57.07070	1.8
60.04548	1.3
62.53039	1.0
67.05512	20.3
69.07079	8.5
69.98598	5.1
70.06575	0.9
71.08642	5.0
73.01150	1.4
74.32520	0.9
79.05508	19.3
81.03391	1.3
81.07063	45.7
82.03630	0.9
83.04987	4.0
83.08624	4.4
84.08168	1.3
85.06526	1.0
91.05486	14.2
93.07049	21.2
95.04972	2.4
95.08051	1.3
95.08618	17.5
97.06534	3.9
97.10189	2.3
98.46970	0.9
99.08092	5.0
105.07040	14.9
106.14209	0.8
107.08601	12.0
109.06522	14.2
109.09502	1.5
109.10159	7.5
111.04459	15.0
111.08088	2.0
113.04235	2.9
115.03831	1.5
116.81923	1.0
117.07015	2.6
119.08585	13.6
119.61343	1.0
120.08180	1.0
121.10160	10.6
123.08064	2.0
123.11646	1.6
125.05990	4.2
125.09625	1.8
126.83367	0.8
129.06989	1.7
130.09737	0.9
131.08583	4.2
133.10143	9.8
135.08070	4.0
135.11681	11.0
137.05989	100.0
137.13246	2.2
143.08572	2.6
145.10158	5.5
147.08051	1.4
147.11694	12.5
149.09633	3.9
149.12164	0.8
149.13249	4.6
151.07562	3.3
151.11186	3.9
154.12305	2.5
157.10170	3.0
159.11688	3.3
161.09679	4.7
161.13261	7.3
163.11189	3.9
163.14861	1.3
165.09114	2.1
165.12744	1.8
171.11720	3.0
173.13295	2.0
175.11215	4.0
175.14871	4.2
177.12741	1.2
179.10663	2.5
179.14336	3.5
181.12270	1.3
185.13332	1.7
189.12756	1.8
193.12305	2.2
199.14879	1.3
203.17953	5.6
213.16391	3.5
221.19008	1.6
231.17476	10.1
231.21094	1.9
241.15944	1.1
241.19548	3.7
249.18535	12.2
259.20593	10.3
277.18042	38.2
277.21567	6.3
295.19119	8.4
299.78836	1.0
351.21594	7.0
351.25354	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
55.05515	18.9
57.03434	10.6
57.07079	2.9
59.49591	2.5
65.03959	2.8
67.05511	51.0
69.07082	19.0
69.68620	14.7
70.06590	3.7
71.05025	2.9
71.08607	2.2
73.01166	2.4
79.05500	78.5
81.07060	65.2
83.04984	4.0
83.08614	8.6
85.06558	6.5
86.09724	2.9
91.05482	48.4
91.06009	3.9
93.07048	100.0
95.04986	7.4
95.08607	48.4
95.46932	2.2
97.06535	7.4
97.10175	2.7
98.20803	2.9
99.08075	7.2
105.07034	58.8
107.04991	2.8
107.08601	58.2
109.06551	3.3
109.10171	18.8
111.08112	2.5
113.04263	4.9
114.68613	2.4
117.07007	11.8
119.08586	57.3
121.10154	52.0
123.08051	3.5
123.11744	3.6
129.07014	6.1
131.08565	24.2
133.10139	53.0
135.08058	5.5
135.11708	52.3
137.09584	2.8
143.08583	9.7
145.10136	24.7
147.11691	51.1
149.09605	3.0
149.13286	31.2
157.10173	10.0
159.11678	17.2
161.13269	30.8
163.11195	5.2
163.14859	7.5
171.11710	14.0
173.13272	10.3
175.14853	9.7
177.12708	3.7
185.13260	12.8
199.14876	11.0
213.16425	5.3
231.17537	3.9
231.21193	8.3
241.19551	35.7
246.61020	2.7
250.47644	2.9
259.20599	99.9
277.21661	14.9
333.24261	9.4
351.25345	77.1
352.25577	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64052	0.9
55.05513	1.5
56.05045	1.5
56.96292	2.2
56.96569	28.1
69.03418	2.8
69.94765	4.7
70.06603	7.3
71.06912	1.3
71.95265	1.1
72.08145	3.7
74.02446	1.1
74.06053	1.2
83.06115	1.2
84.04492	4.4
84.07698	1.3
84.08157	17.4
84.96046	6.9
85.02890	3.0
86.06033	1.0
86.09698	3.2
87.05582	1.0
97.02879	2.5
98.21408	1.6
98.97590	95.0
102.96947	1.2
107.72417	0.9
110.07168	2.9
110.97591	15.4
112.07622	3.8
112.99145	2.9
116.98627	43.6
120.08121	12.4
127.00655	1.3
128.98616	17.0
129.02248	2.0
129.10268	6.4
130.08656	2.8
131.00150	2.9
133.06093	3.5
134.99672	9.4
136.06169	1.9
136.07539	1.3
137.05957	1.2
140.00162	1.1
140.98528	2.0
142.42644	1.0
143.00165	4.5
144.98070	2.1
145.01726	3.1
146.99666	6.7
147.03310	7.7
147.04349	1.7
149.01212	2.2
152.98608	4.0
153.05460	1.7
154.94212	2.4
158.01262	1.3
158.99669	36.4
161.01254	5.4
162.99170	2.7
163.02756	3.6
165.04395	7.3
170.99644	7.1
172.95264	4.9
175.02838	1.6
177.00731	27.3
177.05504	1.2
181.00063	1.1
188.99072	1.8
189.00726	4.8
189.04329	10.1
190.96271	1.9
191.11803	1.7
193.03839	1.2
201.00760	3.7
203.05875	1.4
204.09837	1.2
206.97815	1.6
206.99878	1.4
207.01854	1.4
207.05363	3.4
219.01794	26.4
219.05206	2.4
219.11237	1.6
231.05403	4.8
232.04842	1.2
234.99329	1.1
237.00426	2.1
237.02837	40.5
247.19611	1.1
249.06635	2.1
255.03931	3.3
291.07520	43.8
309.08572	100.0
310.08902	2.0
332.10251	3.8
351.01971	2.0
351.09732	39.2
351.20422	2.2
352.09995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	14.1
57.79926	2.5
69.03417	4.4
74.06071	1.9
80.01228	1.9
82.10134	2.0
84.04498	2.6
84.96032	1.9
85.02914	4.3
93.48438	2.2
97.02915	4.8
98.97581	7.6
101.00878	10.0
102.04045	7.7
103.00645	4.8
103.02407	4.6
113.00896	4.9
115.02403	3.7
116.98624	5.0
119.01937	14.5
120.02062	2.6
120.22469	2.1
121.01684	12.7
121.03487	1.9
129.03998	3.7
131.01936	19.1
133.01668	8.3
133.03500	5.1
135.03198	2.4
137.02995	3.7
143.01913	9.8
145.03462	18.8
146.99687	5.0
147.01405	3.5
147.03198	3.6
149.02942	3.1
155.01952	16.2
157.03442	10.1
158.99615	3.1
159.05048	3.3
161.02966	10.8
163.02705	3.0
164.98930	2.6
165.00708	4.6
167.00577	2.7
167.01933	4.0
169.03476	2.8
170.99663	5.2
171.04968	2.9
173.02979	27.3
175.02811	3.0
175.04510	5.0
183.04977	2.3
185.02962	15.4
187.00874	2.6
187.04572	6.6
189.00694	7.1
191.04022	4.2
197.02911	2.3
199.04602	5.7
201.00615	3.2
203.04042	11.0
204.10551	3.4
207.01677	2.3
209.03049	3.8
217.00105	11.2
219.01732	3.5
219.05290	2.5
221.05113	7.7
231.01755	6.5
235.01247	5.0
235.06645	10.2
245.05186	3.2
247.06818	4.3
249.02841	15.3
253.07689	6.8
257.05133	6.9
261.03955	6.3
261.08212	2.5
262.02359	2.2
268.70883	2.1
279.09232	2.6
289.07706	23.8
301.04041	8.3
309.04971	3.6
333.06735	19.5
351.06989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.7
56.96567	6.8
59.68291	0.9
60.04522	1.7
61.01161	1.1
69.03426	1.1
70.02914	1.1
70.06593	4.7
71.54952	1.5
72.08150	3.9
74.06081	1.1
81.03377	1.0
84.04488	3.0
84.08147	15.5
84.96065	1.1
85.02895	3.8
86.09731	1.6
97.02889	2.5
98.97600	3.5
101.00868	2.7
102.04044	2.9
103.02452	1.3
110.07162	2.3
113.00855	2.2
115.02454	1.2
116.07057	1.0
116.98640	1.2
119.01928	6.7
120.05074	2.2
121.01662	2.7
127.07133	1.0
128.98639	1.2
129.03970	1.4
129.10246	4.6
130.05005	1.0
131.01920	9.0
133.01608	1.4
133.03444	2.7
134.99670	1.0
139.02516	1.7
143.01933	2.1
145.03459	6.6
146.97949	1.1
146.99649	1.4
147.01456	1.3
147.03197	1.0
147.05043	1.8
147.64954	1.1
148.02771	1.0
149.01222	1.3
149.02943	1.1
155.01900	6.5
157.03467	6.3
158.99615	1.2
159.05061	1.4
161.01227	1.0
161.02968	2.7
161.59959	1.0
164.98943	1.8
165.99133	1.2
167.00525	1.2
167.01892	2.3
169.03516	1.9
170.99580	1.9
171.04994	2.6
173.02988	11.0
175.04564	2.0
185.03011	5.9
185.62250	1.0
187.04517	2.5
189.00797	1.7
189.06068	2.4
191.02153	1.3
191.03915	1.2
198.99260	1.6
199.04509	2.6
201.06078	1.9
203.03981	5.0
209.02977	1.4
215.05116	1.1
217.00188	3.1
219.01826	1.7
219.05223	1.3
221.05051	5.6
229.05608	1.3
231.01637	1.4
232.10237	1.0
233.14133	1.0
235.01366	1.4
235.06702	3.2
237.02892	1.2
247.06676	2.3
249.02863	3.4
253.02487	1.4
253.07889	1.5
257.05075	3.7
261.03833	2.4
261.08395	1.8
270.49719	0.9
279.09314	2.1
289.07794	9.1
291.05893	2.1
291.09399	4.9
301.04059	4.0
309.10147	1.6
327.86310	1.0
333.06653	7.3
351.06937	100.0
351.71494	1.0
352.07397	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	350.2692
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
53.03933	3.0
55.05515	27.5
56.05025	5.3
57.03414	1.5
57.07070	9.7
58.02974	6.9
58.03213	2.2
58.06597	3.3
60.04519	2.5
65.03942	2.2
67.05175	1.8
67.05507	32.7
68.05032	1.3
69.06734	2.6
69.07073	43.3
70.06600	11.8
71.08636	40.0
71.56044	2.7
72.04491	2.7
72.08147	2.8
73.06567	1.7
79.05071	1.6
79.05498	29.0
80.05002	3.0
81.03388	1.3
81.05788	1.9
81.07058	37.2
82.06569	10.8
83.04948	2.0
83.08624	14.3
84.04485	4.0
84.07688	2.2
84.08142	24.1
85.10191	1.7
86.06052	4.1
86.09718	7.2
88.11275	100.0
89.06029	2.3
91.05487	20.7
91.21609	1.4
93.05756	1.6
93.07050	23.4
94.06573	26.1
95.04950	4.7
95.07350	2.5
95.08615	32.4
96.08131	9.6
97.06508	3.5
97.10178	11.0
100.07624	3.5
105.07021	13.3
106.06547	3.0
107.04970	2.1
107.07356	2.1
107.08603	17.1
108.08138	3.5
109.06519	3.5
109.08948	2.4
109.10162	11.3
110.09690	4.6
111.11723	1.9
112.07593	6.5
114.09129	5.6
117.06999	4.0
119.08588	11.6
120.08112	1.7
121.10183	8.9
121.10890	1.8
122.09634	4.9
123.08118	1.5
123.11691	5.2
124.11232	12.4
129.07007	1.7
131.08536	4.5
133.10110	7.1
135.11676	7.8
136.11203	4.0
142.12253	2.6
145.10104	5.1
147.11674	5.8
149.13243	3.1
151.09613	2.1
152.10667	4.8
156.13834	6.4
157.10114	2.0
159.11665	2.7
161.13235	3.4
164.14336	6.6
165.12727	1.6
170.15471	7.0
171.11945	3.3
175.14848	2.0
180.13870	4.2
184.16975	6.4
198.18495	5.7
212.16496	20.1
212.19981	3.6
220.16949	4.3
232.17078	1.9
238.18021	2.6
238.21689	1.6
240.23215	2.4
245.22520	3.6
248.40126	1.4
252.19620	17.6
252.23238	1.4
254.24792	3.1
266.24982	1.6
268.26343	2.6
272.85864	1.4
280.19107	1.9
292.22681	12.4
315.23007	1.8
318.24268	2.4
332.25723	8.9
350.27014	67.4
350.34113	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.84756	0.4
55.05510	2.0
57.07084	4.5
67.05507	3.0
69.07064	2.5
71.08636	2.6
71.27412	0.6
73.42583	0.3
79.05498	2.9
81.07066	6.4
83.08614	0.6
85.06570	2.3
89.05999	0.3
91.05480	1.3
93.07050	2.5
95.04979	0.7
95.08614	5.2
97.06528	0.4
97.10175	0.8
99.08125	1.7
101.05905	0.4
105.07064	2.1
107.08607	2.5
109.06528	19.8
109.10163	1.4
111.08089	0.7
114.11718	0.3
116.10007	0.3
119.08585	2.6
121.10152	1.9
122.07295	2.2
123.08082	24.6
127.75347	0.3
133.10136	1.2
135.08058	3.5
135.11705	0.6
137.09575	0.7
137.13281	0.6
145.10118	0.7
147.11687	0.8
149.09605	0.6
149.13307	0.6
159.11694	0.6
165.12770	0.7
167.14439	0.5
179.14328	100.0
180.14677	1.2
185.13106	0.4
193.15959	2.6
211.42168	0.3
233.19089	0.6
274.86008	0.3
303.27023	0.4
331.26300	2.3
349.27411	76.5
350.27832	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	349.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
57.07081	44.5
67.05521	2.1
69.07066	2.2
69.66322	5.6
71.08636	27.6
73.06567	4.2
79.05500	2.5
81.07047	2.2
83.08610	2.9
85.10185	18.6
87.04502	0.9
89.06041	100.0
91.05477	2.2
93.07042	1.7
95.08620	2.3
97.10184	2.4
98.20775	0.9
99.11738	2.8
105.07052	1.4
107.07082	8.4
107.08624	2.5
109.06514	1.6
109.10185	1.4
117.06999	1.0
119.08588	1.8
121.10193	2.1
123.08086	3.1
130.08662	3.2
131.08594	1.4
133.08611	33.6
133.10121	1.9
135.08020	1.0
145.10260	1.0
151.09618	4.9
159.11652	1.5
167.04413	1.0
177.11237	6.4
179.14351	3.4
195.12311	18.0
198.14983	1.0
199.20560	1.5
209.13478	0.9
293.21103	0.9
349.29413	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	350.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89306	0.5
53.03911	0.8
55.01849	2.8
55.05482	0.9
56.05010	1.1
57.03410	1.6
58.06582	1.1
58.33752	0.5
58.73109	0.6
58.99571	1.3
60.21359	0.6
61.02934	1.0
62.13343	0.6
65.03908	0.8
67.05510	0.9
68.05013	1.0
69.03404	2.8
69.07063	0.8
70.06603	3.3
71.04987	1.2
72.08121	1.9
73.01128	1.1
75.00697	1.0
78.01772	1.8
79.05429	0.7
81.03416	0.9
84.04510	14.7
84.08109	2.7
85.01135	3.3
85.04823	1.4
86.09681	2.6
91.05470	1.6
92.32982	0.6
94.06548	0.8
96.08138	4.0
99.02667	2.2
99.04415	0.8
100.11244	1.2
101.02247	1.9
104.04976	1.1
104.98336	1.4
106.06543	0.6
110.07140	0.6
112.03948	1.6
113.04227	1.3
116.05262	0.9
116.07086	1.1
117.05695	1.7
118.01257	1.3
118.04906	3.4
118.06547	14.0
119.07334	8.2
120.08118	3.0
124.07634	2.9
126.03780	0.7
126.09114	0.6
127.02145	0.7
129.10246	0.8
130.05008	0.8
130.65970	0.6
132.05455	0.7
132.08144	0.9
134.06017	0.6
140.05292	0.7
142.08618	2.3
145.07626	6.4
147.09178	9.2
150.03745	7.4
151.04500	1.6
152.05261	1.5
157.07596	1.1
159.09175	4.9
160.10010	1.0
162.05534	1.8
163.06306	6.0
164.01711	1.1
164.07054	1.4
168.04771	1.3
170.08153	9.7
171.08374	1.2
172.08656	1.8
173.07198	0.7
178.03229	0.8
181.04401	1.0
184.06038	1.1
185.10680	1.0
191.08167	45.8
196.04289	100.0
197.05043	4.7
197.10907	0.6
199.08737	0.8
202.05315	0.7
204.04875	3.2
215.11844	0.7
216.07706	4.3
220.08565	0.8
221.07500	3.2
225.10100	0.8
240.81361	0.6
247.09052	0.9
260.04135	0.8
263.13940	3.4
275.08945	0.7
286.05609	1.6
289.11877	1.7
307.12894	26.0
345.49680	0.6
350.13516	20.8
358.72302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43941	2.3
53.03946	7.6
55.01874	6.0
55.05515	18.8
57.03443	35.1
57.07072	3.1
65.03954	2.9
67.05176	3.8
67.05511	56.0
69.07078	26.7
71.05017	3.3
71.55568	2.7
79.05061	3.7
79.05505	48.4
81.03425	8.5
81.07069	52.4
83.04990	5.5
83.08627	7.5
85.06552	10.0
85.74561	2.2
87.78231	2.0
91.05489	82.1
93.07053	56.4
95.01338	4.8
95.04977	8.1
95.08613	37.1
97.06543	9.6
97.10182	5.1
99.04454	6.4
105.07041	65.1
107.04969	9.0
107.08591	25.9
109.06514	13.9
109.10183	12.9
111.08095	3.0
113.04235	5.8
115.05544	3.0
116.06239	2.3
117.07021	21.3
119.08604	47.5
121.06519	5.2
121.10149	16.5
123.08104	6.4
129.06999	8.7
130.07822	2.7
131.08589	37.5
133.10152	48.7
135.08081	5.6
135.11725	10.1
137.09634	5.3
139.46574	2.1
141.06934	2.4
143.08580	7.1
145.10139	26.2
147.11702	12.2
149.09622	4.4
149.13341	3.8
155.08563	2.9
157.10114	7.4
159.11703	18.1
161.13287	7.3
163.11143	2.8
169.10182	3.9
171.11795	7.6
173.13309	8.5
177.12775	4.5
178.33907	2.4
179.14355	4.9
183.11728	5.7
185.13289	7.5
187.11200	2.6
196.37029	2.2
197.13287	2.6
201.12714	2.6
201.16391	5.7
203.14316	4.6
219.17477	100.0
220.17793	2.4
229.19589	4.4
239.17937	6.5
257.19107	18.4
268.78525	2.0
275.20096	31.8
287.30530	2.4
341.27878	2.4
349.23822	53.8
349.28003	2.8
349.33981	3.8
350.24274	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88621	3.0
53.03954	19.0
55.01873	23.8
55.05511	35.4
56.96555	10.5
57.03450	21.0
57.07061	2.6
58.99596	3.2
65.03928	4.5
67.00341	3.0
67.05508	82.6
69.03429	3.1
69.06721	4.7
69.07072	67.4
70.22675	10.2
71.04984	4.9
73.01120	2.8
79.05056	5.5
79.05498	73.4
81.03429	27.7
81.06574	5.4
81.07062	100.0
83.04983	17.2
83.08623	12.4
85.06543	6.1
87.74618	2.7
91.05483	92.8
93.07047	59.8
95.01342	22.0
95.04980	27.2
95.08611	57.9
97.02898	3.1
97.06532	39.1
97.10188	5.1
99.02641	3.4
105.07038	98.5
107.04960	38.4
107.08602	39.7
109.06512	7.8
109.10157	17.3
110.93919	6.8
111.02637	3.7
111.08086	5.4
112.03439	3.1
113.04245	37.8
115.03748	3.5
117.07030	29.9
119.08595	63.9
121.06483	5.4
121.10123	18.4
123.04415	3.6
123.08093	11.7
123.11670	5.3
125.09641	5.4
129.03717	10.4
129.06992	9.6
130.04515	5.3
131.08578	48.0
133.10146	64.4
135.08025	7.0
135.11687	11.8
137.09604	5.1
141.06972	5.9
141.24359	2.5
143.08560	7.4
145.06541	6.8
145.10143	31.3
147.11685	27.2
149.09651	18.2
149.13287	10.5
151.11160	4.3
155.08597	3.5
157.10132	5.8
159.11694	27.2
161.13260	7.8
163.11230	7.1
165.09157	4.0
165.34657	2.8
169.10141	10.5
171.11705	9.4
173.13286	9.4
175.13290	3.4
175.14809	3.9
177.12775	10.5
179.14336	30.7
183.11717	4.2
187.11150	13.2
213.07883	5.7
217.07515	5.3
229.01425	9.3
229.07463	6.3
229.19601	4.4
231.09106	6.0
239.17946	4.5
247.08536	5.8
247.20630	4.6
253.59033	3.0
257.18991	21.1
275.17245	5.5
275.20074	59.6
306.80557	3.2
331.15732	5.0
349.17117	14.1
349.23834	58.8
349.27573	6.2
350.24146	3.6
367.17841	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
53.86481	1.3
55.01877	3.7
55.05520	12.8
57.03195	2.2
57.03445	30.7
57.07061	2.8
58.32631	1.5
65.03943	1.7
67.05183	2.3
67.05512	39.1
69.03418	2.5
69.07075	14.8
70.80349	4.0
73.01141	1.6
77.11960	1.7
79.05070	1.9
79.05501	37.8
81.03420	2.6
81.07062	38.7
83.04963	4.3
83.08607	6.5
85.06547	10.7
91.05493	58.6
93.07063	38.5
95.04986	7.4
95.08610	30.4
97.06532	4.5
97.10171	3.3
99.04457	5.8
99.08070	1.8
103.05490	2.4
104.98319	2.5
105.07041	45.7
107.04954	5.2
107.08606	18.6
109.06539	13.5
109.10177	10.7
111.02678	1.8
111.08134	1.7
111.99611	2.1
113.00371	17.7
113.04215	5.2
115.05461	2.5
117.07022	19.8
119.08588	39.7
121.06538	2.2
121.10152	14.9
123.08080	4.7
129.06975	4.9
131.05232	2.0
131.08588	28.9
133.10146	26.5
135.08049	4.5
135.11729	11.2
137.09605	4.8
143.08638	4.1
144.09393	1.8
145.10127	22.1
147.08037	2.9
147.11687	12.3
149.09625	4.5
149.13278	2.2
151.11168	2.2
153.12804	2.6
157.10127	5.1
159.11699	15.6
161.13258	4.6
163.11205	2.5
169.10223	1.8
171.11659	4.9
173.13228	8.2
175.14801	2.8
177.12660	2.0
183.11754	2.8
185.13287	4.2
188.45558	2.1
197.13248	2.5
201.16382	5.0
203.14291	3.3
209.15257	1.7
219.17458	100.0
220.17717	2.1
229.19585	3.2
239.17975	3.0
241.19791	1.6
241.27795	1.5
247.20885	2.3
257.19043	13.3
275.20068	24.1
276.53513	1.6
331.22623	1.6
349.19812	3.3
349.23776	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93570	3.0
55.01850	4.1
55.05500	12.6
56.05013	2.8
57.03435	7.6
58.99573	9.8
61.00883	3.7
61.01157	43.4
64.69154	3.0
67.05502	23.2
69.07057	12.3
70.06597	6.7
70.13879	14.9
73.01151	79.0
75.02694	13.5
76.02221	6.4
78.09087	3.0
78.96798	3.5
79.05505	19.3
81.07069	25.4
82.58986	2.7
83.08614	11.0
84.04518	27.0
84.08145	5.2
85.04828	7.5
87.02702	22.5
89.04263	13.4
90.96786	7.1
91.02180	9.3
91.05471	14.6
92.98325	24.9
93.07045	13.0
94.97945	3.6
95.08620	8.8
96.08133	6.7
97.06537	6.2
97.08464	3.9
99.02052	3.3
99.02683	10.0
101.04246	10.4
104.97617	5.3
104.98325	100.0
105.07043	18.6
107.04933	4.3
107.08588	9.7
109.06522	4.1
109.10146	6.8
112.04008	5.5
113.04257	18.3
116.01675	3.8
116.05353	7.2
117.05623	4.1
117.07046	5.6
117.99067	4.5
118.99892	3.8
119.08566	14.3
121.01440	19.5
121.10130	4.2
124.07592	3.5
129.10266	3.3
131.08568	7.8
133.10136	10.9
145.01439	4.6
145.10135	13.3
147.02988	49.4
147.11707	8.3
149.09607	5.7
150.97054	13.0
153.04085	3.2
159.11710	10.9
161.13153	3.3
165.04051	35.6
167.00256	8.2
169.09988	3.1
170.08171	13.2
171.08469	11.7
173.13290	6.2
182.99606	14.0
185.00647	7.4
202.05272	6.5
203.05711	6.2
220.08337	6.6
257.18973	13.5
275.20010	18.6
349.20004	5.6
349.23746	22.9
349.27460	4.2
356.05289	3.3
367.18054	4.4
368.68875	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	21.7
57.03428	13.8
57.39747	7.0
58.99573	12.1
60.04531	57.9
67.05508	49.4
67.63911	6.9
69.07070	42.8
70.06602	11.1
71.08639	8.9
71.54778	8.6
73.01138	31.0
74.96841	8.0
76.01812	7.1
79.05495	43.8
81.07063	61.8
83.04936	10.6
84.04502	22.2
84.08103	15.3
91.05481	58.3
93.07041	38.8
95.04971	15.4
95.08613	24.2
96.08105	8.2
97.06538	12.0
97.10169	9.9
99.02674	16.4
104.98328	38.2
105.07027	49.6
107.08614	20.0
109.06503	9.6
109.10146	12.2
111.99538	14.6
113.04219	30.7
115.05763	13.3
116.05328	11.1
117.07018	25.9
119.08555	29.7
121.10181	10.6
124.07642	9.3
131.08574	24.9
133.10133	33.2
135.11679	13.0
139.05701	9.3
145.10117	39.1
147.02975	26.2
147.11656	18.9
157.10153	11.0
159.11644	27.8
169.10138	9.9
170.08150	12.4
171.08459	15.6
175.11136	9.2
185.00687	40.9
185.02197	8.6
187.00244	29.1
202.05307	12.8
211.14832	10.5
239.17856	11.7
257.19025	26.2
259.00537	17.1
275.20099	33.8
346.57440	8.2
349.19800	100.0
349.23773	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	349.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
53.23449	5.9
55.01863	15.6
55.05507	23.1
56.05036	8.8
57.03436	12.8
58.99582	31.0
59.99919	6.8
60.04539	36.3
61.01152	18.1
67.05518	38.4
69.07066	37.0
69.74329	38.6
70.06599	21.4
70.44833	6.2
73.01154	46.8
76.02248	17.6
79.05508	38.3
81.03402	7.1
81.07068	64.6
83.08641	8.4
84.04511	100.0
85.04848	30.4
87.02681	9.8
88.14282	6.6
91.05489	35.5
93.07040	21.3
94.14391	6.8
95.04968	13.5
95.08613	22.9
96.08126	21.0
97.06543	20.5
97.08494	13.5
98.21412	12.4
99.02701	33.5
100.03050	13.0
101.04248	21.7
104.98327	70.7
105.07037	34.8
107.08603	26.6
109.10168	9.5
110.07098	7.6
111.99579	29.3
112.04012	12.2
113.04249	79.9
113.99197	9.0
115.05811	66.4
116.01673	9.2
116.05330	24.8
116.07124	9.5
117.05655	17.1
117.06976	15.7
119.08575	20.7
121.10188	11.5
124.07603	12.5
125.07920	15.7
129.03746	8.6
129.10214	7.7
130.04530	8.6
131.05270	25.9
131.08577	17.5
133.10143	20.7
142.08638	8.1
143.08812	9.2
145.10127	31.1
147.02985	91.2
147.11644	15.3
151.03915	6.7
159.11720	21.8
162.02232	8.1
163.02547	7.5
170.08156	44.9
171.08517	52.8
173.13232	7.2
185.00710	53.6
187.00214	34.8
202.05388	16.3
203.05678	26.3
219.08080	11.9
220.08328	20.0
230.07045	7.5
246.09885	8.4
257.19107	20.9
274.09351	9.4
275.20151	20.8
279.10074	6.9
330.26202	10.1
343.78345	8.4
349.20023	11.4
349.23764	49.2
349.27798	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	349.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01863	3.6
55.05511	8.7
57.03438	6.4
64.01662	5.2
67.05508	23.0
69.07069	13.8
71.55339	4.0
72.97244	3.4
73.01085	3.0
79.05496	20.0
81.03410	3.6
81.07063	27.9
84.04489	8.6
85.06527	3.3
91.05482	20.7
93.07042	22.2
94.29220	2.7
95.04967	5.0
95.08611	12.9
97.06556	4.1
98.98470	3.9
99.02737	3.9
105.07021	30.2
107.04978	6.0
107.08592	12.9
109.06510	4.9
109.10160	4.8
111.99577	70.5
113.00379	5.5
113.04227	18.2
117.07028	10.1
119.08585	18.3
121.06526	7.7
121.10149	5.6
123.08069	4.7
128.98076	11.1
129.33577	2.9
131.08577	12.8
133.10127	18.8
135.11667	4.4
141.69051	2.9
143.08636	4.6
144.97496	18.7
145.10089	17.0
147.11743	7.2
149.13303	4.1
152.02689	3.4
153.03447	14.7
155.01074	4.8
157.10123	5.1
159.11705	17.8
161.00232	3.4
169.02960	6.8
173.13290	4.1
179.14360	5.7
183.11757	3.7
184.63382	2.9
184.98991	4.9
185.00664	100.0
185.02197	5.4
185.13196	3.7
187.02156	3.5
195.10008	9.0
203.01759	5.4
218.99454	13.9
219.17445	3.6
226.03337	5.8
256.26416	7.4
257.19009	11.9
259.02567	23.3
260.03342	34.6
275.02060	3.0
275.20096	18.3
348.31088	11.7
349.03940	48.7
349.19858	51.1
349.23807	26.0
349.27298	5.0
349.31143	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	349.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
55.01868	1.6
55.05515	1.0
56.05534	0.9
58.99593	1.4
60.04526	4.8
61.01157	1.6
67.05502	3.7
69.07073	2.3
70.79958	1.5
73.01141	3.5
73.75748	0.9
74.12364	0.8
79.05521	4.7
81.07063	3.4
83.08628	1.3
84.04506	2.6
84.08133	0.9
84.24891	0.8
87.02661	1.1
91.05489	2.9
92.98355	1.2
93.07060	3.4
95.08580	2.6
99.02698	1.8
101.04233	1.3
104.98325	5.4
105.07055	4.4
107.08614	1.7
109.06519	0.9
109.10175	1.0
111.02660	1.0
111.08021	0.8
111.99579	100.0
113.00375	10.3
113.04245	3.4
115.05817	0.8
116.98615	0.8
117.06981	1.4
119.08604	2.9
120.08180	0.8
121.01411	0.9
121.10172	1.8
123.08078	1.1
130.00580	1.1
131.08597	2.6
132.06566	2.7
133.10155	2.1
145.10130	4.3
147.02975	2.6
147.11700	1.6
157.10179	1.1
159.11716	2.3
170.08130	1.5
171.08464	1.6
185.00723	2.7
186.01482	2.5
201.00153	17.7
239.17963	1.5
257.18991	2.8
259.02515	2.1
275.01962	4.1
275.19989	2.4
349.23956	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	349.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
55.01868	1.6
55.05515	1.0
56.05534	0.9
58.99593	1.4
60.04526	4.8
61.01157	1.6
67.05502	3.7
69.07073	2.3
70.79958	1.5
73.01141	3.5
73.75748	0.9
74.12364	0.8
79.05521	4.7
81.07063	3.4
83.08628	1.3
84.04506	2.6
84.08133	0.9
84.24891	0.8
87.02661	1.1
91.05489	2.9
92.98355	1.2
93.07060	3.4
95.08580	2.6
99.02698	1.8
101.04233	1.3
104.98325	5.4
105.07055	4.4
107.08614	1.7
109.06519	0.9
109.10175	1.0
111.02660	1.0
111.08021	0.8
111.99579	100.0
113.00375	10.3
113.04245	3.4
115.05817	0.8
116.98615	0.8
117.06981	1.4
119.08604	2.9
120.08180	0.8
121.01411	0.9
121.10172	1.8
123.08078	1.1
130.00580	1.1
131.08597	2.6
132.06566	2.7
133.10155	2.1
145.10130	4.3
147.02975	2.6
147.11700	1.6
157.10179	1.1
159.11716	2.3
170.08130	1.5
171.08464	1.6
185.00723	2.7
186.01482	2.5
201.00153	17.7
239.17963	1.5
257.18991	2.8
259.02515	2.1
275.01962	4.1
275.19989	2.4
349.23956	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	349.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.4
55.05521	26.1
56.96551	5.6
57.03431	7.7
58.99572	18.0
60.04520	6.5
60.24503	4.5
61.01157	59.2
67.05511	40.8
69.07066	18.5
70.06564	6.9
71.12917	10.4
73.00732	6.2
73.01138	100.0
74.52829	4.5
75.00696	9.9
75.02692	13.5
76.02219	5.5
78.74882	4.6
78.96804	6.2
79.05489	32.0
81.07061	46.6
83.08598	20.6
84.04497	51.9
84.08121	6.8
85.04822	14.5
87.02664	29.1
89.04253	24.8
90.96775	11.4
91.02161	10.7
91.05487	28.5
92.98323	32.0
93.07028	26.0
94.97883	10.3
95.04942	5.4
95.08598	18.7
96.08128	11.2
97.06509	8.8
97.08481	6.0
99.02680	18.4
101.04241	10.7
104.98315	94.4
105.07032	29.4
106.97884	18.2
107.08594	20.5
109.06503	8.0
109.10143	14.7
110.21281	5.1
111.99532	5.5
113.04259	37.0
115.05738	7.6
116.01690	7.0
116.05305	11.6
116.98328	8.5
117.05634	7.2
117.06995	7.8
117.99072	8.2
118.99870	9.8
119.08557	25.3
120.99405	7.0
121.01429	21.3
121.10139	6.7
123.01071	5.6
124.07576	5.4
126.25114	5.6
131.08540	11.4
132.98781	5.3
133.10139	19.1
142.03232	7.4
145.01390	10.0
145.10139	15.5
147.02977	50.3
147.11676	17.7
150.97020	12.9
152.96584	7.0
159.11678	17.9
165.04053	20.2
167.00189	10.1
169.10201	5.5
170.08138	21.1
171.08461	36.6
173.11797	9.9
173.13220	8.7
174.12042	8.4
182.99678	12.2
185.00699	6.8
202.05251	7.9
203.05641	12.1
220.08318	15.7
257.18951	13.9
274.09106	6.7
275.20071	23.1
296.06821	5.2
349.12964	7.7
349.20029	8.2
349.23682	39.7
367.17816	8.8
368.18277	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	349.009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29226	3.1
55.01881	4.1
55.05510	18.6
55.40291	3.5
56.05035	7.7
57.03427	9.3
58.04197	4.4
58.06581	8.4
58.99590	25.7
59.31680	3.1
60.04520	14.6
61.01156	28.7
67.05497	10.2
69.03431	4.1
69.07063	10.4
70.06590	17.1
70.99570	3.6
71.54872	5.6
72.08149	6.1
73.01141	60.0
75.02720	3.7
76.02225	14.1
78.96780	3.8
79.05495	10.9
81.03434	3.5
81.07057	19.4
82.06586	5.4
83.05004	4.1
83.08623	5.7
84.04509	85.4
84.08156	10.2
85.01127	3.4
85.02924	5.2
85.04828	30.6
85.06545	5.9
86.09713	11.6
86.99065	18.5
87.02687	3.8
89.00633	4.1
89.04276	7.5
90.01383	3.5
91.05466	6.1
93.07073	4.4
95.04970	5.6
95.08616	7.3
96.08125	23.2
96.97820	14.6
97.06539	25.8
97.08476	10.9
97.50613	3.7
98.09681	9.0
99.02667	25.1
99.04459	3.2
100.00990	3.0
100.02999	10.8
100.07613	9.2
100.11259	31.9
101.04225	4.3
102.96761	8.0
103.97550	14.6
104.98318	92.6
105.03697	4.1
105.07030	9.1
105.99109	7.0
106.99901	4.8
107.08603	6.8
110.07198	4.9
110.93952	100.0
111.02708	4.6
111.04441	7.0
112.03977	9.1
113.04244	67.8
115.02180	6.4
116.01678	9.7
116.05303	24.0
116.07079	4.9
116.10751	4.3
117.05687	14.5
117.99123	3.4
119.08584	6.9
120.08097	3.3
120.97790	41.6
122.99382	7.4
123.08108	3.3
124.07597	12.4
125.07950	10.1
126.09252	3.3
127.02122	3.3
127.03905	5.2
128.07060	5.8
129.03748	7.8
130.05067	4.2
131.05280	9.7
131.08632	3.8
133.10139	5.2
136.95480	36.1
141.11469	5.1
142.03224	5.7
142.08597	5.5
143.08905	4.0
145.01428	6.6
145.10152	6.0
152.94994	3.6
161.00906	6.4
162.02307	5.3
163.02449	5.3
168.98116	59.2
170.08122	41.9
171.08473	45.4
175.78488	3.7
176.98688	10.9
179.04874	5.2
182.15431	18.0
184.97665	21.7
194.99683	17.7
196.04311	10.6
198.14856	8.0
199.18004	4.5
202.05312	14.4
203.05673	29.2
204.66594	4.1
209.16534	7.2
210.14890	15.5
210.99121	21.3
218.66170	3.7
219.07997	14.4
219.16406	4.0
220.08253	20.5
226.14299	8.5
227.17516	7.4
246.06209	5.8
246.09601	4.5
274.09311	8.0
276.21323	4.9
339.60513	4.4
348.27179	11.7
349.12259	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	348.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05505	1.7
57.03424	1.1
58.99581	2.8
61.13951	0.6
63.99878	0.7
67.05510	5.1
69.07076	8.5
71.55400	0.7
71.56125	0.7
73.01144	2.8
78.96777	2.3
79.05496	10.3
81.07059	6.3
83.04960	0.7
83.08637	1.2
83.65355	0.6
85.01138	1.5
85.06530	0.7
89.00645	0.9
91.05482	2.4
93.07038	4.9
94.60121	0.6
95.04973	1.6
95.08601	3.3
97.01121	1.5
97.06528	4.7
98.01913	1.0
98.98475	4.8
99.02682	6.1
101.04259	5.3
104.98318	2.1
105.07044	1.4
106.65307	0.6
107.08617	3.2
109.10184	1.0
110.93967	3.0
111.02668	5.9
112.03454	7.4
113.04239	100.0
114.05080	4.8
115.02158	1.2
115.05864	0.7
117.06969	0.9
119.08611	1.2
121.10126	1.8
129.03734	8.9
130.04517	4.0
131.05223	3.1
131.08603	1.5
133.10110	1.5
135.11723	1.5
142.91063	0.8
142.99831	1.6
144.00690	2.1
145.01411	11.0
145.10136	0.7
149.13274	3.3
155.01009	4.7
159.11734	2.2
161.00902	2.2
163.02451	1.8
177.12796	1.9
194.99779	0.9
195.13792	0.9
275.20242	0.7
349.14474	3.9
349.27441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.8
55.05493	0.8
56.05031	2.3
57.03429	0.9
58.06599	2.5
58.99580	2.6
59.14249	0.8
61.02917	2.4
65.03954	0.8
67.05509	1.0
68.05039	1.1
69.03439	5.2
70.06575	2.8
72.08147	2.6
73.01157	4.6
73.02888	1.1
74.02434	1.9
76.02228	5.7
79.05500	0.8
80.05013	1.2
81.03442	1.8
82.06558	1.3
82.63095	0.8
83.07323	1.0
83.94473	0.8
84.04513	35.2
84.08136	1.0
84.98179	0.8
85.02435	1.4
85.02917	21.4
86.09719	1.2
86.99049	1.1
89.37820	0.6
91.03967	1.0
91.05489	16.1
95.04966	2.4
96.08141	9.2
97.02904	5.1
99.02687	11.2
101.04286	1.2
109.02884	2.1
112.03982	4.3
116.01691	4.4
116.04559	1.3
116.05322	14.5
116.07101	2.9
116.13679	0.7
119.04951	12.9
120.08049	1.1
120.99710	0.7
124.07613	6.9
126.09113	1.4
127.03903	3.3
130.05032	3.6
130.06662	0.8
136.05197	1.7
137.05988	1.1
142.03220	3.2
142.08636	3.2
144.01161	1.5
144.04787	1.5
145.04962	3.6
151.07558	100.0
152.41687	0.9
162.02222	2.8
165.09152	1.0
169.08636	9.9
170.02730	1.2
170.06734	1.6
170.08138	26.4
179.04869	4.5
180.08794	1.0
193.08649	1.2
202.05347	15.1
219.08014	14.6
245.05930	2.4
245.09529	1.9
259.09619	0.9
261.35242	0.9
273.09045	3.3
277.10852	1.9
291.06448	1.2
348.12143	3.1
373.80182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.1
55.05507	2.3
56.05043	8.2
57.03425	1.7
58.06608	8.0
58.99599	8.0
60.04521	4.0
61.02930	1.9
65.03947	3.0
67.05507	2.2
68.05040	4.3
69.03438	5.7
69.07063	3.9
69.59396	8.5
70.06599	17.5
72.08176	6.4
73.01162	6.6
74.00705	1.3
74.02447	2.7
74.06087	1.9
76.02234	14.9
76.03995	1.4
80.05025	1.6
81.03435	2.1
82.06570	1.8
83.06095	2.1
84.04514	100.0
84.08151	10.9
85.02911	17.7
85.08472	1.9
86.06040	1.6
86.09709	15.3
86.99063	1.2
88.02213	1.6
88.04003	1.8
90.11267	1.1
91.05499	12.0
95.04981	3.9
96.08140	25.5
97.02912	5.2
99.02686	31.3
101.04256	3.1
102.05569	3.0
110.07173	5.3
112.03990	14.6
116.01691	12.6
116.05331	38.8
116.07101	11.8
119.04983	9.7
120.08109	10.7
123.08085	3.4
124.07590	21.0
126.03710	1.6
126.09155	4.6
127.03947	2.9
129.06660	1.7
129.10233	7.0
130.05013	9.9
136.05231	1.9
136.06190	4.7
136.07614	2.8
137.05989	1.7
142.03224	7.3
142.08643	11.6
144.01163	3.9
144.04773	3.9
145.04996	3.0
151.07559	83.5
160.00670	2.3
162.02237	9.9
162.05829	1.9
168.10242	3.0
169.08620	3.6
170.08142	80.5
172.04306	2.5
173.12904	3.5
179.04861	10.5
186.11215	3.6
196.04262	1.6
201.12433	1.7
202.05356	42.5
215.13890	1.6
219.08009	31.2
222.05219	1.6
231.11374	2.4
245.05937	5.5
245.09569	5.7
273.09033	10.1
291.06476	5.1
342.15799	1.4
348.12180	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	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01877	2.6
55.05516	0.8
55.18242	0.7
56.05026	2.1
57.03434	1.6
58.06592	2.8
58.99581	2.9
61.02911	2.7
64.17977	0.8
68.05034	1.8
69.03436	4.0
69.07082	0.9
69.46296	3.7
69.46717	2.0
70.06590	2.6
72.08180	1.5
73.01141	3.0
74.02431	1.4
76.02236	4.9
77.18262	0.8
81.03416	2.7
84.04508	30.3
84.08143	1.7
85.02911	22.4
86.09720	1.6
86.99010	1.6
91.03956	1.4
91.04906	0.9
91.05484	15.1
91.62711	0.7
92.21044	0.8
95.04964	2.7
96.08135	8.8
97.02909	5.7
99.02689	8.7
99.04463	0.7
101.04253	1.1
109.02876	1.6
112.03965	5.2
116.01706	3.5
116.05322	13.6
116.07098	3.8
119.04117	1.0
119.04950	14.1
124.07611	4.7
126.09181	1.4
127.03933	4.2
130.04988	3.1
130.06517	1.9
130.28351	0.7
136.05219	1.6
137.06000	1.4
140.54639	0.8
142.03236	2.9
142.08652	4.3
144.01205	1.8
145.04991	4.5
151.07555	100.0
152.07948	1.8
160.00609	0.8
162.02248	3.1
165.09111	1.0
169.08604	8.2
170.08139	22.0
175.71594	0.7
179.04892	3.2
180.08730	1.1
182.06375	1.4
193.08652	2.1
202.05351	14.2
219.08009	12.5
245.05905	1.1
245.09573	2.1
259.09717	0.8
270.12271	0.8
273.09000	2.4
277.10806	1.5
291.06561	1.2
342.87424	0.7
346.38446	0.8
348.12299	2.4
348.16306	0.9
353.35333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.0
55.05505	1.6
56.05050	5.7
58.06604	8.5
58.99590	7.8
65.03952	2.2
67.05507	2.2
68.05039	3.9
69.03428	1.2
69.07058	0.9
70.06596	4.4
70.67544	1.7
73.01142	9.3
74.00658	1.2
74.02433	3.4
76.02233	16.5
76.04003	1.8
80.05024	1.5
81.07042	0.6
81.46323	0.8
82.06591	1.6
83.06117	1.1
83.07375	0.8
84.04510	100.0
84.08142	2.7
85.02910	1.3
85.04863	0.8
85.95596	0.6
86.06052	1.1
86.99068	2.4
88.02235	1.5
89.04182	0.6
94.06591	0.8
95.34823	0.6
96.04517	0.7
96.08138	30.8
98.00692	0.7
98.09700	0.7
99.02684	32.5
101.04262	4.0
102.05566	1.1
112.03976	15.2
114.03735	1.1
114.04497	0.8
116.01692	12.0
116.05325	39.4
116.07085	9.2
117.05653	0.8
124.06700	1.2
124.07594	21.0
126.03777	2.2
126.09180	3.4
127.02184	1.4
129.06580	1.1
130.05002	10.4
142.03233	11.0
142.04927	0.7
142.08650	14.9
144.01143	3.0
144.04791	2.7
160.00647	2.7
162.02213	10.9
170.02698	2.1
170.08134	84.4
171.08528	1.2
172.04291	1.4
179.04866	11.3
182.06384	2.3
188.03827	0.9
202.05341	43.0
207.45308	0.7
219.07993	34.4
227.08369	1.3
229.06398	1.5
245.05963	4.5
245.09581	7.7
247.07472	0.9
255.08009	1.2
273.05835	1.1
273.09000	7.5
291.06393	5.2
348.12180	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	348.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.6
53.65910	0.5
54.23933	0.5
55.01873	4.6
55.05508	1.9
56.05039	6.7
56.05296	1.0
58.06602	7.6
58.99581	7.5
60.04539	0.8
61.01141	0.6
65.03947	1.7
67.05499	2.4
68.05035	4.7
69.03427	1.3
69.07071	1.9
70.06577	4.4
70.68248	1.3
70.68626	0.8
73.01142	9.8
74.00678	1.2
74.02448	3.2
76.02230	14.0
76.04010	1.5
80.05012	1.5
80.20049	0.7
81.07069	1.2
82.06577	2.8
83.06118	0.6
83.07341	0.7
84.04507	100.0
84.08144	1.7
85.02905	1.4
85.04869	0.7
86.06085	1.1
86.99067	2.5
88.02216	1.3
95.07083	0.7
96.08132	29.9
99.02679	30.3
101.04246	4.0
112.03970	13.8
113.04221	0.7
113.21130	0.7
114.03773	1.2
114.05613	0.8
116.01676	13.0
116.05321	39.8
116.07073	8.7
124.07593	23.0
126.03796	0.7
126.09141	3.0
127.02169	1.1
129.06601	1.5
130.04985	7.1
136.06227	1.4
142.03220	8.8
142.08635	13.5
144.01143	3.3
144.04802	2.1
145.03249	1.1
156.04831	0.8
160.00670	2.4
162.02211	9.5
165.02519	1.0
170.02733	2.0
170.08131	79.3
171.08456	1.0
172.04266	1.4
179.04855	12.3
182.06389	2.3
188.03854	1.1
192.01140	1.1
199.05283	1.0
202.05331	43.2
210.05899	0.8
212.03825	0.9
219.07997	35.5
227.05054	0.7
227.08543	0.9
229.06438	1.3
245.05919	4.7
245.09581	6.8
255.08142	0.6
258.02634	1.7
265.47577	0.6
273.09018	7.4
291.06403	5.5
342.65060	0.7
348.12268	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	348.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14770	0.5
54.12999	0.5
55.01872	5.2
55.05514	1.4
56.05038	6.5
57.55274	0.4
58.06602	6.7
58.99588	7.7
62.35590	0.5
65.03934	2.8
67.05508	1.9
68.05039	3.3
69.03431	1.1
69.07074	1.7
69.54980	0.5
69.90548	2.4
70.06601	4.6
73.01146	9.7
74.00665	1.1
74.02438	2.8
74.09721	2.0
76.02232	13.3
76.04001	1.4
80.05032	1.3
81.07073	1.0
82.06586	2.1
83.06089	0.7
83.07362	0.7
84.04508	100.0
84.07694	0.6
84.08152	2.4
85.02908	1.0
85.04873	0.5
86.06049	0.7
86.09742	0.7
86.99063	2.6
88.02230	1.3
89.04289	0.7
94.06565	0.8
96.08135	28.2
96.43359	0.5
97.55508	0.5
98.06036	0.6
98.09732	1.1
99.02686	29.1
100.46120	0.5
101.04231	3.0
102.03780	0.7
102.05505	0.7
112.03970	13.6
114.03786	0.7
114.05479	0.8
114.70200	0.5
116.01686	11.3
116.05324	39.3
116.07076	8.4
120.08051	0.7
124.02199	0.5
124.07607	19.9
126.03727	1.7
126.09175	3.6
127.02155	0.8
128.55276	0.5
129.06644	0.9
130.05023	8.5
142.03244	9.1
142.08643	13.0
144.01132	3.8
144.04794	3.1
145.03137	0.9
160.00652	1.9
162.02213	9.9
170.02670	1.8
170.08136	78.0
171.08517	1.0
172.04309	1.3
179.04860	11.8
182.06331	1.5
188.03874	0.6
188.05487	0.5
199.05426	0.9
202.05342	39.3
203.05614	0.5
219.07997	33.6
227.08536	1.2
229.06435	1.5
245.05923	4.7
245.09558	7.3
247.07460	0.7
273.05536	0.9
273.09070	8.1
291.06467	4.7
330.11273	0.7
331.09467	0.6
348.12262	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	348.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70829	0.6
55.01870	5.6
55.05510	1.3
56.05032	6.5
58.06601	8.8
58.99593	8.0
64.50670	0.6
65.03940	1.9
67.05502	2.4
68.05035	4.3
69.03420	0.9
69.07077	1.3
69.95248	1.7
69.95638	1.1
70.06598	4.5
73.01145	8.7
73.01530	1.0
74.02452	3.8
74.09727	5.8
76.02232	15.9
76.04005	1.5
79.05492	0.8
80.05022	1.8
81.07085	1.0
82.06594	1.9
83.07348	0.7
84.04508	100.0
84.08152	1.7
85.02889	1.1
86.06060	1.5
86.99055	2.7
88.02238	1.6
96.08135	30.5
99.02688	30.3
99.03336	1.5
101.04244	3.1
112.03973	14.4
113.43632	0.6
114.03795	0.8
116.01682	14.2
116.05325	38.1
116.07075	8.7
124.07600	23.2
126.03773	1.4
126.09154	4.2
127.02155	0.8
129.06607	2.0
130.05014	7.6
135.96217	0.6
142.03229	10.2
142.08630	13.3
144.01147	4.5
144.04767	3.1
160.00648	1.7
162.02220	9.4
170.02702	2.0
170.08134	86.2
171.08383	0.8
172.04256	1.3
179.04886	10.9
182.06345	2.7
188.03745	1.1
199.05411	0.8
202.05345	41.3
219.07996	36.1
227.08456	1.1
229.06401	1.4
245.05908	5.0
245.09590	7.2
247.07355	0.9
255.08028	1.1
273.05219	0.7
273.06134	0.9
273.09061	7.3
291.06406	4.7
331.09641	1.0
348.12271	8.6
348.27393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
55.05501	0.7
56.05039	5.9
56.05293	0.7
58.06602	6.4
58.99591	7.4
61.01146	1.2
63.37633	0.4
65.03938	1.4
67.05499	2.5
68.05027	2.7
69.03436	1.0
69.07078	1.4
69.63509	2.4
70.06599	4.2
72.08155	0.5
73.01148	9.8
74.00676	0.9
74.02051	0.5
74.02440	3.3
74.06107	0.4
74.09699	1.4
75.02718	0.5
76.02232	15.5
76.04026	0.8
79.05486	0.7
80.05016	1.1
81.07050	0.8
82.06579	2.4
83.06119	0.5
83.07363	0.7
84.04509	100.0
84.08150	2.4
85.02912	1.1
85.04872	0.7
86.06086	1.3
86.99081	2.4
88.02235	1.1
96.08137	29.3
98.00645	0.7
98.06063	0.6
98.09678	0.7
99.02684	30.1
101.04243	2.9
104.98311	0.7
112.03969	12.3
113.02363	0.4
113.04227	0.6
114.03789	0.8
114.05543	0.7
116.01686	11.2
116.05322	36.6
116.07074	7.8
124.07600	22.3
126.03736	2.0
126.09169	4.3
127.02126	0.9
129.06635	1.6
130.05009	8.1
136.06134	0.4
142.03235	9.2
142.04979	0.7
142.08644	12.9
144.01158	3.9
144.04778	2.6
145.03236	0.4
160.00664	1.8
160.04298	0.6
162.02205	8.2
170.02730	1.9
170.08131	80.5
171.08575	1.1
172.04263	1.1
174.05876	0.5
179.04861	11.2
182.06366	1.9
183.05849	0.8
188.03781	0.6
199.05452	0.9
202.05338	33.1
203.05675	0.5
215.26802	0.5
219.07996	28.2
220.08313	0.4
226.05333	0.4
227.04893	1.0
227.08478	1.4
229.06371	1.0
245.05952	4.9
245.09569	7.9
247.07387	0.7
255.08017	0.7
273.05832	0.8
273.09009	7.1
286.12073	0.6
291.06482	4.5
323.10962	0.5
330.11136	1.3
331.09488	0.5
348.12234	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	348.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.2
55.05515	1.4
56.05038	6.6
56.52318	0.9
58.06604	8.4
58.99587	7.3
65.03923	2.2
67.05504	2.4
68.05035	3.8
69.03435	1.3
69.07062	1.2
70.06598	5.7
70.61755	2.4
71.51888	0.8
72.08158	2.9
73.01140	10.0
74.00640	1.9
74.02451	3.4
74.06072	0.9
76.02225	12.8
76.04030	1.1
80.05017	1.2
82.06600	1.3
84.04508	100.0
84.08144	4.4
85.02901	1.0
86.09698	2.4
86.99052	3.0
88.02232	1.3
96.04510	1.0
96.08135	24.9
99.02679	32.9
101.04236	1.4
110.07166	1.5
112.03976	16.9
114.03792	2.0
116.01698	12.3
116.05324	43.5
116.07078	10.9
120.08115	0.9
124.07600	18.9
126.03777	1.8
126.09184	4.2
127.02132	1.7
129.06621	1.7
129.10155	1.5
130.05017	8.9
136.07527	0.9
142.03229	9.7
142.08649	12.7
144.01164	3.0
144.04813	3.0
145.03200	1.7
160.00627	2.6
160.04361	1.3
162.02209	9.5
162.05876	1.3
170.08130	73.7
172.04289	1.8
179.04868	10.5
182.06378	2.8
199.05496	0.9
202.05342	45.8
219.07990	43.7
227.08603	1.5
245.05899	5.1
245.09576	8.7
273.09018	8.8
276.30008	0.8
291.06348	4.7
302.11575	0.9
331.10065	0.9
348.12207	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	348.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40133	0.6
51.47986	0.5
54.25718	0.5
55.01871	5.6
55.05512	1.6
56.05039	5.2
58.06606	8.1
58.99591	7.7
65.03936	1.7
67.05515	2.8
67.75679	0.5
68.05033	3.6
69.03429	1.4
69.07075	1.1
70.06599	4.7
70.63152	1.0
73.01154	9.6
74.00690	1.1
74.02438	3.5
76.02234	14.7
76.04001	1.4
79.05525	0.6
80.05007	1.6
81.07059	0.6
82.06589	2.7
83.06108	1.2
83.07361	1.1
84.04510	100.0
84.08153	1.8
85.02905	1.3
86.06097	1.2
86.99074	2.1
88.02235	1.2
93.05161	0.5
94.06593	0.7
94.20207	0.5
96.04516	0.6
96.08138	26.7
98.00632	0.7
98.06039	0.5
99.02686	33.3
101.04253	3.6
102.05533	0.6
109.63460	0.5
112.03971	14.7
114.03777	0.8
114.05563	0.5
116.01695	12.1
116.05326	42.0
116.07085	9.4
124.07603	21.1
126.03750	1.2
126.09173	2.9
127.02167	1.5
129.06627	2.0
130.05020	8.0
142.03235	9.8
142.04913	0.6
142.08643	14.0
144.01131	4.4
144.04799	2.3
145.06024	0.5
160.00665	2.3
160.04311	0.8
162.02219	8.7
170.02725	1.4
170.08138	80.1
171.08476	1.2
172.04295	1.2
179.04861	11.2
182.06389	1.8
188.03818	0.7
194.13594	0.6
199.05389	0.8
199.31264	0.6
202.05345	42.6
219.08012	35.0
227.04843	0.7
227.08485	1.3
229.06342	0.9
245.05937	4.8
245.09564	6.8
247.07349	0.8
255.07930	0.9
273.05728	1.2
273.09018	6.7
291.06448	4.5
330.10950	1.4
331.09555	0.9
348.12241	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	348.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39801	0.4
55.01870	5.3
55.05507	1.3
56.05036	5.5
58.06605	7.3
58.99585	9.1
61.01148	0.9
65.03938	1.5
67.05505	2.1
68.05045	4.0
69.03432	1.3
69.07072	1.3
70.06591	5.6
70.36898	1.8
72.08170	0.8
73.01141	8.8
73.01524	0.7
74.00682	1.1
74.02443	3.7
74.06078	0.5
76.02229	12.8
76.04010	1.0
79.05501	0.5
80.05037	1.7
81.07068	0.8
82.06578	2.5
83.07368	1.4
84.04507	100.0
84.08134	2.5
85.02922	0.9
85.04858	0.6
86.06047	1.2
86.09708	1.1
86.99059	1.7
88.02222	0.9
89.04289	0.7
94.06567	0.7
96.08131	27.4
98.00639	0.8
99.02681	30.5
101.04231	3.8
102.05558	0.8
102.07821	0.6
112.03970	16.1
114.03749	1.9
114.05544	0.9
116.01681	12.7
116.05321	41.8
116.07075	9.6
120.01182	0.7
120.08090	2.0
124.07596	19.9
126.03729	1.6
126.09160	3.6
127.02118	1.4
129.06577	0.9
130.05020	8.2
136.06244	0.8
142.03221	8.6
142.08636	12.7
144.01134	3.2
144.04778	2.9
156.04828	1.2
160.00694	1.6
160.04321	0.8
162.02205	8.8
162.05873	0.8
170.02760	1.4
170.08128	80.5
171.08450	1.2
172.04224	0.7
179.04854	12.2
182.06352	1.8
183.05861	0.7
188.03731	1.1
199.05374	1.0
199.08917	0.5
202.05336	40.8
213.85358	0.5
215.67920	0.5
219.07996	37.2
227.04848	0.5
227.08499	1.1
229.06430	1.5
245.05876	4.3
245.09546	7.4
255.07878	0.6
259.47397	0.6
273.05783	0.9
273.09048	8.2
291.06482	5.0
331.10001	0.6
348.12253	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	348.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03472	0.6
55.01875	4.8
55.05517	1.3
56.05039	7.5
56.28928	0.6
58.06600	7.1
58.99591	7.8
65.03930	1.0
67.05511	2.4
68.05038	3.4
69.03444	1.8
69.07075	1.7
69.60131	3.6
70.06602	3.9
73.01144	8.7
74.00644	0.9
74.02436	3.1
76.02231	14.2
76.04013	1.3
80.05022	1.3
80.26916	0.7
82.06579	2.1
83.07377	0.9
84.04509	100.0
84.08151	2.9
85.02892	0.9
85.04845	0.6
86.06062	0.9
86.99056	2.4
88.02227	1.4
89.04184	0.6
96.00401	0.6
96.04509	1.0
96.08134	29.1
99.02685	27.6
101.04250	3.1
102.05549	0.9
107.04963	0.8
112.03975	11.3
112.04745	0.8
114.03779	1.1
116.01681	12.2
116.05325	38.0
116.07082	9.2
121.06499	0.5
124.07606	22.9
126.03751	1.9
126.09146	3.3
127.02139	1.6
129.06602	1.4
130.05022	8.6
142.03224	8.0
142.04938	0.8
142.08638	14.5
144.01166	3.8
144.04787	2.9
145.03067	0.8
151.08151	0.6
154.09840	0.6
160.00667	1.5
160.04364	0.8
162.02214	9.9
170.02730	1.6
170.08133	88.0
171.08531	0.8
179.04874	14.3
182.06323	1.3
188.03783	0.7
196.55916	0.6
199.05325	0.9
202.05334	39.0
210.05824	0.6
219.07991	32.1
227.08565	1.4
229.06319	1.7
238.12242	2.3
245.05989	4.7
245.09572	6.9
247.07524	0.9
255.07980	1.2
273.05548	1.6
273.09009	6.9
284.12772	2.1
291.06436	6.6
323.07248	0.7
330.11115	1.4
331.09384	1.1
348.12268	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	348.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51399	0.6
55.01871	3.8
55.05512	1.3
56.05035	6.9
57.13477	0.5
58.06607	6.1
58.99590	6.8
60.04522	1.4
65.03958	0.9
67.05511	1.4
68.05030	3.0
69.03439	1.1
69.07069	1.5
70.06602	4.2
70.12118	2.2
72.08162	2.7
73.01138	7.2
74.00661	0.8
74.02452	3.0
74.91148	0.5
76.02233	16.4
76.04000	1.2
80.05012	1.4
81.07053	0.8
82.06590	1.7
83.06109	0.7
84.04510	100.0
84.08146	4.2
85.02904	1.5
85.04857	0.6
86.06050	1.5
86.09708	3.0
86.99072	1.9
88.02203	1.4
88.04025	0.7
89.04223	0.7
89.13829	0.5
91.05474	0.6
96.04498	0.6
96.08136	29.9
98.00678	0.8
99.02688	25.7
101.04244	3.3
102.05549	1.6
110.07187	0.6
112.03968	11.4
113.02459	0.5
114.03783	1.3
114.60820	0.5
116.01675	12.6
116.05323	35.0
116.07086	8.0
116.86383	0.5
118.16986	0.5
120.08110	2.3
124.07605	22.4
126.03734	2.1
126.09151	4.3
127.02082	1.1
129.06587	1.1
129.10265	1.4
129.82256	0.5
130.05013	7.2
131.51054	0.5
142.03227	10.5
142.08652	13.7
144.01106	3.3
144.04779	2.8
145.03255	0.8
146.02596	0.5
151.07570	2.3
155.38914	0.6
160.00667	2.5
162.02222	10.1
169.05971	0.6
170.02776	2.6
170.08134	94.1
171.08459	0.8
172.04283	1.1
173.12872	2.0
179.04861	12.5
182.06395	2.1
183.05870	1.0
188.03787	0.8
199.05356	1.1
201.12289	0.8
202.05338	34.7
219.07993	30.4
227.04691	0.9
227.08430	1.2
229.06310	1.0
245.05952	4.7
245.09567	7.5
247.07420	0.9
255.08009	0.8
273.05685	1.1
273.09055	8.0
291.06476	6.0
330.11194	1.0
331.09457	0.6
348.12189	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	348.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
55.05516	1.0
56.05037	5.7
58.06390	0.7
58.06606	7.3
58.74530	0.7
58.99589	9.1
59.26007	0.6
65.03942	1.4
67.05508	3.0
68.05025	3.1
69.03436	1.1
69.07059	1.8
69.32453	5.6
70.06598	5.3
73.01148	8.8
74.00658	1.2
74.02435	3.5
76.02233	14.1
76.04010	1.1
79.05495	1.0
80.05022	1.4
82.06588	2.0
83.06090	0.7
83.07369	1.0
84.04508	100.0
84.08162	2.2
85.04854	0.6
86.06090	1.6
86.99068	2.2
94.06585	0.7
96.08135	30.6
98.00659	1.0
99.02683	27.2
101.04221	3.2
101.26300	0.8
112.03975	13.7
114.03754	0.8
116.01689	13.2
116.05326	38.0
116.07095	7.2
124.07601	22.0
124.08485	1.3
126.03790	1.4
126.09185	3.5
127.02142	1.3
129.06633	1.8
130.04990	7.0
142.03238	9.2
142.08641	14.6
144.01167	3.0
144.04791	1.8
145.03224	1.0
160.00661	2.3
162.02202	9.3
170.02782	1.4
170.08131	76.9
172.04353	1.2
179.04860	11.3
182.06393	1.8
188.03856	0.9
199.05379	0.7
202.05342	37.2
219.08002	34.4
227.08577	1.6
229.06502	1.1
245.05919	4.2
245.09651	7.1
247.07561	0.9
273.08975	6.7
286.12766	0.8
291.06537	5.3
348.12277	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	348.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78505	0.5
55.01869	5.1
55.05517	1.4
56.05038	6.6
58.06600	6.8
58.99587	8.2
64.45647	0.5
65.03944	1.8
67.05511	1.9
68.05027	3.6
69.03423	1.3
69.07085	1.3
70.06599	5.7
70.54201	1.5
72.08139	0.6
73.00770	1.0
73.01142	9.1
74.00663	0.7
74.02444	3.0
76.01820	1.0
76.02232	12.9
76.02673	0.8
76.04008	1.4
80.05010	1.4
81.07068	1.4
82.06582	1.7
83.06101	0.6
83.07372	1.1
84.04507	100.0
84.08137	2.8
85.02907	0.8
86.06077	0.8
86.09708	1.2
86.99052	1.9
88.02208	0.8
90.46357	0.6
93.07053	2.1
94.06544	0.7
96.08135	28.8
98.00645	0.6
98.09710	0.6
99.02686	30.5
101.04245	2.9
102.05515	0.7
112.03973	15.4
114.03748	1.0
116.01678	10.5
116.05325	39.8
116.07082	10.3
120.08062	0.9
124.07601	18.6
126.03754	0.9
126.09174	4.0
127.02110	1.4
129.06613	1.5
129.10382	0.6
130.05008	9.6
136.06207	0.8
142.03233	9.8
142.07561	0.9
142.08652	13.4
144.01144	3.7
144.04799	2.5
145.03227	0.7
160.00681	2.6
160.04321	0.7
162.02199	8.4
170.02699	1.6
170.08131	76.5
171.08472	0.6
172.04298	0.8
179.04872	11.3
182.06374	2.1
188.03987	0.5
202.05338	39.2
219.07988	35.4
227.08432	0.7
229.06433	1.4
245.05907	5.0
245.09616	7.2
247.07536	1.2
255.07655	0.6
273.05850	0.8
273.09024	7.5
286.12357	0.6
291.06400	4.4
330.11023	0.9
330.26257	1.1
348.12277	7.5
348.27338	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	100.0
60.04523	1.9
61.26389	0.9
63.99910	0.9
66.00507	0.7
68.59106	0.8
70.06606	1.6
70.26457	3.4
71.95267	3.2
72.02909	0.8
72.08155	3.5
74.06078	2.1
74.97613	3.5
76.93835	0.9
84.04512	6.7
84.08139	3.8
84.96048	12.8
86.09712	16.1
88.93755	11.2
98.97597	2.5
100.93745	1.7
102.05541	2.4
102.97097	2.1
110.97578	0.9
112.97330	1.9
112.99151	2.9
115.00678	2.8
116.17371	0.9
116.93196	4.1
116.98621	0.9
122.06036	2.1
124.03292	0.8
128.96852	3.2
128.98572	1.7
129.10243	3.2
129.93993	6.0
130.05002	1.7
130.10571	1.1
130.98430	2.7
131.00201	1.4
132.10214	2.3
133.01738	2.4
134.94260	1.8
136.06187	6.0
141.02277	8.2
143.09924	0.8
146.97891	65.3
147.07640	1.2
147.95094	4.2
148.99474	3.1
149.01221	1.7
150.05540	1.7
159.03296	6.3
160.06497	2.3
164.98964	75.0
165.96077	1.1
168.06633	2.1
169.01752	1.1
170.04843	1.3
170.97910	7.6
171.07693	1.3
172.99510	1.3
173.12973	1.1
176.05957	1.0
182.99998	10.2
187.02818	1.9
187.14465	1.3
188.05948	1.4
188.98955	36.6
191.00504	5.4
197.12877	1.1
201.12270	1.5
206.07068	4.1
207.00012	45.0
215.13916	2.6
216.07329	1.2
216.98340	4.8
217.08189	1.6
219.01608	1.1
224.08069	4.3
225.01085	3.0
234.99501	55.6
243.13403	1.5
253.00568	64.1
258.00970	1.7
260.06357	1.8
271.01605	2.5
278.07370	13.6
296.08481	4.9
302.07324	2.7
320.08597	1.3
330.07043	4.6
330.10468	0.9
348.07932	28.7
349.08255	1.1
366.08871	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	347.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03671	0.9
56.05031	2.2
56.96568	100.0
60.04527	2.6
64.71397	0.8
69.03437	1.2
69.07066	1.7
70.06606	2.1
70.98130	1.2
71.54879	1.5
71.95277	3.9
72.08157	5.6
73.02911	0.8
74.06079	2.6
74.97608	2.0
79.73657	0.8
83.06103	1.2
84.04514	4.9
84.08149	30.6
84.96042	19.7
85.02914	2.4
86.09708	10.4
88.04003	1.8
88.93752	13.1
97.02898	2.1
98.97601	4.8
101.00888	1.5
102.05592	0.9
102.96985	2.3
106.05093	0.8
110.06068	0.8
110.97607	2.1
112.99125	4.3
113.00959	0.9
113.03488	0.9
115.00703	3.3
115.02467	1.3
116.93232	3.1
116.98620	1.8
119.01952	1.3
128.10771	0.9
128.96843	3.7
128.98608	2.4
129.10246	30.2
130.05043	2.0
130.08647	1.6
130.93311	0.8
130.98395	0.8
131.00186	3.4
131.01924	1.5
133.01779	1.4
133.03491	1.2
134.94254	1.4
136.06178	1.4
143.11758	0.9
145.03456	1.6
145.46591	0.9
146.97884	87.1
147.03131	1.3
147.07671	2.4
147.11330	2.8
148.99475	2.2
149.01201	1.9
149.22717	0.8
156.03378	0.9
163.04614	0.8
164.98955	93.1
167.00528	2.9
169.03313	0.9
169.99532	0.8
172.01059	1.9
172.94441	1.7
173.03105	1.2
173.12904	3.2
177.00648	0.9
182.54944	1.2
183.00014	14.5
183.01547	0.6
185.10086	1.4
186.04370	1.3
187.14447	1.5
188.00626	1.3
188.05923	0.8
190.02142	10.6
191.04007	1.2
201.02510	1.0
206.07011	0.9
206.99995	1.5
208.03232	1.8
215.99904	4.6
216.13466	3.5
219.01741	1.6
221.05148	1.6
224.98389	0.7
225.00630	1.0
232.96475	1.5
233.00726	1.3
234.01083	61.9
234.10492	1.0
234.14531	1.3
236.02837	1.0
237.02992	1.2
242.01617	1.1
242.15128	1.5
246.98140	0.9
248.02762	1.8
251.02383	1.1
252.02155	61.7
254.03888	1.1
256.57547	1.1
256.96442	2.8
257.02869	1.7
270.03226	1.9
274.04120	0.9
274.97415	4.5
275.04089	1.4
278.07227	4.6
296.08417	1.8
304.98648	2.5
305.03714	1.5
322.99527	0.9
347.04749	1.7
347.09521	24.3
347.15671	1.6
347.22989	6.1
365.05966	1.1
365.10760	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53558	1.0
54.18682	1.0
56.05003	1.1
57.03442	7.2
58.99594	7.5
59.96712	1.1
61.01155	15.5
64.36051	0.9
64.45736	1.0
67.05508	1.9
69.07055	2.8
69.34251	7.5
70.06590	2.7
70.99562	1.5
73.01144	100.0
74.01461	1.5
74.01907	1.9
75.00719	7.2
75.02708	17.4
76.02206	1.2
76.66496	1.3
77.02271	1.3
79.05479	2.8
81.07045	2.5
84.04518	9.9
84.08132	3.1
85.01126	1.2
85.06525	1.8
86.09675	1.2
86.99052	3.7
87.02658	1.0
89.00619	6.8
91.02163	1.4
91.05520	1.7
92.98314	2.4
93.03736	1.5
95.08632	1.0
96.08128	3.2
97.06522	3.2
99.02675	4.1
101.04240	5.5
104.98322	37.6
106.97921	5.6
110.07112	1.0
111.02651	1.5
112.04034	1.5
113.04247	5.0
114.05001	1.2
115.05772	3.2
116.01712	1.5
116.05309	4.6
116.07102	1.4
119.08563	1.3
120.08105	1.4
120.97746	2.7
124.07648	1.5
129.03700	9.3
129.10262	1.1
137.05920	1.6
142.08669	1.3
145.01410	8.3
147.02986	2.4
163.02477	25.1
165.02058	4.2
165.04037	12.5
170.08157	6.2
178.05826	1.0
188.11790	1.5
190.96204	1.1
202.05363	5.2
219.08038	3.7
232.09532	1.0
255.05524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.0
57.07075	1.7
58.06608	0.8
58.99578	3.0
61.01143	1.9
67.05502	2.3
69.07074	5.2
69.26962	0.5
69.32853	0.5
69.76699	3.0
71.08639	1.0
73.01151	3.8
73.02937	0.6
74.06077	1.2
78.96778	1.7
79.05498	8.1
80.87962	0.6
81.07059	0.7
85.01138	1.1
85.10216	0.6
87.02659	0.5
88.07631	3.0
95.04988	0.7
95.08593	0.7
96.36198	0.5
97.01116	1.2
97.02866	0.6
97.06532	3.7
98.01917	0.6
99.02693	7.1
101.04259	5.2
104.98341	3.2
105.07008	0.7
110.93941	2.9
111.02654	4.0
112.03468	6.6
113.04238	100.0
114.05035	8.4
115.02158	0.6
129.03729	5.1
130.04495	3.4
131.00095	0.7
131.05276	3.6
136.95439	0.7
142.91167	0.8
142.99884	1.4
144.00610	1.0
145.01425	13.0
147.03026	1.6
149.01277	1.3
156.03685	1.8
161.00885	1.1
163.02475	1.8
170.99706	0.9
174.97168	0.6
176.98602	0.9
188.99506	0.5
194.99684	2.1
228.05792	1.0
266.14807	1.3
284.29468	0.7
298.31088	1.9
346.33173	9.4
347.17178	3.3
347.33572	1.4
347.67392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95698	0.7
60.53034	0.7
61.01141	2.7
67.05462	1.2
69.07062	1.2
70.06586	1.4
71.55636	0.9
72.97240	2.5
73.01147	1.1
79.05482	1.4
79.62691	0.7
86.09664	1.0
92.98338	2.1
94.97916	1.3
97.06523	1.5
101.04258	1.3
102.39822	0.7
104.98288	1.2
106.44953	0.7
106.97874	0.8
111.99571	31.5
113.04227	9.6
134.77464	0.7
145.01443	1.0
147.02968	1.1
152.02673	2.5
153.03516	0.8
169.02931	3.0
182.98996	0.8
185.00671	100.0
192.25642	0.8
203.01688	6.7
226.03314	3.3
257.01056	13.4
258.01785	2.8
298.03748	0.9
347.02377	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.05514	17.9
56.05039	11.4
57.07086	22.9
58.06588	4.5
60.04530	100.0
67.05515	34.6
69.03432	3.0
69.07077	22.8
69.79541	3.4
69.79938	7.5
70.06584	7.3
71.08627	9.6
72.04528	5.5
74.06088	4.7
79.05495	28.3
81.07063	31.4
81.86619	2.0
82.06586	13.8
83.04980	10.4
83.08620	14.5
84.04508	5.3
85.10197	5.6
86.06061	24.0
86.09701	7.7
88.04004	11.7
88.07628	7.9
90.05558	2.5
91.05471	5.4
93.07050	28.6
95.04973	2.7
95.08614	36.4
96.08147	4.1
97.06522	6.5
97.10192	10.7
98.06052	4.6
106.96405	1.9
107.08607	17.2
109.10160	12.1
110.06065	4.7
111.11686	3.4
113.04221	18.5
113.22527	2.1
121.10164	18.6
123.11757	3.3
126.34375	2.0
135.11702	9.5
147.19987	1.9
149.13310	6.1
151.20499	2.1
159.00711	1.9
234.14906	6.2
247.24301	8.4
254.28461	8.5
264.26843	17.4
265.25299	32.0
270.27939	9.0
280.26410	3.7
282.27942	73.9
282.31006	5.0
284.29465	3.6
290.21112	8.5
292.26382	23.3
298.31046	5.7
300.28986	24.9
310.27368	30.0
318.29907	2.7
328.28503	35.5
346.26965	2.5
346.33240	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
56.04784	0.7
56.05039	9.2
57.03432	1.3
58.06609	4.2
69.03419	0.6
69.07073	8.8
69.27488	1.8
69.27916	2.7
70.02960	0.6
70.06589	4.5
72.08161	4.4
73.01138	0.5
73.04032	2.1
74.06086	22.9
79.05479	0.9
81.07040	1.1
81.85011	0.5
82.06580	0.7
82.45850	0.6
83.08625	0.7
84.04513	8.1
84.08144	3.1
85.02909	2.1
86.09711	64.5
87.10036	1.1
91.05499	0.6
91.30048	0.5
97.02854	0.9
97.06534	0.5
98.02405	0.7
98.09687	1.0
98.20758	0.7
98.97610	0.6
101.07147	20.4
102.05525	1.6
107.08625	0.7
109.10164	0.6
110.06003	0.7
110.07150	0.9
110.09707	0.7
110.93987	0.8
116.07101	0.9
119.08220	0.7
120.08113	2.9
122.09651	0.7
124.11247	2.3
126.09171	2.1
126.12763	1.5
129.10251	2.2
130.05054	0.6
132.10262	2.4
137.05971	0.6
142.08661	0.6
142.12282	11.8
143.11818	6.7
146.11795	3.8
152.10689	0.8
155.08139	0.8
169.13380	1.3
173.09250	0.7
187.14432	100.0
188.14708	1.2
215.13927	23.2
217.15430	0.8
245.18608	1.5
287.05463	2.2
314.10864	0.5
328.24872	0.7
361.02371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05037	7.5
56.59659	0.4
57.03434	0.7
58.06605	3.2
60.04512	0.5
69.07074	7.3
70.06593	3.7
70.08684	2.0
72.08166	3.2
73.04031	1.8
73.04422	0.5
74.06083	22.6
79.05503	0.4
82.06589	0.4
84.04517	6.2
84.08138	2.8
85.02899	0.6
85.08928	0.5
86.09710	54.8
87.10030	0.5
88.03955	0.5
96.08106	0.7
98.02437	0.4
98.09679	1.2
101.07146	19.3
102.05527	0.8
107.08595	0.8
117.32784	0.4
119.08191	0.7
120.08105	1.3
122.09676	0.6
124.11240	2.5
126.09144	2.0
126.12804	2.1
129.10269	1.2
130.06541	0.5
132.10188	1.9
137.05911	0.7
142.12277	11.1
143.11778	5.9
146.11665	0.8
147.04375	0.4
165.12714	0.5
169.13348	1.3
187.14429	100.0
188.14706	1.0
215.13927	20.2
221.81198	0.4
245.18634	1.2
287.05566	1.2
346.06509	0.8
346.22668	0.4
361.02295	0.5
367.53470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2339
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
50.73197	0.4
54.60543	0.5
55.05511	0.8
56.05039	10.2
57.02919	0.5
57.03441	0.8
58.06602	4.9
58.99600	0.5
60.04525	1.5
65.49052	0.5
68.05040	0.5
68.48607	0.5
69.07080	2.2
70.06604	4.9
71.54792	0.8
72.08146	1.7
73.58131	0.4
74.06084	25.2
79.05505	0.6
80.05000	0.8
81.07064	1.5
82.06590	0.9
83.04986	0.7
83.08602	0.7
84.04510	7.8
84.08138	2.9
86.06075	3.3
86.09711	63.8
87.05603	1.4
87.10037	1.0
91.05474	0.8
95.08586	1.0
98.09727	1.5
100.07623	1.2
101.07148	20.2
102.05535	0.8
105.00123	0.5
105.07056	0.5
109.10168	0.6
110.07144	0.7
116.98264	0.4
120.08111	2.0
122.02776	2.7
123.08099	0.5
124.07581	0.7
124.11247	1.7
126.09174	2.1
126.12799	1.8
129.10286	1.2
130.05013	0.7
132.10214	3.5
135.08087	0.5
137.06017	2.9
142.12296	9.6
143.11812	7.2
151.07613	0.5
152.10704	0.6
165.09114	1.0
169.13391	2.2
187.14432	100.0
188.14781	1.6
197.12906	0.9
207.13876	0.7
211.07503	0.6
215.13927	29.1
233.14954	2.8
234.98967	1.3
245.18607	3.8
286.63705	0.5
299.09171	1.6
328.25159	1.0
329.09985	0.6
346.26151	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	346.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
55.01865	0.4
55.05514	7.2
56.05035	1.2
56.25059	0.4
56.94324	0.3
56.96570	2.8
57.03425	0.3
57.05816	0.9
59.07696	0.3
60.04525	1.3
60.05640	0.5
61.02932	0.5
65.80965	0.3
68.45135	0.3
69.03436	1.7
69.07066	0.8
70.06598	6.3
70.48362	1.0
71.05021	0.3
71.06915	0.5
72.08160	100.0
72.97455	0.3
73.02916	0.5
73.08492	1.1
74.06081	1.3
74.33742	0.4
81.03431	0.6
82.06600	0.4
83.06107	0.6
84.04514	6.8
84.08149	5.5
84.96059	0.4
85.02901	2.3
86.09714	8.4
87.05603	0.9
87.10052	1.4
88.04014	0.4
91.05491	0.8
97.02912	1.8
98.20876	0.5
98.71751	0.3
98.97592	2.6
99.04491	0.4
100.07642	0.6
101.00876	0.5
101.02357	0.3
101.07159	0.5
102.05559	2.0
102.09980	0.3
109.02940	0.4
110.07172	0.5
110.97608	0.6
115.03954	0.4
116.07139	0.8
116.98639	1.2
118.08672	1.2
119.01957	0.7
119.04974	0.4
127.03924	0.7
128.98637	0.7
129.10255	3.2
130.05025	4.2
130.08670	0.9
131.06914	0.4
133.06097	0.8
136.07590	0.9
137.06082	0.4
137.08125	0.4
138.09108	0.4
140.08223	0.3
141.10248	0.7
143.00235	0.4
143.01895	1.2
143.11858	0.5
145.05028	0.5
146.97827	0.4
146.99709	0.6
147.07660	2.0
147.11313	0.5
148.06059	8.8
155.11745	0.4
156.03372	0.8
156.10263	0.4
159.11340	0.7
161.02989	1.2
164.99030	0.5
166.08647	0.7
167.08517	0.7
168.09019	0.7
169.09671	0.4
171.14941	30.9
172.15311	0.6
173.12894	1.2
174.04472	0.4
182.03578	0.4
183.11337	0.7
184.06041	0.5
184.09590	0.6
185.09305	0.5
185.16582	0.9
186.04416	1.3
186.16913	1.3
187.14493	0.8
192.08987	0.4
195.08136	0.6
196.08449	0.5
199.14430	16.7
200.14673	0.5
201.12416	1.2
203.04001	0.6
204.05486	1.0
207.00084	0.6
213.16093	0.6
214.16350	0.7
219.01743	0.6
220.08395	0.6
221.05110	0.5
222.09982	0.6
237.02895	0.9
237.11154	1.2
239.12686	0.5
241.10593	0.9
245.05121	0.4
247.12935	5.6
254.13976	0.5
256.12994	0.5
274.97687	0.4
283.11737	1.4
300.14490	1.0
301.12668	0.3
302.15610	0.5
304.98782	0.4
328.05484	0.4
329.12064	1.1
329.18433	0.6
346.07065	0.6
346.15289	1.7
346.22580	1.5
347.08258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37851	0.8
55.01865	0.9
55.05508	8.2
56.05025	1.1
60.04512	1.2
62.99084	0.9
66.85258	0.7
67.05499	1.3
69.03412	1.2
69.07063	2.1
69.29092	5.8
69.29505	1.6
70.02941	2.0
70.06595	7.6
72.08157	84.9
73.02898	1.1
73.08480	0.9
74.06081	1.9
82.06580	6.4
84.04495	2.7
84.08153	7.6
85.02906	1.2
85.04010	1.6
85.08477	1.1
86.09708	47.0
87.10068	1.0
88.03473	1.3
88.03992	13.1
91.05475	2.7
93.06973	0.8
96.08131	3.6
96.50627	0.8
98.02422	4.3
99.09187	2.7
100.03964	1.1
100.07629	0.8
102.05575	1.0
104.07130	1.1
104.56602	0.8
105.07072	0.9
109.02907	1.1
110.07173	1.9
113.10813	0.9
116.03355	0.8
116.07079	1.6
118.06808	0.8
118.08636	1.3
120.08099	1.5
124.07613	5.0
127.03893	1.5
127.08685	15.8
128.07063	3.0
129.10228	4.8
130.06541	1.1
130.94525	1.4
132.08087	2.3
132.10187	9.5
136.06506	0.8
136.07596	2.2
137.06007	0.8
138.09109	1.4
141.10239	5.6
142.07556	1.7
142.08632	25.6
151.07491	0.9
152.07036	2.3
153.05420	1.0
154.05876	1.2
156.10193	3.1
157.09830	0.8
159.09213	1.5
169.09758	6.8
170.06003	3.1
170.08081	1.8
171.06299	1.3
183.11314	1.6
184.09645	2.0
185.09923	0.8
187.10782	100.0
188.11180	1.6
201.12357	23.7
207.13780	0.9
208.04549	1.7
215.10255	24.6
215.13600	1.1
218.09990	0.8
229.11819	4.9
231.16942	1.1
247.12863	1.1
328.13910	0.8
337.18707	1.0
357.06174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16656	0.6
53.03949	0.8
55.05513	12.1
56.05038	1.9
57.05820	1.1
60.04514	1.8
63.27798	0.6
69.03418	0.9
69.07069	5.2
69.55434	2.1
69.55843	2.3
70.02963	1.4
70.06601	5.7
72.08159	100.0
73.07875	0.8
73.08487	6.6
79.05504	1.0
81.03405	1.0
81.07062	1.0
82.06590	2.7
83.05000	1.2
84.04516	5.5
84.08163	3.8
85.02898	1.4
86.09710	42.8
87.05587	1.3
87.10049	1.8
88.03986	8.6
91.05490	1.8
93.07037	1.2
95.08618	0.9
96.08141	1.7
97.19347	0.6
97.42815	0.6
98.02420	2.2
98.09695	0.7
102.05541	1.8
104.07124	6.6
105.07029	1.3
107.04971	1.0
107.08601	2.3
107.13450	0.7
108.12627	0.6
110.02395	0.8
110.06129	0.6
110.07140	1.1
113.00611	0.9
113.05984	0.8
113.10784	0.8
114.09212	0.8
115.05033	0.9
116.03424	1.0
118.06593	1.3
119.04959	0.7
119.08653	1.2
120.08098	3.5
122.02753	2.3
123.08082	0.9
124.07632	4.0
124.08369	0.6
127.03938	0.9
127.08709	4.9
128.07062	1.1
129.10243	3.9
132.10210	10.7
137.86412	0.7
141.10260	4.3
142.08641	8.6
143.11755	1.5
149.03029	0.7
149.09639	1.3
156.10249	3.0
158.02681	0.8
166.03244	2.0
166.08687	2.2
167.07036	0.7
169.09744	8.9
170.08240	0.8
170.10091	0.7
183.11322	1.3
184.04236	4.8
184.09697	0.8
186.12424	1.2
187.10788	38.9
188.11116	0.8
189.12811	1.1
197.12927	3.2
201.12350	14.8
201.14166	0.9
202.05414	5.1
202.10873	0.8
207.13843	2.3
208.04594	0.7
212.09288	1.5
215.10303	20.4
215.13673	3.3
225.12422	0.9
228.10495	0.9
229.11877	4.2
239.11107	0.8
243.13387	0.9
247.12914	11.4
276.44229	0.9
328.15799	2.3
346.16650	1.6
346.25922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13659	1.1
53.03941	1.4
55.01856	3.1
55.05510	3.9
56.05025	1.9
57.03428	4.8
60.04509	3.1
61.02926	9.3
61.07169	1.1
67.62014	1.1
69.03431	19.8
69.07062	4.8
69.32549	9.7
70.06602	10.4
71.04991	2.8
72.08161	27.9
73.02913	4.0
73.08491	3.9
73.15524	1.0
73.76966	1.1
74.06052	1.4
74.27857	1.1
79.05492	5.1
81.03424	7.3
81.11204	1.0
83.01334	1.3
84.04503	6.9
84.08143	11.1
85.02909	100.0
86.09708	54.2
86.10239	2.5
87.04485	2.5
87.05581	1.5
87.10020	3.2
88.03991	4.7
91.03979	5.2
91.05492	2.2
93.07043	1.1
96.08134	1.4
97.02292	1.4
97.02903	24.7
98.02408	1.9
99.04451	3.7
102.05536	2.9
103.05477	11.9
104.05370	1.1
104.07094	3.6
104.98316	1.0
107.04974	2.3
109.02888	8.2
109.52590	1.2
110.07186	2.0
116.07065	1.5
118.08645	2.1
120.08109	3.2
121.06509	82.3
127.03921	23.4
127.08655	3.3
128.08983	1.6
129.10223	7.3
130.94528	1.6
131.04948	3.6
139.07535	3.5
141.10246	3.7
142.10550	1.5
144.06596	1.2
145.04964	41.1
146.06114	1.2
149.05966	3.4
156.10234	2.2
157.13379	2.6
162.07587	2.2
163.06013	9.3
166.08742	1.7
167.07054	9.4
169.09744	1.2
170.10129	1.5
173.12831	1.2
183.11319	2.8
184.09656	2.6
185.13042	1.2
186.12384	3.5
187.10802	1.9
187.12709	4.1
197.13002	1.4
201.12349	15.9
201.14151	1.6
214.11903	1.5
215.10277	1.4
215.12169	1.2
215.13910	2.9
228.90349	1.1
229.11899	4.8
230.15027	1.4
233.11331	2.2
346.25888	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	345.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.95329	0.8
55.01872	1.0
55.05514	10.1
56.05034	2.6
56.25407	0.6
57.05813	1.3
58.06600	1.4
60.04524	1.6
61.02914	0.8
62.99075	4.5
63.99861	2.8
64.98668	1.5
65.99448	1.1
67.05503	0.9
68.13071	0.5
69.03433	5.3
69.05901	0.6
69.07073	6.3
70.02966	3.1
70.06597	8.4
70.70862	1.3
70.71220	1.3
71.06919	1.1
72.08160	100.0
73.01186	0.9
73.02916	1.0
74.00670	0.6
74.06077	1.1
76.02229	1.4
76.04011	0.8
78.71746	0.7
79.05517	1.1
81.03417	0.9
82.06587	1.9
82.59290	0.6
83.06116	1.9
84.04506	14.0
84.08145	13.6
84.08617	1.0
85.02910	13.1
85.04043	2.3
85.04831	0.8
86.09709	50.6
87.05602	10.8
87.10049	1.4
88.04009	2.5
91.03972	0.6
91.05486	0.8
93.07072	0.6
94.06575	0.8
95.01347	3.3
95.05019	0.7
96.08144	2.8
97.02914	2.5
97.06535	0.8
98.02409	5.3
98.09717	0.7
99.09220	2.8
102.05573	1.9
103.05489	1.7
104.07153	1.2
105.07029	0.8
109.02886	1.0
110.02395	5.7
110.06059	1.2
110.07192	2.4
110.94046	0.8
113.10774	2.8
114.78628	0.7
116.01731	1.0
116.05349	0.8
116.07104	4.2
117.28070	0.6
118.08657	1.2
120.08134	2.3
121.06509	8.0
124.04007	0.9
124.07590	5.9
125.06035	2.9
127.03952	2.4
127.08694	10.9
129.10252	8.5
130.05005	3.8
130.08632	1.5
130.10603	0.7
130.94579	10.8
130.95461	1.2
132.10220	4.0
136.07619	1.0
137.06007	1.2
138.09187	1.6
141.10233	14.9
141.11304	0.9
142.08720	0.8
142.55313	0.7
142.62433	0.6
143.11803	1.6
145.04974	4.3
147.11362	1.3
149.05983	1.2
152.07100	2.7
153.05492	2.4
155.11818	3.3
157.09810	1.0
157.13406	0.8
163.06122	0.9
166.08658	6.9
167.06992	1.0
169.09758	11.1
177.03262	1.0
183.11356	2.9
186.12386	33.1
187.10774	3.8
196.14467	0.8
197.09262	4.4
197.12973	2.3
200.13969	8.9
201.12486	2.2
202.12767	1.3
204.07283	0.8
204.13531	2.3
211.10878	1.1
212.09190	5.9
214.11874	20.0
215.05586	1.8
215.10263	1.1
215.14012	1.0
219.08279	0.9
228.13425	3.0
229.11832	5.3
231.17105	1.6
235.07654	1.1
241.15598	1.1
243.13620	0.8
246.14532	9.5
251.05161	0.9
253.05052	0.9
265.08768	1.0
282.08582	1.0
282.18146	4.1
295.09769	1.2
300.19241	1.8
311.16196	2.5
315.16663	1.3
327.20282	1.1
328.12158	0.7
328.18805	2.5
345.06223	1.5
345.22043	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	345.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05518	9.4
56.05040	2.6
58.06602	3.3
60.04528	2.1
62.90928	1.2
68.05033	2.0
69.03445	2.1
69.07070	12.6
70.02962	2.4
70.06599	27.9
71.06932	3.1
71.18829	2.7
72.08164	99.9
73.01136	2.2
73.02932	1.4
74.00668	4.5
76.02220	3.5
76.04013	3.4
79.05527	2.3
81.03423	1.7
81.07095	1.5
82.06586	3.6
83.06105	1.7
84.04520	41.7
84.08154	17.9
85.02921	12.2
85.04043	3.4
85.04842	3.7
86.09715	100.0
87.05595	12.4
87.10052	4.2
88.03996	4.1
94.37146	1.3
95.04954	1.8
96.08137	5.2
97.02886	2.1
98.02429	6.3
98.09690	1.3
99.02697	1.6
99.09203	4.5
102.05573	1.9
103.05462	2.2
103.49833	1.1
104.98327	1.5
107.99431	1.7
109.62923	1.2
110.02425	4.3
110.06096	1.7
110.07169	4.5
110.09689	2.0
112.04024	1.9
112.08692	1.2
113.10783	2.4
115.05076	1.8
115.08723	1.9
116.01653	1.7
116.05330	4.6
116.07101	23.4
117.07451	4.9
118.08690	2.7
119.08582	1.9
120.08107	6.3
121.06518	8.5
122.02763	1.6
124.07603	4.8
126.05532	3.1
127.03938	3.2
127.08668	12.0
129.10239	11.7
130.05028	18.0
130.06503	1.3
131.05394	2.3
132.10242	8.1
137.02312	1.7
137.05965	1.6
138.09151	2.4
141.10246	23.0
142.03261	2.1
143.11774	4.0
144.01146	2.2
145.04980	4.7
148.02493	1.9
152.07111	7.0
155.11871	6.2
157.09711	1.8
159.09178	2.7
162.02209	1.6
162.07646	1.3
166.08672	4.4
169.09752	10.7
170.06001	1.7
170.08153	2.8
173.09259	2.0
174.00359	1.2
175.07640	1.4
175.11929	1.2
177.03305	3.3
179.04875	2.9
183.11307	7.9
185.16478	1.3
186.12402	36.4
187.10817	2.0
189.12369	4.5
193.72469	1.3
197.09233	3.9
198.07652	2.9
199.18192	1.4
200.13968	26.7
200.15831	1.7
201.12396	4.9
201.14102	1.4
202.12711	4.7
211.02058	1.6
211.10829	2.0
212.09181	2.6
213.01566	1.2
214.11902	20.7
215.10265	2.0
219.08008	3.1
225.05649	1.2
228.13440	13.8
229.11876	4.9
232.13037	4.5
233.06010	1.4
246.14578	6.7
251.05283	2.3
253.04831	3.0
264.08301	1.2
282.18219	5.5
299.05670	1.5
311.16010	3.3
316.05844	2.6
327.20029	1.5
328.18948	2.3
332.37952	1.3
345.06131	17.1
345.22244	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	345.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92760	0.4
55.01853	0.7
55.05512	0.6
56.05036	2.0
56.96553	0.5
57.03446	0.5
58.06582	1.1
58.99588	0.5
60.04527	0.6
62.60884	0.4
65.03941	0.5
69.03420	1.1
69.07063	0.6
70.06597	6.3
71.05006	0.5
71.54579	0.7
72.08159	7.2
73.01087	0.5
73.02907	0.5
74.00658	1.5
74.02439	0.5
74.43469	0.4
76.02224	1.1
76.04003	1.2
79.05504	0.7
81.03428	0.7
81.04536	0.5
83.06107	3.0
84.04505	14.2
84.08144	4.8
84.96035	0.6
85.02912	2.0
85.04026	0.6
85.04831	1.8
86.03559	2.0
86.04020	0.5
86.09711	8.9
90.05531	0.4
91.05488	3.0
95.04951	0.7
95.06087	1.6
97.02878	1.8
98.97562	1.0
99.02678	0.7
99.05603	0.4
101.10735	0.4
101.95374	0.6
102.05553	0.8
104.04971	0.7
104.98294	0.5
105.03416	0.8
105.05775	0.4
106.06540	1.3
110.05997	0.6
110.07175	1.0
111.05576	5.3
112.03957	0.8
112.08739	1.0
116.01672	0.6
116.05309	0.9
116.07098	1.3
117.05739	0.9
118.06541	0.7
119.04939	2.1
120.04473	3.5
120.08051	0.6
122.07172	0.6
123.05524	1.3
125.05850	1.0
126.05389	0.4
126.06623	2.5
127.03955	0.9
127.04988	0.6
127.07433	0.5
129.10248	2.5
130.05008	7.8
130.06532	0.9
131.05318	1.1
132.04462	26.6
132.05510	1.1
132.08078	0.6
134.06033	5.7
136.07593	8.6
137.04695	2.6
137.05963	1.2
137.07846	0.7
138.05455	0.4
140.08199	0.7
142.03239	1.3
143.11769	0.8
147.04413	1.1
148.03969	0.8
150.05519	4.3
151.06157	12.0
155.08113	0.5
157.13385	0.6
161.09238	0.8
162.02187	0.9
165.07793	0.7
166.07269	1.1
170.08118	0.5
171.14885	0.4
174.00453	0.5
175.11967	0.5
176.07106	0.7
177.03047	0.5
179.05002	0.5
182.08133	0.6
183.11249	0.4
185.12874	1.1
185.16495	1.8
187.08733	1.1
191.03935	1.0
194.06746	4.5
195.07516	1.0
202.09624	2.0
203.08179	1.3
206.06985	0.5
208.08176	0.6
211.02095	1.0
213.15843	0.8
214.09702	0.4
216.11345	0.7
219.01784	0.7
219.07994	1.0
230.09262	1.5
231.07710	2.3
232.10840	2.2
237.02798	0.6
242.09238	5.1
245.05237	0.8
254.05388	0.8
257.10358	6.1
258.08862	0.7
259.09308	0.9
259.11914	10.3
259.92444	0.4
263.06003	1.7
274.13165	0.4
277.12799	0.7
284.11447	4.5
285.09808	0.5
301.14099	0.6
302.12476	18.8
303.12851	0.5
327.11993	2.5
328.11826	0.5
345.13068	100.0
346.13449	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.3
54.20267	1.3
55.05503	5.0
56.19444	1.2
57.03419	4.1
57.07071	1.7
58.99592	8.2
61.01154	15.7
64.60445	1.2
67.05496	3.3
69.03448	1.9
69.07053	5.0
70.06579	4.6
70.68884	3.5
72.04472	1.6
72.08151	1.9
72.29619	1.5
73.01145	100.0
75.02704	11.0
79.05486	4.3
79.65868	1.5
81.07043	4.6
83.08603	2.9
84.04496	2.8
84.08138	4.2
85.06536	3.3
86.09689	3.5
86.99042	2.6
87.02691	1.7
88.02087	1.6
89.00597	2.8
91.05487	2.3
92.98316	3.2
93.07041	3.0
97.06533	3.4
97.81497	1.5
99.02662	4.3
100.11248	5.9
101.04230	5.9
103.80813	1.6
104.98331	31.9
107.08582	1.5
111.02679	4.2
112.03429	4.7
113.04241	14.6
114.04988	2.5
115.05773	2.6
116.98341	3.0
117.03344	1.5
118.99849	4.9
120.97777	2.7
121.06525	2.4
123.07977	1.9
129.03722	7.2
129.10274	2.2
131.05225	3.9
142.99805	2.1
145.01424	8.6
145.02805	3.4
146.03203	3.5
149.05977	2.5
159.07944	1.5
163.02472	20.7
165.04056	14.6
170.72789	1.7
177.05464	6.6
178.05859	6.9
179.06018	2.6
182.15350	2.2
183.77820	1.4
255.02869	2.2
287.05548	1.8
315.04965	5.7
330.07236	2.2
345.06067	2.4
345.09665	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	345.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79280	1.0
55.05507	1.7
57.03453	7.7
58.99586	7.2
61.01159	18.7
67.05530	1.3
69.07068	2.7
70.06616	2.8
70.31708	5.3
70.99606	1.6
73.01150	100.0
74.01917	1.4
74.48871	1.1
75.02709	17.7
78.96799	1.3
79.05510	2.5
81.07038	2.7
81.21402	1.1
83.08607	1.4
83.41553	1.0
84.04504	1.3
85.06545	2.9
86.09676	2.2
86.99065	3.4
87.02720	1.6
89.00625	3.9
89.04256	3.6
91.02187	1.4
92.98347	8.5
97.06541	3.7
99.02674	3.6
101.04270	8.4
104.97606	2.2
104.98327	37.9
106.97872	1.2
111.02686	2.7
112.03497	1.8
113.04263	7.6
115.05756	1.5
116.05280	2.3
116.07087	1.5
116.98310	2.2
117.03394	3.6
118.99875	4.6
119.04957	1.1
120.97816	2.2
121.01467	1.8
129.03719	10.8
130.94557	2.8
131.05222	1.6
145.01500	6.6
145.02818	4.8
146.03175	4.3
163.02487	26.3
165.04082	11.1
167.00151	2.7
177.05486	12.7
178.05827	9.6
179.02153	1.3
345.05890	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05860	0.6
53.03949	1.2
55.05510	1.0
57.03434	0.9
58.99588	8.7
61.01143	2.1
65.00634	2.1
65.03932	0.9
65.53928	0.6
67.05502	4.8
69.07076	8.6
70.06594	4.6
70.99580	11.6
71.04993	0.7
71.55175	0.6
72.00352	2.5
72.08147	2.4
73.01145	8.5
75.02704	8.1
79.05498	24.2
80.06313	0.7
81.03419	0.7
81.07058	3.7
83.08607	0.6
84.04495	0.9
84.08143	2.7
85.01137	7.3
85.02895	0.8
85.06523	2.1
86.09699	2.5
87.02692	5.1
89.00623	1.3
90.96734	0.8
91.05483	1.7
93.07035	3.0
94.96255	0.8
95.04983	3.7
95.08646	1.2
97.01115	2.7
97.02883	0.7
97.06520	3.8
98.01892	2.1
99.02682	9.3
101.04250	6.2
101.95397	3.0
102.96763	0.7
104.98311	1.7
105.03714	0.9
105.04446	0.9
105.07037	1.7
107.08603	1.2
108.09344	1.0
109.10184	0.9
111.02673	11.7
111.04431	0.7
112.03454	5.8
113.04234	100.0
114.04999	2.0
115.02094	0.8
115.05830	4.4
118.99868	10.8
119.08606	1.2
120.00636	1.4
120.08097	0.8
121.01408	1.2
121.10147	0.9
125.04218	3.1
128.02989	0.9
129.03720	6.4
129.10255	1.3
130.05028	0.9
130.99847	1.0
131.05180	0.9
134.01865	1.1
135.02620	1.5
136.07655	0.6
137.00914	4.7
137.02374	0.7
137.04225	0.6
137.05983	1.8
137.09663	0.7
139.05769	90.0
140.06119	1.3
142.99805	1.4
145.01405	8.4
149.04176	5.5
150.05000	5.8
151.05774	1.7
152.06589	2.5
153.07298	1.3
163.02483	0.9
165.07123	0.6
167.00212	0.7
168.00598	1.7
177.04063	14.3
177.05450	0.9
178.05788	1.0
183.02986	48.1
184.03610	2.4
201.04044	1.0
203.05637	4.8
207.94537	1.2
231.03271	3.2
247.02800	2.8
265.03854	7.4
266.04691	3.8
290.78244	0.6
327.12228	0.7
345.06543	5.9
345.14102	1.4
345.21552	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	345.014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05516	1.4
55.76201	1.1
56.76188	1.2
58.99587	7.3
59.96744	1.3
60.68986	1.3
61.01156	56.8
65.03947	1.2
67.05495	4.7
69.07077	13.2
69.45010	10.2
70.06562	1.5
73.01140	5.1
78.96786	3.1
79.05492	11.7
79.14069	1.2
81.07061	1.8
83.08617	3.7
84.08141	1.9
85.01131	3.5
91.05510	1.9
92.98335	39.4
93.07032	1.6
95.04979	3.3
96.05765	2.1
97.01069	1.3
97.06531	18.6
99.02679	8.0
101.04249	14.5
104.98340	2.5
105.07069	1.5
109.06553	7.3
110.93971	1.9
111.02705	3.6
111.08115	2.9
112.03452	5.2
113.04236	100.0
114.05048	2.6
114.57736	1.3
115.02153	1.4
115.05791	1.8
116.98247	1.8
117.99086	3.0
118.99863	1.6
119.08649	1.5
124.95509	2.6
125.04232	2.1
127.02135	2.9
129.03714	17.7
130.04480	4.6
131.05266	2.6
141.03641	1.5
142.99854	5.2
145.01389	3.9
145.02769	1.1
147.02980	1.7
156.92700	11.5
163.02477	2.9
175.02504	2.0
177.04057	3.9
177.05484	1.9
178.05864	1.4
209.01299	2.0
219.17456	2.1
254.99936	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
58.99592	13.8
60.52541	1.1
61.01140	4.1
65.00633	4.9
65.30043	1.2
67.05495	5.8
68.32039	1.2
69.06728	1.7
69.07072	28.7
70.06586	2.9
70.99581	13.7
71.55648	1.4
72.00359	3.5
73.01146	22.3
75.02695	5.7
78.96772	3.2
79.05494	8.0
81.07036	1.3
84.08157	2.4
85.01121	3.9
87.02691	4.7
91.05469	4.8
92.98316	2.1
93.07021	2.4
95.04958	4.7
96.05743	5.4
97.01111	3.7
97.06549	8.2
99.02678	13.9
101.04245	17.4
104.98289	2.1
105.07040	2.9
107.08604	1.6
110.93913	2.0
111.02676	29.6
112.03461	21.3
113.04241	74.6
114.05018	2.8
115.02184	2.8
116.98271	1.5
117.06993	1.4
118.99858	4.9
119.08604	2.9
120.00626	2.0
125.04233	2.1
127.02122	1.7
129.03705	22.0
130.04478	12.4
131.05247	3.0
131.08510	1.3
133.01430	3.5
135.02635	2.8
137.00900	11.6
137.04214	1.6
137.05907	2.2
139.05772	100.0
142.99854	11.7
144.00620	2.2
145.01413	8.9
145.02464	1.6
149.04227	6.5
150.04953	7.4
151.05766	5.1
151.07527	9.8
152.06549	4.6
154.99837	5.2
161.00928	8.2
168.00659	2.2
169.01459	2.4
178.05847	1.8
183.02997	61.9
184.03708	4.6
209.01213	3.8
221.61989	1.2
247.02856	2.6
249.93420	1.1
250.78697	1.2
255.20213	1.3
345.01456	2.9
345.20767	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99591	12.2
61.01138	2.9
65.00648	4.6
65.03944	1.6
67.05503	4.9
69.07073	33.7
70.06578	2.6
70.99599	4.6
71.56139	1.7
72.00354	2.5
73.00736	1.1
73.01147	18.7
74.89916	0.8
75.02709	5.3
78.96793	2.0
79.05498	7.7
79.58097	0.8
81.07072	1.7
83.08645	0.9
84.08150	2.9
85.01116	2.9
86.09718	2.1
87.02701	3.7
91.05493	2.2
91.40419	0.9
93.28896	0.9
95.04964	2.2
96.05750	4.0
97.01123	2.8
97.06541	10.5
99.02695	17.9
101.04255	16.1
104.98267	1.1
105.07054	2.3
106.99876	1.4
107.08626	1.6
110.93954	3.0
111.02679	26.2
111.03441	1.6
111.27450	1.0
112.03455	22.1
113.04240	100.0
114.05042	6.4
115.02162	3.4
117.99102	1.3
118.05030	3.5
118.99889	3.2
119.08604	1.5
125.04205	2.4
127.02148	2.2
128.02940	1.2
129.03703	23.1
129.04582	1.9
129.10313	1.0
130.04462	11.5
131.05304	5.6
133.01418	4.3
137.00911	13.1
137.05916	1.1
139.05769	26.1
142.99854	9.5
144.00659	2.4
145.01421	18.5
146.03241	2.0
150.05009	1.7
151.05782	4.0
152.06555	3.9
154.99837	1.8
161.00952	7.0
169.01427	1.2
171.02959	1.0
175.38782	0.9
176.98721	1.7
177.05507	3.6
178.05814	4.7
183.02995	18.6
184.03714	1.9
186.11237	10.9
191.00221	1.8
202.04913	1.3
209.01277	4.1
345.01495	8.4
345.20520	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2798
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
55.01880	3.6
55.05520	14.5
56.05040	5.0
57.07083	16.3
58.06615	2.9
60.04532	73.3
67.05517	17.3
68.05016	5.7
69.07066	17.5
70.01929	5.2
70.02322	6.3
70.02966	12.7
70.06580	7.6
71.05013	2.5
71.08631	5.8
72.04528	10.0
74.06065	2.6
79.05495	9.1
81.02989	2.5
81.03416	14.5
81.07060	15.4
82.06577	3.0
83.04991	3.8
83.08621	10.5
84.04498	2.9
85.10220	2.0
88.03988	2.3
88.07641	18.2
91.05476	5.8
92.12898	2.0
93.07047	7.8
94.06586	10.6
95.04980	10.1
95.08626	13.8
96.08157	2.1
97.10165	4.6
98.06065	6.5
100.03954	5.5
105.07037	4.4
106.08681	3.6
107.08598	3.3
109.10145	5.2
115.38311	2.2
119.08581	6.2
121.10149	3.6
133.10168	3.8
133.49051	1.9
145.02826	2.4
149.23239	2.0
156.09148	2.1
177.05399	5.6
212.23779	3.2
250.25264	10.6
262.25293	7.0
263.23645	9.2
280.26431	9.9
282.28113	2.2
283.26230	4.0
298.27396	18.1
308.25839	5.5
316.28485	99.0
317.28680	2.6
326.26923	100.0
344.28015	64.9
344.31506	5.2
344.34680	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	344.2543
Annotation	Val Ile Leu
Peak:m/z	Relative Intensity
53.11203	0.5
55.05296	0.4
55.05516	4.5
56.05031	0.7
57.05824	0.7
60.04520	1.0
61.01133	0.5
69.07069	5.4
69.59668	3.0
70.06599	4.2
71.05002	0.6
71.06931	0.6
72.08157	50.4
72.17263	0.4
73.01131	1.0
80.05041	0.4
81.07033	0.8
84.04492	1.1
84.08140	1.9
86.09708	100.0
87.10044	1.0
91.05489	0.8
98.21520	0.4
104.98324	0.5
107.08646	0.6
110.07188	0.6
110.93933	1.1
117.10621	0.4
120.08105	0.9
122.02742	2.0
129.10260	1.2
130.08699	0.6
132.10216	1.6
137.09549	0.5
145.02846	0.5
149.05983	0.6
151.07579	1.2
165.07956	0.4
165.09113	2.4
177.05550	0.5
179.10605	0.5
180.14897	0.6
185.16498	50.9
186.16849	0.7
187.11266	0.6
199.18074	3.3
205.12225	0.8
213.15987	19.3
227.17642	1.1
231.16965	0.4
245.18661	4.3
264.01270	0.5
282.19553	0.5
326.23279	2.0
344.14874	0.8
344.24191	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	344.2796
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
51.86885	1.0
55.01881	5.1
55.05526	7.7
56.05045	9.5
57.03427	1.9
57.07081	12.0
58.06593	1.1
60.04529	16.3
67.05497	10.5
68.05018	1.9
69.03438	1.5
69.07080	10.1
70.02956	11.0
70.06588	3.7
71.05003	1.8
71.08649	7.6
71.55766	1.5
72.04518	2.9
73.01158	1.3
74.06083	20.0
76.71157	1.2
79.05498	4.6
80.05046	1.2
81.03436	1.7
81.07059	12.5
81.90664	1.1
82.06577	1.1
83.04980	1.6
83.08619	3.8
84.04439	1.2
85.02927	5.1
85.10169	3.3
86.06072	1.2
88.03992	2.4
88.07639	47.5
89.21984	1.0
91.05500	3.8
93.07040	4.5
94.06568	2.2
95.04968	2.7
95.08616	11.2
96.36087	1.1
97.06506	1.5
97.10172	3.5
98.06044	1.7
100.04004	7.5
102.05573	3.2
105.07021	2.6
106.05054	7.1
106.08649	1.1
107.08604	2.9
109.06519	1.4
109.10169	3.9
113.04259	2.0
115.33374	1.1
119.08603	2.0
120.06583	3.5
121.10162	1.2
133.10152	1.5
134.58972	1.0
135.86501	1.0
140.07141	1.3
177.05452	1.9
189.99001	1.2
242.24783	9.9
250.25276	2.4
262.25415	2.1
263.23474	1.6
270.24173	1.6
280.26343	5.6
281.24484	2.4
298.27448	7.0
298.31055	11.8
308.25906	2.5
316.28525	3.3
326.26926	100.0
327.27255	1.7
344.27859	21.2
344.31616	67.5
344.35172	5.4
345.31857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99574	0.2
61.01157	0.2
63.02381	0.3
65.03931	0.3
69.07088	0.2
70.88796	0.3
70.89115	0.2
73.01142	0.6
78.04698	0.4
79.05499	0.2
82.42529	0.1
89.03922	7.3
91.05490	7.4
95.04974	1.2
97.06612	0.2
103.05481	0.4
104.98314	0.5
106.04176	0.6
113.04284	0.4
117.03387	24.1
118.03708	0.2
119.04946	4.8
121.06503	0.2
129.03671	0.2
134.03638	1.5
135.04443	1.5
136.05200	0.9
137.06042	0.3
145.02853	54.5
146.03215	0.9
149.05995	7.6
151.07552	6.7
152.07826	0.2
158.05945	0.2
163.03908	0.7
177.05479	100.0
178.05824	1.2
186.05486	1.2
194.08211	0.3
207.52368	0.2
234.75760	0.2
344.14975	1.6
344.24298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1493
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
55.05513	1.2
60.04523	0.4
61.20704	0.3
62.79717	0.2
63.02389	0.5
65.03912	0.4
69.07084	0.6
69.49790	1.3
69.50197	0.6
70.06596	1.0
72.08160	7.8
78.04691	0.5
81.91251	0.3
83.08632	0.6
84.04497	0.4
84.08153	0.7
86.09709	12.4
89.03917	7.5
91.05480	8.2
91.38140	0.3
93.07056	0.3
95.04988	1.1
98.21484	0.4
100.11264	6.4
101.11012	0.5
101.11592	2.7
103.05457	0.3
106.04182	0.3
113.67918	0.3
117.03384	26.3
119.04951	4.9
129.10283	0.4
132.27763	0.3
134.03624	2.1
135.04431	1.1
136.05208	1.0
137.05960	0.5
145.02850	58.7
146.03116	0.7
149.05978	8.4
151.07544	7.1
162.03183	0.4
163.03836	0.7
177.05473	100.0
178.05812	1.7
185.16518	6.7
186.05508	0.9
209.16478	0.7
210.16875	0.4
213.16010	2.2
230.80426	0.3
231.17062	0.3
240.32031	0.3
297.51941	0.3
323.25592	0.3
326.10782	0.5
326.23050	0.5
343.30603	0.6
344.15039	1.7
344.24295	0.8
344.31024	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	344.1494
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
52.26204	0.1
62.95755	0.1
63.02371	0.3
65.03931	0.4
73.01150	0.6
78.04728	0.3
79.05495	0.2
81.07066	0.2
85.55972	0.1
89.03921	6.1
91.05488	8.4
95.04968	1.1
98.21483	0.5
103.05502	0.4
104.98321	0.3
106.04164	0.5
112.04108	0.2
112.36177	0.2
113.04256	0.2
113.93506	0.1
117.03388	23.5
118.03711	0.3
119.04954	4.6
119.05782	0.3
119.49709	0.2
123.08060	0.2
123.65535	0.2
129.04503	0.2
134.03648	1.1
135.04428	1.3
136.05222	0.8
137.06006	0.3
145.02855	53.3
146.03148	0.7
149.05989	7.2
151.07549	7.0
162.03160	0.2
163.03922	0.5
163.24646	0.2
177.05478	100.0
178.05824	1.7
186.05562	1.0
344.14999	1.9
351.33472	0.1
358.22717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.2
58.99590	28.9
59.90462	4.1
60.04530	5.5
61.01147	13.6
66.58660	4.3
67.05492	9.1
69.07076	72.8
70.06580	15.0
71.54811	5.5
72.00356	5.2
72.08144	9.8
73.01151	57.2
78.76863	4.2
79.05476	14.3
81.07078	6.4
81.28899	4.1
84.04491	16.4
84.08140	17.5
86.09700	16.1
87.02670	5.1
89.00607	4.5
89.03899	6.4
91.05469	8.5
95.04953	9.6
96.05767	7.5
97.06539	34.1
99.02685	13.1
101.04248	44.0
102.05547	7.5
104.98331	24.4
107.08619	6.4
107.11800	5.2
109.10161	4.9
111.02663	32.3
112.03442	20.9
113.04244	48.0
117.03399	24.1
120.00636	6.1
120.08125	7.0
129.03709	79.0
129.10246	6.9
130.04446	25.6
131.05234	15.2
133.01450	8.0
136.95482	5.6
142.99855	15.6
145.02834	44.8
149.05986	10.4
151.07573	9.4
161.00900	20.2
161.02151	5.1
163.02446	10.5
165.04076	11.0
170.70338	5.0
177.04062	4.9
177.05464	100.0
209.01247	11.5
215.97188	5.1
279.06033	4.7
299.02658	18.5
319.66687	4.5
326.23264	9.5
344.24304	4.7
345.88852	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	344.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99575	23.1
61.01163	11.8
67.05492	14.3
69.07072	83.1
70.06594	9.7
72.00342	5.5
72.08150	6.1
72.49332	4.6
73.01137	20.1
79.05482	7.7
81.67795	4.9
84.04515	13.3
84.08143	9.8
85.02918	5.9
86.09692	9.1
87.02712	8.1
91.05467	9.6
92.98304	10.9
96.05769	7.2
97.06551	37.4
99.02688	18.0
101.04250	44.6
104.98303	13.6
110.71033	4.3
110.93938	5.0
111.02667	42.2
112.03455	31.8
113.04242	100.0
115.02163	5.6
115.05786	6.1
116.98300	20.6
117.03388	23.4
120.08106	6.1
129.03697	77.4
129.10240	5.6
130.04494	24.9
131.05255	15.0
133.01425	7.3
136.95564	4.7
139.05675	6.0
142.99866	21.6
145.01588	10.7
145.02863	46.1
149.06056	7.4
149.68100	4.6
161.00932	27.7
163.83080	5.3
165.59200	4.8
170.68358	4.9
177.04100	7.4
177.05470	88.3
209.01270	35.5
215.70642	4.6
299.02734	8.6
300.19705	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03942	6.0
55.01862	10.1
55.05510	20.4
57.03424	11.8
57.07067	9.5
59.04988	7.5
67.05508	34.0
69.03416	11.8
69.07062	11.4
69.25578	5.1
69.25980	22.2
71.04993	16.5
73.01138	6.8
75.20934	2.7
79.05497	31.6
81.03391	5.1
81.07064	35.1
83.04982	8.9
83.08580	3.3
85.06548	4.5
91.05484	43.5
93.07047	76.4
95.04977	69.4
95.08612	93.2
97.06539	23.3
99.02668	3.6
99.45855	3.4
101.04275	3.3
104.98322	4.7
105.07035	96.7
107.04908	6.4
107.08600	57.1
109.06535	19.1
109.10151	6.7
110.20042	2.5
111.08065	3.9
112.03429	5.0
113.04242	31.8
115.05454	7.7
117.07027	35.6
119.08582	32.0
121.06538	18.5
121.10136	20.8
122.07216	3.2
123.08093	25.9
124.92949	2.4
125.06027	4.9
125.09608	3.5
128.06198	4.7
129.07007	4.7
130.07793	21.0
131.08586	15.8
133.06479	10.6
133.10143	20.7
135.08060	29.8
135.11696	16.7
137.05960	3.2
137.09648	8.5
142.07758	3.3
143.08577	16.5
145.01329	3.2
145.10132	99.8
147.08025	14.5
147.11743	5.1
149.09668	6.5
151.07552	58.9
153.09163	4.0
155.08505	3.2
156.09343	3.0
157.10135	11.5
159.08058	3.9
159.11731	15.1
161.09657	8.3
161.13292	5.0
163.11194	64.1
163.20842	3.1
165.09108	19.1
167.08604	3.1
169.10170	7.2
171.11713	7.5
173.13287	6.2
175.11235	3.4
177.05568	4.4
177.09117	8.3
179.07027	6.1
181.12285	2.8
183.11705	5.7
187.11189	4.5
187.14845	4.2
189.12758	15.8
191.10620	3.7
191.14235	4.2
197.13278	5.8
199.11215	3.5
199.14874	3.5
201.12823	2.9
203.14337	13.7
207.13812	8.8
209.15489	3.1
215.14328	5.0
217.12044	3.2
221.15358	35.3
223.14818	2.9
225.12863	3.4
227.14377	3.2
233.15321	6.5
240.23296	5.9
251.14558	4.5
263.16705	3.4
269.15363	4.6
271.97595	2.8
286.19507	4.1
287.16302	3.3
289.56143	3.5
325.21735	11.3
343.22720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.24804	3.3
53.03947	5.9
55.01876	5.2
55.05517	19.9
57.03430	9.2
57.07072	7.8
58.99583	4.9
59.05005	5.0
65.03930	3.6
67.05510	32.3
69.03429	11.1
69.07067	10.9
71.05004	22.7
73.01145	9.2
79.05494	30.5
81.03429	6.0
81.07064	32.0
83.04964	5.0
83.08640	4.9
85.06549	3.7
91.05479	41.1
93.07052	72.6
95.04982	69.4
95.08612	91.7
97.06538	16.6
103.05447	4.8
104.98314	7.4
105.04501	3.2
105.07040	96.9
107.04956	6.2
107.07876	4.1
107.08597	60.6
108.05810	2.8
109.06532	22.3
109.10150	4.4
111.02668	4.8
113.04251	27.5
115.03725	3.4
115.05442	8.4
117.07034	33.6
117.24018	3.9
119.08591	32.5
121.06527	19.6
121.10175	22.1
123.08077	36.1
128.06209	4.7
129.03705	3.6
129.06982	5.8
130.07782	21.6
131.08588	10.6
133.06497	7.0
133.10156	21.8
135.08064	31.6
135.11707	21.4
137.09627	6.9
142.07799	4.0
143.08586	16.0
145.06516	4.1
145.10129	100.0
147.08002	15.4
147.11708	4.8
149.09625	10.5
151.07553	61.7
151.08676	2.2
153.09174	5.4
156.09344	4.6
157.10135	13.3
159.08063	6.1
159.11716	12.1
161.09621	12.2
161.13205	6.1
163.11209	74.7
165.09134	21.6
169.10191	5.1
171.11681	9.7
173.09683	4.1
173.13301	5.9
175.11240	6.8
177.05539	3.5
177.09143	9.8
178.96625	3.7
178.98088	3.3
179.06960	6.2
179.10710	4.5
181.12224	5.6
182.10841	4.7
183.11694	5.5
185.13326	6.2
187.11240	8.2
189.12764	14.9
191.14368	3.1
197.13254	4.4
203.14343	12.3
207.13857	11.3
209.13101	3.9
209.15416	4.4
217.12169	4.1
221.15390	36.9
223.14832	4.5
225.16435	4.1
233.15402	4.3
240.23366	4.8
241.15991	3.5
260.59341	3.2
263.16513	9.7
269.15411	6.3
274.19473	4.3
286.19418	3.9
287.20081	3.7
307.20609	4.5
325.21606	13.5
343.22705	94.7
344.23181	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03946	7.6
53.17896	4.0
53.23352	4.1
53.62630	4.2
53.94424	4.1
55.01872	7.9
55.05519	25.1
57.03436	7.8
57.07074	11.9
59.05002	9.2
60.04537	5.8
61.01147	5.3
67.05516	42.6
69.03414	5.3
69.07079	17.8
69.47324	16.4
69.47749	15.7
69.81721	4.0
71.04997	22.6
73.01147	8.1
79.05505	36.2
81.03426	6.9
81.07071	40.9
83.04984	12.6
88.07682	5.7
91.05479	37.3
93.07046	77.7
95.04977	62.5
95.08612	90.2
97.06540	24.8
100.74665	4.7
104.98298	4.8
105.07037	94.6
107.08591	54.9
109.06541	24.2
109.10165	8.9
111.04451	4.3
112.03480	6.5
113.04236	30.5
114.46354	4.1
115.05450	7.7
116.06221	5.6
117.07014	35.3
119.08586	38.6
121.06520	13.6
121.10154	18.7
123.08064	30.7
129.03732	4.9
130.07819	25.0
131.08583	17.0
133.06522	6.2
133.10172	21.3
135.08081	28.7
135.11710	19.6
143.08522	8.1
145.10141	100.0
147.08075	18.7
149.09761	5.1
151.07544	39.2
153.09164	8.8
157.10170	15.6
159.08098	9.4
159.11635	10.4
161.09599	7.0
161.13350	5.6
163.11192	81.9
165.09094	25.3
169.10123	7.8
171.11778	8.1
177.09126	6.3
183.11809	5.7
187.11183	9.0
188.29472	4.6
189.12772	10.6
197.13397	5.1
203.14377	10.3
207.13832	7.2
221.15355	33.9
240.23398	8.0
263.16284	8.9
269.15356	6.3
325.21637	14.3
343.18793	9.6
343.22729	98.8
343.26187	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	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17867	1.1
53.03921	1.3
55.01852	2.8
55.05505	3.1
56.05034	1.6
57.03426	4.8
61.02918	4.5
67.05491	3.2
68.22237	1.2
69.03436	9.0
69.07059	3.1
70.02942	1.2
70.06248	2.1
70.06598	24.9
70.91074	1.1
71.05003	1.6
72.08162	12.7
73.02943	1.3
76.02225	2.0
78.01830	1.3
79.05510	2.2
81.03432	5.9
81.07063	3.6
83.06096	3.5
84.04510	8.5
84.08158	10.2
85.02908	30.9
85.04021	1.4
85.06545	2.8
86.09710	19.2
87.04474	1.5
87.05571	2.1
91.03941	2.3
91.05479	3.4
93.07055	6.6
95.04976	100.0
95.08607	2.7
97.02910	10.9
98.20677	1.7
98.44464	1.1
99.04454	1.7
105.07013	5.2
107.08630	5.7
109.02885	3.8
109.06519	4.7
109.10149	2.5
110.07191	1.8
111.34492	1.1
116.07083	8.6
119.08562	3.4
121.06490	1.4
121.10136	6.5
127.03958	6.5
129.10265	3.5
130.05029	3.9
135.11736	8.2
137.05959	3.1
137.09622	2.0
137.13213	2.9
141.10219	2.4
145.04971	5.6
145.10141	7.4
147.04538	1.4
147.05876	2.8
147.11644	3.5
153.12781	2.9
155.11781	3.1
160.30199	1.2
163.11198	40.4
165.12737	3.7
181.12242	45.2
181.74254	1.2
183.11310	2.4
197.07159	1.3
200.13998	12.8
213.05400	1.5
223.13370	1.7
228.13461	2.9
234.99113	1.4
256.19022	1.2
265.08594	1.7
265.65247	1.2
296.07840	1.1
311.24728	1.2
315.14566	1.9
325.10834	2.6
343.13855	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	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01857	1.5
55.05504	1.7
57.03431	3.4
57.07066	1.1
61.02931	4.6
62.99086	5.6
63.99873	4.1
65.03930	1.0
66.77309	1.0
67.05458	0.9
69.03432	14.1
69.07083	1.5
70.06595	1.5
70.08456	1.8
70.08872	2.8
71.04989	2.4
72.08155	0.9
73.02923	1.6
78.54043	0.9
79.05496	3.3
81.03435	4.9
81.07063	7.7
83.04988	5.6
84.04529	1.0
85.02910	35.9
85.06523	1.1
86.09693	1.5
87.04463	1.8
91.03946	1.2
91.05489	5.5
93.07063	9.9
95.01338	3.4
95.04971	19.6
95.08610	1.0
97.02897	11.7
97.06537	3.3
98.21501	1.0
99.04460	1.7
102.43469	0.9
105.07044	7.0
107.04932	1.1
107.08607	8.9
109.02871	2.7
109.06523	1.9
109.89136	1.0
117.07021	3.2
119.08558	4.9
121.06528	4.6
121.10157	12.7
122.10759	0.8
123.07994	1.5
125.06016	13.3
127.03941	7.5
128.94986	12.6
130.07809	3.0
133.10132	1.1
135.08131	1.2
135.11702	5.8
137.05978	1.5
141.16446	0.9
142.21225	0.9
145.04990	7.9
145.10118	17.6
147.08023	1.0
153.05489	2.4
163.11192	100.0
164.11508	1.8
167.07057	1.3
175.11259	2.1
181.10748	1.6
181.12239	18.8
183.10065	1.5
215.05475	1.7
223.13246	1.3
273.53113	0.9
307.15454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01868	2.6
55.05503	1.8
57.03434	5.8
58.06586	2.2
61.02925	7.5
62.95575	1.4
62.99068	1.5
67.05489	3.1
67.28762	1.3
69.03433	18.6
69.07061	1.7
69.64032	4.0
69.64463	5.8
70.06618	7.7
71.04993	3.4
72.08142	4.3
72.54781	1.5
73.02927	4.2
79.05484	4.3
81.03428	9.5
81.07067	10.1
83.04987	9.4
84.04493	2.7
84.08147	6.3
85.02911	60.2
86.09713	13.8
87.04465	4.1
87.10061	3.1
91.03955	4.3
91.05479	5.6
93.07059	12.2
94.54478	1.5
95.04986	26.8
95.08616	3.3
97.02903	15.7
97.06521	7.0
98.21453	2.9
99.04474	4.4
105.07042	11.4
107.04936	2.5
107.08617	10.4
109.02874	4.6
109.06519	5.0
112.08728	1.3
115.05453	1.8
116.07133	4.6
117.03353	2.0
117.07056	3.0
118.32731	1.6
119.04991	1.6
119.08588	4.0
121.06527	4.5
121.10166	14.3
123.08083	7.1
123.11682	1.5
125.06009	24.0
125.06881	2.7
127.03924	13.0
129.10272	2.3
130.04961	1.8
130.07816	3.3
135.11726	4.9
137.06021	3.3
145.02850	3.9
145.04947	12.8
145.10161	18.1
147.11598	1.9
149.06021	1.7
163.11197	100.0
164.11574	2.1
165.12769	5.3
175.11064	1.9
177.05513	3.9
178.05876	3.2
181.12248	43.9
194.07224	1.8
203.79623	1.3
205.06488	3.6
205.12387	1.7
206.06853	4.9
219.08080	1.9
222.06560	3.3
223.07077	2.2
223.13243	2.2
233.05963	3.7
234.06444	8.1
235.07140	2.2
237.09004	2.3
247.07162	2.4
248.07870	2.6
250.06075	4.6
251.06706	4.8
254.74834	1.7
262.05896	6.2
264.07394	3.2
265.08459	5.8
266.08981	4.7
268.06863	2.2
278.05515	1.8
279.06207	2.7
284.09958	5.4
293.07953	4.5
294.08420	6.0
297.11035	1.5
307.09653	4.1
308.10016	7.3
325.10760	6.2
326.11060	26.3
343.13614	7.9
343.17496	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.0
55.40902	3.4
57.03436	7.3
58.99579	14.4
61.01146	23.9
62.33281	3.2
64.11053	3.1
65.58496	3.1
68.66230	3.2
69.07068	5.5
69.30920	5.8
69.31319	20.9
73.01144	100.0
75.02695	6.2
79.05490	10.6
81.07066	11.9
83.08623	5.2
85.01133	3.4
86.99029	5.4
87.02688	7.4
89.00610	8.0
97.06518	17.3
98.20752	4.4
99.02666	6.1
100.96713	3.9
101.04247	15.5
103.97536	3.3
104.98311	64.1
111.02707	5.3
112.03461	7.7
113.04230	51.9
114.05018	9.5
115.05787	4.5
116.24430	3.7
116.90036	3.7
116.98296	11.6
118.99874	16.4
119.21254	4.1
120.17706	2.8
120.97780	7.9
129.03708	20.3
131.05266	3.0
136.43791	4.0
145.01419	20.6
163.02446	18.1
179.00204	6.5
194.99809	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	343.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
54.05543	2.0
55.05503	4.1
57.07069	4.4
58.99588	21.8
61.01152	9.2
65.03942	3.5
67.05511	8.6
69.07070	31.4
70.06604	2.4
71.55731	3.9
73.01149	19.2
75.18367	2.2
79.05486	10.5
86.99065	2.6
87.02695	5.4
91.05470	2.4
95.04967	4.4
96.05762	5.5
97.01107	4.1
97.06539	16.0
99.02689	10.1
101.04252	21.8
104.98344	14.1
105.07041	3.5
107.01673	2.7
107.08604	2.8
111.02679	31.0
112.03459	27.5
113.04240	100.0
115.02174	20.1
121.06557	2.3
121.10157	2.6
126.60635	2.1
127.02159	2.6
128.55518	2.1
129.03711	30.7
130.04507	13.6
131.05235	3.7
133.01424	4.9
136.95526	3.7
142.99850	29.1
144.00539	2.8
145.01505	3.7
148.95499	5.0
159.11821	3.2
161.00909	21.0
175.69841	2.1
240.23259	6.2
342.30170	2.9
343.07486	5.0
343.11572	2.3
343.22797	3.5
343.29953	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	343.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.7
58.99564	6.6
61.01150	21.3
67.05492	3.8
69.07049	11.9
71.32844	7.1
73.01138	19.9
79.05466	6.3
81.07044	3.5
83.08611	6.5
84.08160	4.6
87.02696	5.8
88.05027	3.2
93.07030	3.7
95.04936	6.2
97.06532	3.5
101.04228	8.1
104.98316	100.0
105.07046	4.2
107.01637	12.3
112.03427	3.3
113.04230	11.6
121.10197	3.1
145.02849	3.3
147.02968	65.6
177.05475	8.3
218.32835	3.1
265.36234	3.3
343.22726	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
55.08580	3.2
56.79263	3.5
58.99577	5.7
61.01153	21.0
63.91713	2.6
64.40099	3.1
67.05497	4.0
68.28250	2.9
69.07043	5.7
70.06596	6.6
71.07689	6.0
71.08024	3.8
72.08149	3.1
73.01143	18.2
73.06564	5.3
79.05489	8.0
81.07059	7.8
83.08621	8.6
84.08133	7.2
85.01106	12.2
87.02706	3.6
90.96730	3.0
93.07061	3.9
95.04926	4.1
95.08541	4.3
99.02699	2.9
101.04214	5.9
104.98322	100.0
105.07020	4.0
107.01662	10.9
107.08588	3.4
111.02656	4.9
112.03441	4.2
113.04220	18.6
119.08584	3.9
119.14333	2.9
121.10130	3.8
137.06000	3.1
142.99811	7.6
145.01535	3.0
145.02812	7.9
147.02956	61.8
157.01442	7.8
177.05453	7.3
237.04381	5.6
313.07059	4.6
320.07721	3.2
343.11581	5.5
343.19205	3.3
366.98926	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	343.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61123	1.7
55.05503	7.0
57.03431	5.7
58.99586	17.4
61.01158	25.4
67.05507	5.8
69.03432	2.4
69.07082	9.6
70.06587	6.3
71.55965	3.2
72.08169	2.6
73.01148	100.0
75.02699	8.1
78.96798	2.0
79.05510	10.9
81.07063	10.2
83.04990	2.9
83.08620	7.3
84.04505	3.0
84.08146	3.9
85.01131	7.2
85.02892	2.9
86.99067	9.0
87.02702	6.5
89.00623	6.9
91.30484	1.8
93.07072	3.4
93.98386	1.8
95.04978	4.6
95.08585	3.0
97.01096	2.8
97.06548	11.4
98.95053	1.6
99.02698	10.4
100.09966	1.7
101.04259	17.4
104.98331	56.9
105.07050	2.0
107.08591	3.4
111.02666	10.3
111.11670	1.8
112.03448	8.0
113.04240	55.0
114.05038	6.2
115.05791	6.8
116.98312	11.3
117.03392	2.7
118.03762	3.0
118.99907	10.3
120.97825	9.8
121.10155	2.4
129.03735	21.2
129.10210	2.2
130.04492	3.0
130.99825	2.1
131.05241	4.2
137.06001	2.8
138.97049	2.6
142.99831	8.2
145.01463	12.4
145.02690	9.4
146.02139	2.0
146.03197	5.2
149.05920	1.9
150.28157	1.8
161.00916	4.9
163.02472	19.2
163.11188	5.3
177.05525	13.1
178.05821	5.8
179.00142	3.6
194.99686	3.1
199.30553	1.8
205.06485	2.3
206.11313	4.2
217.01729	2.7
285.04019	3.0
286.04684	6.3
297.15768	2.8
325.10779	2.4
343.08105	4.4
343.12119	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	343.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.05501	9.0
57.03431	5.1
58.99596	23.1
61.01160	30.6
62.80799	3.4
62.99085	20.7
63.99852	13.2
65.03932	4.2
67.05499	11.9
69.03427	12.7
69.07075	20.9
69.66411	22.3
70.06602	8.3
73.00729	4.8
73.01145	100.0
75.02690	7.0
79.05492	12.0
81.07056	11.0
83.08617	7.6
84.08160	7.0
85.01134	6.6
85.02895	13.9
86.99053	5.8
87.02699	9.4
89.00618	11.2
95.01329	16.3
95.04990	10.1
95.08607	4.3
96.05760	4.7
97.06555	26.5
98.21442	8.2
99.02666	13.0
100.11264	34.2
101.04259	24.3
104.98318	58.6
105.07064	3.7
107.08617	3.8
111.02660	10.9
112.03469	12.2
113.04246	65.2
114.05040	9.2
115.05802	9.2
116.98331	8.5
118.99884	9.0
120.97791	10.5
125.05972	12.6
128.94980	42.9
129.03716	32.8
131.05270	9.2
136.95482	4.5
142.99841	9.5
144.99498	4.2
145.01376	13.0
153.05502	8.8
161.00925	6.7
163.02472	30.3
163.11032	3.4
177.05630	3.9
197.19315	3.7
215.05531	9.6
301.21350	4.3
301.47943	4.9
343.30667	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	343.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83455	3.5
54.64960	3.2
55.05503	6.1
57.03432	4.5
58.99589	20.0
61.01157	22.7
67.05502	6.4
67.83448	3.4
69.07063	5.7
69.77202	4.0
70.67799	6.3
70.68170	7.7
73.01149	100.0
75.02692	4.8
75.27229	4.2
77.12878	3.0
79.05479	10.9
81.07043	6.4
83.08595	5.8
86.99067	5.8
87.02699	7.9
89.00614	6.0
97.06527	12.1
99.02679	7.2
101.04245	21.1
104.98327	59.4
111.02667	5.3
112.03442	9.6
113.04244	52.6
114.04977	9.7
115.05769	7.6
116.98289	9.6
117.03368	6.8
118.99868	12.0
120.97826	7.8
129.03712	27.2
142.99835	11.5
145.01418	12.8
145.02843	18.3
152.94971	3.7
163.02487	28.8
177.05501	38.1
179.00217	6.5
179.01837	3.6
194.99655	7.6
204.97878	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	343.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.05518	12.2
57.03422	6.2
57.44414	2.2
58.99593	18.5
59.96715	2.4
61.01153	30.1
67.05502	5.4
69.03399	2.6
69.07067	13.8
70.06590	5.1
70.67899	5.1
70.68234	4.3
72.00378	2.7
73.01148	100.0
75.02708	5.0
77.10433	2.5
78.71642	2.6
78.96784	3.2
79.05493	13.7
80.06230	3.2
81.07064	12.2
83.04982	5.1
83.08598	5.9
84.08135	3.8
85.01131	6.4
85.02885	3.4
85.06540	4.0
85.98030	6.0
86.09687	4.9
86.99057	4.7
87.02702	6.8
89.00608	9.8
89.03896	4.1
91.05466	7.8
93.07030	4.2
95.04945	4.7
97.06552	16.4
99.02669	11.4
101.04259	17.5
103.97468	2.7
104.98328	55.1
107.08567	3.8
108.92370	3.2
109.10158	3.9
111.02650	8.6
112.03415	9.9
113.00320	5.6
113.04246	57.0
114.04996	9.5
115.05776	5.3
116.98296	6.0
117.03400	15.9
117.26134	2.4
118.99858	15.1
119.04974	3.5
120.08115	2.5
120.97794	6.3
129.03711	22.7
130.04517	3.5
131.05258	7.5
131.96744	13.9
137.05998	4.7
137.67607	2.7
138.97025	3.5
142.99889	4.4
145.01407	16.1
145.02837	36.5
151.07489	5.7
156.81561	2.9
158.99211	5.3
161.00922	6.5
163.02449	17.1
163.11209	6.3
171.15721	2.7
177.05481	79.3
179.00226	3.9
191.03378	3.9
194.07262	4.7
194.95987	3.5
201.05457	3.7
204.97929	3.4
205.06537	3.9
224.39656	2.4
233.06071	4.5
235.02841	3.2
244.66000	2.2
250.06216	4.3
265.08539	6.5
267.06610	3.0
278.05652	2.8
278.99933	2.6
283.09607	3.5
293.08102	5.9
297.11075	3.3
307.09665	5.3
325.10626	9.2
343.08170	5.2
343.12326	3.0
343.16675	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	343.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	33.1
61.23620	0.7
61.60594	0.7
63.85446	0.9
67.95071	0.7
69.03414	2.6
69.52934	5.0
69.53325	1.8
70.06597	7.0
71.95263	2.4
72.08147	2.4
74.97633	0.7
78.74139	0.8
84.04530	1.1
84.08160	6.3
84.96037	3.4
85.02902	2.0
86.09710	1.2
88.04012	0.9
89.24118	0.7
93.83443	0.8
97.02882	2.1
98.97591	100.0
107.77650	0.7
110.07168	1.5
110.97571	28.4
112.99129	3.8
116.07056	1.1
116.98628	62.1
119.01862	1.0
125.98660	1.9
128.98611	32.9
129.10216	2.8
130.93318	1.5
131.00208	4.6
134.99672	20.3
136.03932	1.0
140.98584	0.8
142.01750	0.8
143.00204	1.6
143.99742	2.0
145.01758	0.8
146.97878	1.1
146.99666	13.7
147.14204	0.7
149.01221	2.0
150.98160	2.5
152.98584	0.9
153.00676	2.3
154.94238	0.8
158.99644	2.7
161.01311	0.8
162.99077	0.8
163.05043	1.2
165.00786	1.0
167.00531	1.3
168.99217	18.2
169.13460	0.8
170.99684	6.5
173.02992	0.9
177.00633	1.6
182.99702	3.4
187.00287	76.7
189.00711	9.0
190.95393	1.7
201.00589	5.5
205.01343	45.4
206.07150	1.2
207.01730	2.1
210.02003	0.9
211.00267	9.0
211.07108	1.7
219.01768	1.5
221.82431	0.9
223.00261	5.4
229.01340	51.9
231.01793	3.6
241.01324	19.5
241.03613	1.6
243.02965	1.5
247.02415	11.0
248.99437	1.0
249.00215	1.1
249.02821	5.6
252.02655	1.1
253.01306	7.1
259.02499	4.0
265.01376	1.3
267.00214	1.3
271.02353	3.1
283.02432	1.7
301.03503	6.3
318.96451	1.9
319.04510	15.6
337.05511	7.0
343.04471	21.9
343.19769	0.9
361.05527	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	342.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.8
56.05024	3.6
56.74121	1.2
57.03433	2.8
58.06594	1.4
62.99081	49.1
63.99860	29.4
67.05482	2.1
69.03429	18.7
69.07056	3.5
70.06598	19.2
70.06964	2.4
70.07426	1.2
70.84058	3.3
72.08157	15.2
72.08540	2.2
74.06080	1.8
79.05476	3.6
84.04504	15.2
84.08152	25.7
85.02427	1.6
85.02908	22.1
86.09714	32.2
87.10035	2.7
87.84628	1.4
91.05482	4.0
95.00760	1.9
95.01335	28.5
95.04955	5.7
96.55404	1.1
97.06530	4.4
102.05532	2.6
105.07029	1.3
107.04900	1.7
110.05965	1.4
110.07157	3.7
113.07109	1.5
116.07072	5.9
118.06552	2.3
120.08121	4.7
123.04423	2.0
125.05998	21.6
127.03910	2.5
128.94991	100.0
129.10243	11.3
130.05019	1.9
130.92076	1.4
132.10240	1.8
135.06787	3.5
136.07564	3.6
137.05960	3.3
141.05414	1.7
143.07048	3.1
146.06065	2.1
150.06665	1.4
151.03876	2.0
153.04315	1.9
153.05481	25.7
163.11201	1.9
165.05478	1.5
175.07556	1.4
178.05841	1.6
181.85585	1.2
183.11261	2.0
185.71175	1.2
197.04457	1.8
199.18063	3.1
201.05516	2.7
203.48741	1.3
205.06546	2.5
205.08432	1.2
209.16528	1.4
215.05505	19.4
222.06790	2.1
226.15500	1.8
231.11330	1.7
234.06592	1.2
250.06219	1.8
263.70825	1.3
265.08542	4.4
274.59653	1.2
278.05780	1.7
280.13544	2.1
289.14246	1.6
293.08014	3.1
302.14984	1.4
307.09628	4.3
325.10809	3.3
343.30838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.9
57.07079	35.5
58.41149	1.2
60.04525	5.3
62.06084	2.6
67.05508	11.9
69.03429	6.5
69.07082	9.1
70.02933	2.4
70.06530	7.9
71.08636	24.3
72.04520	6.8
73.01141	1.9
79.05495	6.5
81.03421	10.5
81.07069	12.2
83.04980	2.5
83.08617	6.5
85.02909	1.7
85.10183	12.0
91.05444	1.6
93.07053	3.8
95.04977	4.4
95.08611	18.3
97.02907	8.3
97.06543	2.0
97.10175	4.2
98.21508	2.2
100.03984	2.8
105.07043	2.4
107.04950	7.1
107.08624	2.5
109.10160	7.9
111.04446	5.4
111.11758	2.5
113.04269	2.8
121.06480	1.6
121.10146	1.6
123.11734	4.2
125.05971	1.7
137.13280	1.8
161.00706	1.4
211.20570	4.9
279.23203	100.0
296.25891	3.7
342.26218	2.2
342.37445	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	342.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01873	1.2
55.05515	1.1
57.03433	3.7
62.99081	47.9
63.99534	1.9
63.99862	37.7
67.05504	1.2
69.03078	2.0
69.03434	31.5
69.03812	2.1
69.07055	1.7
70.06584	5.3
70.90820	2.8
72.08148	3.8
79.05491	2.6
81.03418	1.3
81.07030	1.1
83.04964	1.3
84.08141	3.1
85.02911	29.3
86.09714	8.7
87.10053	1.1
92.64772	1.1
94.96204	1.5
95.01336	42.4
95.04961	3.8
97.02863	2.3
97.06545	5.3
99.04523	1.4
102.81438	1.0
103.03911	2.0
107.04942	2.4
107.08550	1.3
109.52864	1.0
113.02383	1.7
116.07087	3.5
123.04402	2.3
125.06003	35.7
127.03887	1.3
128.94997	100.0
129.10286	1.3
141.05486	2.5
143.07024	1.0
145.10054	1.8
153.05478	33.8
155.19611	1.1
163.11176	7.6
181.12228	1.3
197.04486	2.6
215.05518	27.7
241.30693	1.1
302.33606	1.2
343.13449	4.1
346.84457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57998	1.0
55.05516	8.9
57.03442	1.4
57.06818	1.4
57.07077	14.4
58.69863	0.8
60.24981	0.9
61.02922	2.6
62.88654	0.9
69.03428	4.6
69.44344	5.9
69.44752	2.1
70.06595	37.3
70.70682	0.9
71.08790	1.0
72.08147	1.9
72.94277	1.0
73.01141	2.4
73.02935	1.2
73.06549	1.2
81.03411	3.2
83.08606	4.1
84.04552	1.1
84.08137	2.4
85.02427	1.4
85.02908	18.2
86.09708	10.4
89.05479	2.1
89.06036	41.0
91.03938	1.5
97.02916	4.9
99.04395	1.0
100.24831	1.0
101.09655	15.6
107.04991	1.4
107.07073	46.2
107.07816	2.3
109.02871	2.0
116.07070	1.2
120.08093	2.4
127.03888	2.0
136.07591	1.0
137.05968	2.1
145.02881	2.1
145.04971	3.6
151.07581	1.2
157.35126	1.0
163.13300	100.0
164.80376	1.0
175.03923	1.3
177.05519	2.4
180.06532	1.4
183.14958	9.8
184.83180	0.9
211.14456	7.5
229.15520	3.5
277.87064	1.0
342.23679	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	342.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.2
57.03432	5.3
61.02926	10.5
68.34034	2.8
69.03438	21.0
70.06606	19.3
71.55122	4.1
72.08155	8.6
73.01134	2.9
81.03411	5.3
84.04504	5.5
84.08138	9.1
85.02912	100.0
85.03427	5.1
86.09704	13.7
91.03975	2.8
95.01335	8.2
96.97831	12.5
97.02892	24.4
99.04472	3.8
109.02867	6.5
110.07185	11.1
111.04482	3.3
117.09074	3.8
123.04411	3.4
125.06002	3.4
127.03928	25.6
129.10255	4.9
132.06619	3.1
145.04973	52.6
153.05478	7.0
163.06042	12.2
175.90166	2.6
179.03391	2.6
183.11380	2.5
185.06354	2.9
213.03984	10.1
215.05548	16.9
249.71660	2.8
267.38348	3.1
284.91489	2.7
294.98386	2.8
311.02393	6.0
312.08621	2.9
313.71396	2.6
342.13678	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	52.5
70.06583	4.7
71.54152	1.5
71.95251	1.5
72.08160	1.8
72.96049	4.1
83.97640	1.6
84.08141	3.2
84.96040	2.7
86.09718	8.0
97.99142	1.0
98.97567	3.5
110.07153	4.9
110.97573	2.0
115.00717	1.5
126.02254	3.5
128.98595	2.6
129.06024	1.2
129.10266	1.2
130.53520	1.3
130.93315	3.1
134.99626	1.1
140.03850	5.7
142.05452	5.6
144.03296	1.7
158.04927	9.0
160.06468	15.9
168.00862	2.8
170.04865	5.9
171.03305	3.1
176.05978	3.3
177.00951	1.5
178.07549	1.9
185.33498	1.2
186.01816	1.3
188.05984	12.0
189.04341	14.0
199.96039	1.2
206.07010	22.2
207.05420	7.5
210.01949	1.9
224.08075	25.3
228.02957	2.3
289.83554	1.1
301.14313	18.2
302.12872	2.5
316.04004	1.2
318.01801	1.8
319.15417	100.0
320.15710	1.6
332.03012	1.1
337.16507	12.7
342.16910	1.5
360.02704	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11097	41.2
56.69786	35.7
58.99594	40.1
62.03463	32.5
67.05524	42.2
68.34130	33.4
69.07072	40.0
70.06590	71.2
70.67277	50.2
70.67632	97.5
85.02913	34.7
88.50430	33.3
93.07064	33.3
104.98338	41.6
113.04206	100.0
113.04942	39.9
190.83995	42.3
195.81436	37.7
278.58902	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03429	0.7
58.06598	1.0
62.23523	0.7
62.99068	2.8
63.99854	2.3
67.68979	0.7
69.03421	2.1
69.07066	2.0
70.06593	6.7
71.06366	1.2
71.06722	1.1
72.08156	1.6
84.04468	0.9
84.08136	2.2
85.02912	3.9
86.09214	1.3
86.09707	20.4
89.03905	1.2
91.05473	1.3
95.01347	1.0
95.04967	1.6
97.02883	1.1
107.08616	0.9
116.07094	9.2
117.03357	2.9
120.08170	0.9
121.10125	0.9
123.47242	0.8
125.05986	2.3
128.95006	6.3
130.05011	1.3
134.70872	0.9
137.05992	1.6
138.05504	1.8
145.02829	7.5
145.04979	1.2
145.06464	1.5
149.06017	1.7
155.08209	1.3
161.05980	0.9
163.11156	3.0
165.06924	2.0
166.07773	1.9
173.06017	1.4
175.07545	1.0
176.06195	2.3
177.05475	12.2
177.07022	4.3
178.07774	2.5
179.08487	1.2
181.12286	1.0
183.07777	1.1
186.12547	0.9
189.06985	1.9
191.08572	2.5
193.06400	1.8
194.07266	5.2
195.08090	0.9
199.17998	4.4
201.12395	1.4
204.05656	1.5
205.06499	19.2
206.07224	2.7
207.08061	3.4
208.08896	1.0
209.09540	1.1
211.07306	1.9
215.05374	1.2
217.06532	2.8
218.07256	5.8
219.08113	5.5
221.05991	8.1
222.06804	10.8
223.07523	2.2
225.05547	0.9
227.17505	1.4
229.11914	1.1
232.05104	0.9
233.05978	24.5
234.06734	7.4
235.07504	4.5
236.04767	1.9
236.08276	5.0
237.09105	5.0
238.06017	1.0
239.07071	2.6
242.17888	0.9
245.06003	1.2
246.06752	8.8
247.07439	5.9
248.08276	1.3
249.05414	6.6
249.09053	3.8
250.06285	19.3
251.07072	6.1
252.07875	1.1
253.04883	1.5
254.09193	0.7
261.05511	19.0
261.08636	1.5
262.06207	3.6
263.07043	8.8
264.03998	0.8
264.04840	0.8
264.07809	8.9
265.08606	15.6
266.09326	3.6
267.06540	7.1
267.09305	1.3
268.07236	3.4
274.06210	3.1
275.06976	5.0
277.05243	1.8
277.08569	4.3
278.05743	10.6
279.06448	2.8
279.10211	2.2
281.08047	2.5
282.08746	2.9
283.06509	1.5
283.09659	22.8
289.08707	1.7
291.06387	1.8
292.07266	10.7
293.08066	25.6
294.08582	1.4
295.06180	5.5
297.11270	4.1
307.09628	30.4
307.13147	1.8
310.08255	7.2
325.10715	100.0
326.10986	1.8
341.38293	0.9
342.13361	24.4
342.17432	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48378	3.0
55.05515	3.7
67.05506	6.5
67.78123	2.7
69.62073	19.4
71.04980	3.8
79.05495	6.0
81.07058	12.1
83.05009	3.6
85.06533	14.6
91.05486	12.0
93.07060	11.6
95.08613	19.4
98.20741	5.8
105.07026	12.8
107.08597	8.1
109.06556	5.2
109.10211	8.3
111.04341	2.7
113.09628	3.7
117.07045	4.3
119.08589	10.9
121.10149	6.9
123.08083	10.5
131.08633	5.8
133.10136	11.5
133.14954	3.2
135.08063	5.3
137.09673	4.1
143.08554	4.9
145.10182	15.4
147.11646	4.6
150.58551	3.8
151.07558	100.0
165.09079	3.5
173.09695	6.6
175.07552	5.7
177.09166	4.3
185.13411	3.3
189.09119	17.4
191.10603	16.7
197.13258	3.7
199.11292	4.2
201.09161	7.5
202.09941	3.9
203.10631	6.9
213.09233	3.4
215.10735	10.4
215.38686	3.6
217.12378	3.8
227.10663	5.2
228.11540	4.1
229.12312	13.3
241.12195	11.1
253.12227	5.2
255.13795	3.8
256.14514	3.6
257.15393	10.3
265.15952	3.3
267.13660	4.0
271.16983	3.4
283.17020	17.1
308.69919	3.2
323.20105	9.0
341.21185	49.5
343.77347	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	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.05503	0.8
56.05039	0.4
57.03431	0.7
58.99586	0.8
59.05012	0.7
59.96735	0.5
61.01152	1.5
61.93610	0.3
65.68079	0.3
66.98565	0.7
67.05512	0.9
69.03431	2.7
69.07075	0.5
70.06584	2.5
71.05006	0.9
72.08167	1.6
73.01147	100.0
74.00620	0.3
74.01527	0.6
74.01926	1.9
75.02699	2.9
75.83628	0.3
79.05508	1.2
79.53172	0.3
81.03431	0.4
81.07067	1.3
83.01347	0.4
83.04971	0.6
84.04522	0.7
84.08144	1.7
85.01140	0.4
85.02910	2.2
85.06599	0.4
86.09720	2.1
86.99048	0.3
87.00822	0.3
87.02692	0.7
87.05593	0.4
89.03912	0.4
91.02178	2.2
91.05486	1.1
93.03791	1.5
94.04185	0.8
95.01341	4.2
95.04988	1.0
97.02894	1.5
97.06537	0.8
98.21526	0.8
100.91007	0.3
101.00620	1.5
101.02367	0.4
101.04274	0.4
103.02113	0.5
103.05489	0.9
104.98324	4.3
105.03379	0.3
105.07039	0.5
107.04987	0.7
109.03217	1.1
109.06544	1.0
110.07196	0.6
111.04468	1.0
113.02381	1.3
114.03766	0.8
115.02176	0.7
115.03994	0.6
115.05507	0.4
116.01052	0.5
116.05334	0.3
116.07112	0.5
117.03413	0.3
117.39314	0.3
119.04987	0.5
120.08146	0.8
122.03661	2.6
123.04428	0.9
125.00931	3.3
125.06007	1.2
127.02172	0.4
127.03925	0.8
128.06259	0.9
129.01868	1.3
129.03757	1.2
129.07016	3.3
129.10271	0.8
130.05037	0.7
131.01646	1.8
131.05013	0.9
131.08574	0.7
133.02922	0.8
137.05986	31.9
139.02155	0.4
139.05519	0.3
141.01849	2.6
143.01668	0.4
143.04951	0.3
143.11833	0.4
144.05748	1.3
145.02885	1.6
145.06479	0.7
146.07297	0.5
147.04419	0.4
148.11771	0.4
149.05972	0.7
151.03918	1.1
151.07559	1.6
153.05453	1.8
157.03194	2.3
157.05054	0.9
157.06531	2.4
158.07314	0.7
159.01108	0.3
159.08101	0.4
160.05275	0.5
161.05971	0.8
163.07590	0.8
165.04066	12.9
165.05441	0.9
167.07106	0.8
167.08493	0.4
171.05338	0.3
171.06624	1.6
171.08043	0.7
172.05215	1.9
173.06097	0.5
174.06776	3.6
175.04300	0.6
175.07550	3.0
176.08470	0.3
177.03978	3.1
177.05534	2.2
179.07086	0.5
185.02686	6.1
187.05870	0.7
187.07558	13.1
188.08258	0.7
189.07367	0.7
189.09122	5.2
189.10689	0.4
190.07829	0.6
191.07059	0.5
191.08612	1.5
196.05247	0.7
199.07571	1.5
202.07834	1.3
203.03745	2.2
203.08614	3.9
203.10449	0.5
205.06645	0.9
207.08144	0.8
208.08891	0.5
210.31989	0.3
211.02281	0.4
211.07587	1.8
212.04636	0.3
217.06808	0.6
217.08665	6.7
218.07368	0.7
219.08052	4.3
219.09801	0.4
220.08797	2.2
221.04877	0.8
221.09735	0.5
222.06888	0.5
227.07117	1.9
231.08063	4.5
232.03900	0.4
232.08736	0.6
233.06104	0.7
233.09671	0.5
234.06847	0.5
235.07661	0.9
236.08374	1.2
237.09154	1.3
239.07120	1.0
240.07889	0.9
245.09775	0.4
247.07626	3.0
248.08389	5.3
249.05473	0.5
249.09181	0.9
250.09953	0.3
251.10710	2.2
253.08632	0.8
255.06598	2.0
256.07440	0.4
259.07520	2.3
260.02017	0.3
260.08429	0.7
261.05573	0.5
261.09195	1.2
262.06488	0.4
262.09720	0.4
263.07220	0.6
263.10693	5.6
264.07791	1.6
265.08560	1.6
267.05426	0.8
268.07449	0.4
270.08887	3.6
271.09610	2.9
276.07840	3.2
277.05725	2.4
277.08765	1.4
279.10187	5.2
280.10934	0.7
281.08139	1.0
281.11685	0.8
283.09888	0.9
291.10178	12.9
292.11005	1.0
293.08151	2.1
295.09808	0.4
296.10391	3.2
297.11420	1.1
308.10541	1.1
309.11246	0.6
311.12793	5.4
323.06494	0.6
323.12790	12.3
341.07272	8.2
341.13818	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
56.05027	1.7
57.03433	1.2
57.61148	1.2
58.99590	3.6
60.04544	1.3
68.84611	0.8
69.03431	1.6
69.07052	1.1
70.06603	9.6
71.06120	4.6
71.06924	1.2
71.54948	1.2
72.04512	3.9
72.08168	4.6
73.01122	1.0
73.04784	1.2
74.00663	1.2
74.06075	1.2
76.02234	26.8
77.00627	2.7
82.06560	1.2
83.07412	0.9
83.62349	1.1
84.04530	4.4
84.08157	13.1
85.02899	2.8
85.06583	1.1
86.00665	1.8
86.06083	1.0
86.09710	10.4
89.07156	1.4
91.05812	2.0
95.04950	1.1
97.02877	2.0
100.02214	3.9
100.11237	2.5
100.74951	1.0
103.05492	0.9
107.04948	1.2
107.99434	1.9
110.06010	1.0
110.07188	5.0
112.02181	2.2
116.07101	3.9
118.03249	15.2
120.08101	2.7
124.07544	1.1
127.03975	1.0
129.04831	2.3
129.10254	6.0
130.03221	11.6
130.04959	2.5
130.08575	1.4
136.07558	2.2
137.05963	4.8
139.03275	1.6
142.08667	3.3
145.04951	1.3
147.05879	100.0
157.04338	1.7
163.07539	1.6
179.03308	1.1
183.11295	1.1
184.09705	3.4
187.07452	1.6
201.12697	1.2
209.16541	1.8
211.05717	27.4
211.07716	1.9
213.12546	1.0
217.08623	1.3
218.28471	1.2
226.30774	1.0
227.13824	1.2
241.10091	1.8
257.09738	1.1
259.11118	21.6
265.08755	1.3
277.12164	1.1
279.10056	0.9
291.10022	1.7
299.10416	1.6
323.10367	2.2
330.62915	1.0
341.11374	6.2
342.13376	2.2
359.02835	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.0
53.04155	0.4
55.01875	2.8
55.05520	0.6
56.05020	0.4
57.03444	2.4
58.06575	0.5
59.04982	0.5
60.04505	0.8
61.01127	0.6
61.02904	1.3
68.05012	0.5
69.03432	14.0
69.07046	0.5
70.06593	4.7
70.70805	1.1
71.01332	1.3
71.04996	5.0
71.06924	0.4
72.08160	3.3
73.02879	1.0
74.06055	0.8
79.05461	0.6
81.03418	16.9
83.06110	2.4
83.07252	0.4
84.04504	2.2
84.08150	4.8
85.02872	1.1
85.04029	0.4
86.09711	3.1
86.99014	0.5
91.05386	0.7
91.05848	0.7
97.02899	0.6
97.06509	0.4
99.04453	6.2
100.07578	0.4
103.05474	2.0
104.98353	0.5
106.06547	0.7
107.04953	0.5
107.99391	0.6
108.08123	0.7
110.07167	2.1
112.03956	0.4
112.07622	0.6
112.74465	0.4
116.07069	1.3
117.05497	1.9
120.08100	1.4
121.06506	0.4
129.10201	1.7
130.04970	1.5
131.04918	2.5
131.94218	0.4
133.07608	5.7
134.06010	1.9
135.09143	0.7
136.07635	0.8
137.05974	4.7
142.18968	0.4
145.04929	0.5
149.05988	0.7
151.03885	1.0
160.07556	1.2
161.07104	10.2
162.05537	0.5
163.07492	1.9
163.08669	6.5
169.38745	0.3
177.03261	1.1
177.05464	1.1
178.07326	1.1
179.03328	0.8
179.08209	1.1
182.12883	1.1
187.07544	1.1
189.06598	7.2
189.09180	0.7
191.08182	5.9
196.14510	0.4
203.08545	0.7
207.07657	100.0
208.07954	1.2
217.08560	1.0
219.07985	0.7
231.07884	0.8
235.07506	0.4
247.10863	0.6
248.08308	0.5
249.08730	1.9
249.63081	0.5
251.05174	1.3
263.07117	0.4
264.07758	0.4
265.08646	0.8
271.09604	0.8
279.10123	0.7
283.09543	0.7
287.10321	0.6
291.10123	1.0
296.10382	0.6
300.12317	0.6
305.11276	1.9
311.12543	0.4
323.12393	36.6
324.12756	1.1
341.13477	26.8
342.13547	0.9
359.02917	0.9
363.18619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
53.04202	0.4
55.01867	2.2
55.05503	0.7
57.03439	1.4
58.99587	1.5
59.96730	0.8
61.01154	1.5
66.98566	0.6
67.05506	1.2
68.01389	0.5
68.99818	0.4
69.03437	3.1
69.07081	0.7
70.06593	2.6
70.74036	1.3
71.05003	1.0
72.08173	0.9
73.01147	100.0
74.00666	0.6
74.01556	0.5
74.01904	2.1
74.64740	0.4
75.02706	3.3
78.96794	0.7
79.05502	0.8
80.35602	0.4
81.07062	0.5
83.01373	0.5
83.04981	0.5
84.04512	1.3
84.08148	2.0
85.01134	0.7
85.02936	2.3
86.09737	2.2
87.02715	0.7
89.00648	0.6
91.02159	2.1
91.05438	0.4
93.03746	1.3
95.01340	4.2
95.05000	0.7
95.08620	0.5
97.02919	1.0
97.06538	0.8
99.02714	0.8
99.04490	1.1
101.00633	2.1
101.02421	0.5
101.04266	0.6
104.98322	4.0
105.37292	0.4
107.04943	0.6
109.03225	1.5
110.07240	0.5
111.02680	0.5
111.04429	0.7
112.04016	0.5
113.00587	0.5
113.02381	1.4
113.04268	0.5
114.03754	0.6
115.02198	1.2
115.03931	1.0
116.01071	0.8
116.05306	1.2
116.07111	1.1
120.08132	0.5
125.00933	7.8
125.06014	0.9
127.03936	0.9
129.01863	0.8
129.03725	0.9
129.10258	0.6
130.05052	0.9
131.01680	2.3
137.06003	1.0
139.02180	0.6
141.01859	3.4
141.03740	0.8
141.05511	1.1
142.92561	0.4
143.01663	0.9
148.02559	0.6
153.05490	1.5
157.03239	1.7
159.02928	1.0
165.04059	14.9
169.04962	0.6
171.06583	1.4
172.86203	0.4
173.02686	0.5
175.04329	0.6
177.03996	4.0
185.02686	6.6
185.04150	0.7
199.06119	0.8
202.05464	0.9
203.03780	3.8
217.06572	0.5
219.08051	1.5
221.04863	3.1
251.05310	1.0
267.05515	1.4
277.05780	2.1
323.06299	0.7
341.07254	11.4
341.11325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40223	0.3
55.01874	1.9
55.05499	0.5
57.03439	1.0
58.99588	1.0
59.96733	0.5
61.01160	1.0
61.02943	0.3
63.27641	0.4
65.03886	0.4
66.98577	0.4
67.05497	1.0
69.03423	2.8
69.07082	0.3
70.06599	0.9
70.35564	0.3
71.01357	0.5
71.05002	0.6
72.08154	1.2
73.01146	100.0
74.01552	0.5
74.01921	1.9
75.02710	2.7
78.96778	0.4
79.05493	1.0
81.07063	0.8
81.89619	0.3
83.01350	0.6
83.04976	0.8
84.08144	0.8
85.01124	0.7
85.02890	1.6
86.09715	0.7
87.02708	0.8
91.02200	1.9
91.05457	0.7
93.03757	0.6
94.04193	0.8
95.01337	4.7
95.04993	0.4
97.02903	1.2
97.06551	0.6
98.20766	1.4
99.02725	0.6
99.04470	0.5
101.00584	1.6
101.02377	0.5
101.04258	0.5
103.02194	0.4
104.98322	3.6
106.99886	0.4
107.04956	0.7
109.03201	1.5
109.06534	0.7
111.04490	0.8
113.00629	0.4
113.02393	0.5
115.02184	0.7
116.01047	0.5
119.04935	0.4
120.17077	0.3
122.03671	1.5
123.04484	0.6
125.00947	3.8
125.06020	0.9
127.03925	0.5
128.06236	0.5
129.01866	0.9
129.03741	0.6
129.07016	2.0
131.01640	1.5
131.05003	0.4
137.05986	18.3
141.01855	2.6
141.03580	0.3
141.05498	0.5
144.05727	0.9
145.06519	0.4
149.05963	0.5
151.07587	0.5
153.05464	2.3
157.03201	1.8
157.05008	1.2
157.06523	1.3
159.02950	0.5
161.06049	0.7
163.07709	0.6
165.04054	13.0
165.05345	0.6
169.04996	0.5
170.02103	0.3
171.06575	1.4
172.05193	1.5
174.06802	2.2
175.07515	1.8
177.03981	3.4
177.05408	0.6
185.02689	6.7
187.07561	7.4
189.09091	3.2
190.07880	0.4
191.08653	0.7
199.06010	0.4
199.07581	1.1
202.07881	0.9
203.03799	1.7
203.08530	2.4
205.06535	0.6
208.08925	0.5
211.07603	0.9
215.03487	0.4
217.08624	4.2
219.08072	2.5
220.08859	1.0
221.04895	1.4
227.07109	1.2
230.07126	0.4
231.08063	3.6
232.08939	0.8
235.07620	0.8
236.08395	0.9
237.09222	0.6
239.07103	0.9
240.07904	0.6
247.07523	2.2
248.08372	3.8
249.05670	0.4
249.09219	0.4
251.10756	1.4
253.08707	0.7
255.06584	1.0
256.07245	0.4
259.07660	1.4
260.08356	0.7
261.09103	0.7
263.07010	0.4
263.10727	3.0
264.07834	0.6
265.08691	1.3
267.05362	0.8
270.08948	2.3
271.09723	1.8
276.07782	1.9
277.05695	2.9
277.08594	1.3
278.09494	0.4
279.10199	3.2
281.08124	1.0
283.09637	0.9
291.10147	7.9
292.11047	0.6
293.08112	1.2
293.11505	0.5
296.10562	1.5
308.10535	1.2
309.11246	0.5
311.12790	3.3
323.06314	1.0
323.12790	7.1
341.07257	7.7
341.13712	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	341.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01873	2.1
55.05511	0.6
57.03441	1.6
58.99588	0.7
59.96741	0.8
61.01155	0.5
61.02922	0.5
67.05493	1.1
69.03440	2.9
69.07056	0.5
70.06672	0.5
70.63697	0.5
70.64047	0.7
71.01374	0.5
71.04986	0.8
73.01147	100.0
74.01936	1.3
75.02715	1.9
78.96780	0.4
79.05498	1.0
81.07076	0.7
83.04990	0.7
85.01151	1.1
85.02903	1.8
87.02700	0.6
91.02196	1.9
92.98342	0.5
93.03768	0.5
95.01332	3.3
95.04992	0.5
97.02922	1.3
97.06555	1.1
99.02721	0.4
99.04457	1.0
101.00613	2.6
101.04262	0.5
103.02180	0.8
104.98304	1.9
107.05019	0.7
109.03161	1.4
111.02700	1.0
111.04488	0.7
113.00551	0.7
113.02402	0.9
113.04266	0.9
113.06063	0.6
114.01099	0.4
115.02161	0.8
115.03975	0.8
125.00925	5.6
125.06026	1.3
127.02181	0.8
127.03955	0.8
129.01891	0.7
129.03731	0.9
131.01614	2.0
137.05998	0.8
139.03926	0.6
141.01878	1.7
141.03697	1.1
141.05493	0.7
142.42505	0.4
143.01656	0.6
153.05495	2.7
155.01694	0.6
157.03168	2.9
157.05185	0.4
159.02948	1.2
165.04063	8.2
165.05452	0.6
167.01680	0.4
169.04971	0.6
171.06557	1.7
173.02809	0.4
175.00606	0.4
175.04344	0.7
177.03934	1.7
185.02698	11.4
185.04326	0.8
196.02028	0.6
199.05939	0.5
203.03749	2.4
215.03810	0.6
215.05710	0.5
217.12164	0.4
221.04901	1.6
231.03267	0.7
267.05283	0.5
277.05655	3.4
341.07224	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	341.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01874	1.7
55.05512	0.8
57.03442	1.0
58.22982	0.3
58.99598	0.6
59.96735	0.5
61.01144	1.0
61.02919	0.6
67.05505	0.7
69.03434	2.7
69.07073	1.0
70.05496	1.6
70.06611	0.6
71.04980	0.8
73.01144	100.0
74.01469	0.5
74.01915	1.1
74.82333	0.4
75.02708	2.3
79.05483	1.1
81.07067	0.4
83.04984	1.0
83.85944	0.3
84.08139	0.5
85.01136	0.8
85.02917	1.8
86.09675	0.4
87.02701	0.6
91.02189	2.0
93.03745	1.1
95.01328	3.8
95.08595	0.5
97.02900	1.1
97.06552	0.8
98.21458	0.4
99.02671	0.8
99.04493	0.7
100.11266	0.8
101.00622	1.4
101.02360	0.5
101.04241	0.6
104.98326	2.5
107.04949	0.4
109.03279	1.7
111.02677	0.4
111.04458	0.7
113.00567	0.5
113.02383	0.9
113.04250	0.8
114.09191	1.0
115.02170	0.8
115.03900	0.5
123.04460	0.3
125.00928	4.0
125.06046	0.9
127.02112	0.6
127.03930	0.9
129.01871	1.2
129.03709	0.9
131.01633	1.8
137.06001	0.5
139.02187	0.5
141.01845	2.4
141.03700	0.4
141.05486	0.3
142.08656	0.6
142.99806	0.3
143.01646	0.6
145.03012	0.3
153.05515	1.9
157.03270	1.2
157.04964	0.9
159.02965	0.6
165.04054	11.3
165.05484	0.6
169.03242	0.3
171.06526	2.9
175.04204	0.9
177.03981	2.4
177.05367	0.4
182.15489	0.5
185.02678	5.0
185.04106	0.4
188.03479	0.3
194.35649	0.3
199.17911	0.4
203.03809	1.5
221.04851	1.0
267.05292	0.4
277.05676	1.7
308.04654	0.4
323.06351	1.4
341.07254	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	341.066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.6
56.05026	5.6
58.06603	38.4
61.01151	6.6
62.38556	1.9
64.30071	1.6
65.44177	2.0
67.05505	2.8
68.05039	13.9
69.31921	7.0
69.32354	10.5
70.06592	21.3
72.08154	8.6
73.02973	1.9
74.00671	24.4
76.04005	2.0
81.03409	2.4
81.07076	2.2
82.06575	2.4
83.06097	21.0
83.07364	11.7
84.04493	15.5
84.08146	40.5
85.02901	2.4
85.04037	20.7
86.09704	8.7
90.03757	2.4
92.01707	11.4
94.04180	2.1
97.02918	3.3
103.05453	2.0
104.98328	20.3
109.06529	2.7
110.07140	3.3
112.03976	11.2
113.03503	7.4
113.52538	1.8
114.03704	2.5
116.07109	37.9
120.08109	3.7
122.03654	3.2
129.06979	3.7
129.10252	6.0
130.05009	52.0
131.04497	22.1
137.06000	30.9
143.11679	2.2
148.02487	25.9
151.03926	3.0
151.07558	3.3
157.06432	2.7
160.00583	4.7
174.06789	5.0
175.07521	2.0
176.02040	3.6
177.03313	71.4
177.05571	2.9
179.10619	2.5
182.12921	13.1
186.16074	2.4
187.07558	14.7
188.02031	6.9
189.09111	6.4
199.07561	3.0
203.08693	4.3
207.07800	5.3
210.12399	4.4
217.06566	3.7
217.08646	7.2
219.08128	5.6
231.08051	5.8
234.02568	4.6
247.07561	4.7
248.08275	4.7
249.05389	2.2
251.05214	100.0
263.10727	4.0
265.08859	2.6
270.08936	2.8
271.09717	3.9
279.10172	6.2
291.10123	13.5
293.08063	3.8
311.12900	4.5
323.12793	14.2
341.13675	4.7
341.21768	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	341.037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.3
55.05503	8.6
56.05011	3.0
57.03437	4.0
58.99590	37.2
59.96715	3.1
61.01151	5.3
61.29676	2.2
62.99077	3.8
65.03938	11.0
65.83702	2.3
67.05512	20.3
69.03436	3.7
69.07071	57.3
69.33707	18.9
70.06602	16.9
72.08156	9.2
73.01146	100.0
74.06067	2.4
75.02711	6.8
77.23811	2.3
79.05489	8.5
80.94707	12.1
81.03440	3.1
81.07075	14.5
83.04980	8.0
84.04515	3.9
84.08137	15.8
85.01138	5.1
85.02902	4.1
85.06559	6.0
86.09699	15.7
86.99043	2.6
89.00610	2.5
91.02187	88.1
91.05471	7.3
92.98338	3.2
93.07053	5.7
93.41027	2.2
95.04979	6.2
95.08588	8.3
97.01122	6.7
97.02921	3.9
97.06538	20.0
98.21571	4.3
99.02693	38.3
99.04460	2.9
101.04252	47.8
102.96741	4.4
103.05467	4.4
103.97566	5.1
104.98318	13.2
105.07031	8.4
107.04950	5.7
107.08602	6.5
108.57858	2.3
109.06498	3.9
109.10153	6.5
110.07181	3.5
111.02666	19.8
111.04501	4.3
111.08089	2.6
111.91159	2.5
111.99557	14.1
112.03448	17.8
113.00365	11.0
113.04230	27.9
113.06025	8.9
113.99161	3.5
114.01096	6.0
114.03795	5.6
115.02159	33.2
115.05403	3.4
116.05311	2.9
117.03660	9.5
118.99909	11.6
119.08612	3.9
120.08105	5.0
122.03651	3.1
122.99357	32.0
123.11720	3.9
125.09650	3.9
127.02180	15.0
128.02939	2.9
128.98286	3.1
129.03691	24.2
129.07034	7.3
129.10207	3.7
130.00609	9.1
130.04468	4.2
130.99850	9.1
131.05055	9.1
133.01410	7.6
133.06522	3.1
133.10205	3.0
137.05984	29.1
138.06293	2.5
139.06532	2.9
141.22348	2.5
142.99846	53.4
144.00627	26.7
145.01543	13.5
145.03117	18.5
145.10083	3.1
146.02182	9.3
149.06018	4.0
151.03888	3.1
154.96579	5.1
156.97778	19.6
158.99240	7.8
159.08046	3.4
160.00139	10.2
161.00935	12.9
161.05962	3.8
162.01709	2.7
163.02475	12.2
165.04166	2.8
167.07069	8.1
171.02997	5.7
175.07574	5.9
177.00313	5.9
177.05418	17.4
185.02702	4.0
187.06097	2.5
187.07532	16.3
191.08621	2.4
202.07874	3.1
205.06450	2.4
208.97560	2.7
217.01842	2.7
219.07985	3.9
221.09593	3.3
231.08124	4.2
233.01241	7.4
235.07460	2.8
249.00711	10.4
249.09073	5.9
251.02396	13.7
263.07220	2.5
263.10648	3.9
277.08691	3.2
281.11868	8.7
291.10049	5.9
309.07944	3.1
309.11310	10.4
341.10294	7.0
341.13925	14.3
346.74582	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01869	2.9
55.05507	25.9
57.07070	4.0
58.99594	24.1
61.01150	5.6
65.03953	4.1
67.05504	19.0
69.03426	3.2
69.07072	51.7
70.06590	8.9
71.05013	2.5
71.55529	2.5
72.08144	3.7
73.01144	20.6
79.05499	13.4
79.84737	2.5
81.03429	3.1
81.07050	10.6
82.06620	4.3
83.04976	4.3
83.08635	14.7
84.04514	4.7
84.08144	5.7
85.01129	4.7
85.06551	5.4
86.09703	5.5
86.99047	3.1
87.02712	6.0
89.00616	4.4
91.05444	2.8
92.98336	3.0
93.07064	6.9
95.04972	8.2
95.08627	11.2
96.05748	9.7
97.01121	5.9
97.02892	3.0
97.06537	62.4
97.10188	2.3
99.02690	27.8
100.07611	6.8
100.11265	44.8
101.04251	49.8
101.05291	2.6
101.06043	2.3
101.11588	3.6
102.96751	2.7
103.05486	2.1
103.97523	3.5
104.75407	2.1
104.98313	15.0
105.07051	4.1
106.69358	2.3
107.08593	8.0
107.99426	5.4
108.99780	2.6
109.10191	4.8
110.06042	5.0
111.02661	22.0
111.04449	10.1
111.08089	2.6
112.03454	30.6
112.07546	2.8
113.04237	100.0
114.05054	4.1
115.02152	11.6
116.98327	3.8
118.99872	4.6
119.08588	3.0
120.08119	2.8
120.97812	6.4
121.06500	3.8
121.10192	3.3
122.99360	2.9
123.11735	3.7
123.24142	2.0
127.02154	3.0
127.96945	5.9
128.02884	3.9
128.07063	4.7
129.03712	46.7
129.10233	2.6
129.96715	5.3
130.04437	17.4
131.05325	16.8
133.01437	12.8
135.11705	4.6
136.95526	3.5
137.05997	6.6
141.11418	2.7
142.99847	75.1
144.00615	3.5
145.01401	10.0
147.11714	2.7
149.13197	2.5
161.00911	14.9
162.01672	4.4
163.02463	27.6
173.21858	2.0
176.96098	2.3
180.50963	2.3
182.15434	17.4
187.07532	5.1
199.18066	3.0
203.08498	3.0
209.16562	3.1
210.14908	25.1
212.02539	3.0
213.17915	5.0
213.67143	3.0
227.17595	16.3
227.66780	5.2
228.16040	3.1
251.02310	43.7
277.21970	10.7
305.24637	3.1
338.93231	2.5
341.06656	2.6
341.14087	6.5
344.29074	8.7
346.49414	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	341.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24355	0.8
53.03934	1.0
55.05500	1.2
58.99589	15.6
61.01154	15.9
61.86945	0.8
65.03931	1.8
67.05514	5.3
69.07073	15.8
70.99570	2.4
71.25893	1.9
71.26237	1.0
72.00356	1.1
73.01143	8.8
79.05486	8.1
85.01122	2.0
85.06567	0.8
86.99062	3.0
87.02694	3.2
89.00650	1.7
95.04978	3.7
96.05759	3.6
97.01126	2.4
97.06537	11.5
99.02658	6.2
101.04251	14.0
102.96758	2.3
103.97535	2.6
104.98325	33.2
107.01646	2.9
107.08614	1.1
109.10181	1.0
111.02670	21.5
111.03431	1.1
112.03448	11.2
113.04237	100.0
115.02160	12.5
120.97809	1.6
127.02145	2.2
129.03712	28.3
130.04526	8.5
130.17076	0.8
131.05289	3.2
133.01405	3.6
136.95508	1.7
142.99864	12.2
144.00639	3.8
145.01422	3.2
159.11578	0.9
161.00905	11.0
171.08372	0.9
217.01740	1.1
341.20987	1.4
341.28571	1.2
349.97195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
53.47946	1.1
54.18337	0.9
55.05519	1.7
55.93527	1.1
57.07068	1.9
57.39402	1.1
57.92221	1.0
58.99589	14.2
59.12709	1.0
61.01152	12.2
65.03941	3.2
67.05519	7.2
69.07071	12.0
70.01287	1.0
70.06632	1.1
70.73312	2.2
70.73666	2.4
70.99583	1.8
72.27202	1.1
73.01147	20.0
73.06576	1.8
75.02705	1.7
79.05503	8.8
81.07078	2.2
83.04996	1.9
85.01136	2.8
86.09682	1.8
86.99086	1.3
87.02692	3.3
89.00613	1.2
91.05859	1.2
95.04967	2.3
95.08616	1.4
96.05763	1.9
97.01122	3.0
97.06543	7.9
98.01904	1.4
99.02689	11.5
101.04250	14.2
102.96774	1.5
103.97540	4.0
104.98322	21.0
105.07044	1.9
109.10210	1.4
110.48331	1.1
111.02680	13.4
112.03471	12.5
113.04242	100.0
114.05060	1.8
115.02160	4.7
116.98299	1.3
117.03677	1.3
121.10150	2.2
123.07994	1.4
127.02178	2.4
128.02953	1.7
129.03709	17.7
130.04483	5.7
130.99861	5.1
131.05289	4.7
133.01390	1.7
136.95488	6.4
142.99821	8.8
144.00639	3.8
145.01422	6.0
145.10106	1.6
149.02362	3.7
151.07599	1.4
152.06566	1.3
158.99390	2.2
161.00954	4.1
170.28847	1.2
172.89467	1.0
176.98625	1.5
187.05927	1.3
193.04951	2.3
266.99954	2.1
340.28351	2.4
341.03732	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	341.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.6
58.99595	8.5
61.01149	6.9
67.05508	8.8
68.15544	3.2
69.07072	10.1
71.04990	6.8
71.55817	4.6
73.01151	14.4
76.82719	3.2
77.62643	2.7
79.05518	14.2
81.07071	9.7
83.04964	3.2
83.08634	17.7
85.01127	4.4
85.02925	2.7
87.02711	5.6
93.07043	6.5
95.04999	15.9
95.08602	4.5
97.06512	15.3
99.02675	4.5
100.11288	3.3
101.04276	6.5
104.98331	13.5
105.07048	17.9
107.04971	12.5
107.08591	10.9
109.06491	3.4
109.10151	5.2
111.02689	4.9
111.81510	3.3
112.03521	6.9
113.04237	100.0
113.09636	4.3
114.04997	4.9
115.05833	15.5
116.98399	4.3
117.07019	4.7
118.99873	5.1
119.08572	6.5
121.06519	13.1
129.07054	4.2
131.08545	7.2
136.95546	4.9
141.07085	3.7
142.07666	3.0
143.08562	3.3
144.09363	5.9
145.01425	8.6
145.10161	19.3
147.02948	25.4
147.08075	4.0
149.02367	7.1
149.05995	4.7
159.07953	3.0
159.11668	7.3
163.11224	6.6
169.10172	4.2
171.08247	3.1
171.11693	4.2
173.09659	8.4
176.98534	5.3
179.05655	5.9
181.10124	4.7
182.44551	3.0
187.11159	3.9
193.05038	9.9
195.11893	3.1
197.06639	6.6
202.80298	3.0
203.17892	2.9
210.97406	7.9
255.17809	3.5
267.12299	13.4
297.18732	4.1
299.07745	13.2
340.27930	5.0
341.06631	3.8
341.21054	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	341.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43893	0.7
53.03945	1.3
55.05511	1.1
55.08808	0.7
55.09211	0.6
57.03420	1.2
57.07067	1.1
58.99593	7.9
59.66978	0.6
59.76086	0.7
61.01154	8.0
65.03939	1.6
67.05494	3.2
69.07071	8.5
70.99580	1.4
71.29407	0.8
71.29739	0.8
72.00378	1.0
73.01144	17.6
78.98583	0.7
79.05499	9.6
80.06303	0.7
81.07061	2.0
85.01122	1.5
91.05491	2.1
95.04993	1.3
96.05743	2.3
96.91299	0.7
97.01109	1.7
97.06522	6.1
98.01929	1.1
99.02689	4.5
100.28175	0.8
101.04254	10.5
102.96797	1.2
103.97565	4.2
104.98322	14.7
111.02675	9.0
112.03469	7.3
113.04235	100.0
114.05019	2.9
115.02146	2.0
116.98296	0.7
118.99864	0.9
121.10142	1.2
125.04183	1.5
129.03708	11.6
129.89212	0.7
130.04483	5.3
130.99922	1.1
131.05275	5.4
133.01434	0.9
136.95500	5.9
137.28244	0.8
142.99858	4.4
144.00638	5.2
145.01407	6.0
147.02968	0.8
152.06306	1.6
161.00906	2.6
174.97180	1.0
185.04668	1.3
235.02853	0.8
247.05373	1.0
247.34773	0.7
263.01544	0.7
267.00043	1.1
274.11908	0.7
341.09488	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	341.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.1
55.05505	6.8
56.77097	2.2
57.03433	7.4
57.07077	2.9
58.99574	6.5
61.01140	7.3
63.14213	1.8
67.05495	7.4
69.03438	35.1
69.07069	14.2
70.06600	2.4
71.04983	2.7
71.55305	3.3
72.08145	1.9
73.01155	3.5
79.05481	8.0
81.07047	4.2
82.06569	2.4
83.04998	3.4
84.08132	3.4
85.02911	36.5
86.09715	3.0
91.05818	2.6
92.98338	33.0
93.07034	2.2
94.76042	2.1
95.01338	57.8
95.04971	12.0
95.08636	3.8
97.01122	2.9
97.06532	19.4
99.02687	5.7
100.11256	12.0
101.04248	6.9
103.03961	4.4
104.98322	3.1
109.10167	2.6
110.07143	2.5
111.02678	3.9
111.04442	4.8
112.03455	5.1
113.02340	3.3
113.04235	21.6
113.05985	4.8
116.98257	2.0
119.08584	2.4
120.08065	3.4
122.38049	2.0
123.04414	4.5
125.05997	57.5
127.03903	4.7
127.96994	3.4
128.10742	2.7
129.03696	8.0
129.10216	2.2
129.96660	3.2
129.98505	2.7
131.05176	2.0
133.01436	3.1
137.05962	5.8
141.05525	2.8
142.99837	10.3
143.07043	8.1
145.01439	2.9
153.05481	70.1
153.06726	3.6
156.13831	3.9
161.00914	2.7
163.02426	3.2
172.81374	1.9
174.96561	2.4
182.15408	4.1
184.13358	2.1
187.06049	5.4
187.07549	3.2
197.04483	2.9
209.16623	2.2
210.14862	3.5
215.05504	100.0
216.05978	2.4
222.06837	3.0
251.02299	3.7
265.08640	2.8
298.07486	3.3
341.06583	4.8
341.14261	2.8
343.30655	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90754	1.3
55.98465	1.3
56.96568	18.8
65.10719	1.4
70.73856	2.3
70.74178	2.3
71.95261	2.9
89.60081	1.4
95.75822	1.2
97.02937	1.7
98.97589	100.0
99.97935	1.4
113.55745	1.1
115.73291	1.3
116.98624	64.0
119.01932	4.0
132.96590	3.1
134.99675	27.7
140.00177	1.8
153.00749	3.4
174.97691	11.1
177.00983	6.7
190.95493	1.5
192.98753	10.3
198.97708	1.7
201.01105	2.9
208.96812	1.6
214.95656	6.3
214.99205	1.4
216.98720	37.3
219.02005	32.9
220.02101	3.2
228.72240	1.4
232.96663	14.2
234.99773	48.7
236.99767	2.0
243.02069	2.1
250.97798	8.7
256.96631	14.7
258.99771	13.0
261.00006	2.8
261.03067	11.4
263.02942	3.8
272.94464	3.1
274.97736	33.0
275.97855	2.0
277.00821	15.8
278.01019	1.7
279.01035	1.8
280.96567	2.9
292.98737	5.5
298.97714	69.3
299.97964	1.6
315.91837	2.0
316.98810	88.9
317.98859	4.5
323.90619	1.9
324.92407	3.0
326.44009	3.2
326.93875	5.1
332.91345	5.1
333.41360	2.7
333.92755	4.9
334.99869	3.0
335.94708	1.4
336.43338	4.0
340.00430	3.4
340.98871	17.3
341.91748	3.1
344.92386	1.6
358.96152	2.8
358.99869	39.8
360.00134	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	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01871	2.2
55.05509	5.0
57.07077	1.2
58.99571	2.3
60.63932	1.0
61.01146	1.3
67.05515	5.9
69.03428	1.3
69.07075	12.6
70.87102	2.2
71.05003	12.1
72.08173	1.2
73.01134	1.7
79.05485	12.4
81.07043	4.3
83.04977	2.9
83.08590	1.9
84.08142	1.3
85.06540	9.2
86.09710	100.0
89.00621	1.1
91.05477	9.6
93.07044	12.0
95.04966	3.2
97.06528	4.2
99.02692	2.3
99.08098	1.6
100.11263	7.0
101.04243	2.0
103.05476	0.9
105.07034	14.7
107.04948	4.3
107.08601	15.3
109.06522	2.8
111.02684	2.4
111.04449	6.2
112.03458	1.6
113.04234	9.0
113.57785	1.0
117.07040	6.4
119.08591	9.0
121.06508	5.8
121.10131	9.0
128.07161	1.2
128.10715	4.6
129.03723	1.8
129.07016	4.5
130.07820	1.0
131.08577	21.4
132.10222	25.4
133.01334	1.3
133.06445	0.9
135.04436	2.8
135.08095	1.8
135.11728	2.3
137.09631	2.6
142.99881	6.4
143.08562	1.4
145.02910	1.5
145.06508	2.1
145.10130	14.5
146.03242	1.3
147.08054	4.8
147.11685	2.4
149.06013	2.2
149.09628	36.6
155.08562	1.2
161.09563	1.0
163.02502	2.0
163.11205	15.2
165.09142	5.7
165.12804	2.1
167.10686	40.6
167.95670	1.0
168.10973	1.4
173.09590	4.9
177.05501	2.2
178.05901	2.4
182.15344	1.2
187.19176	0.9
191.08929	1.6
191.10678	33.3
206.15419	1.5
208.13394	1.8
209.11749	35.8
210.11964	1.1
210.14891	9.0
227.17488	3.4
238.14412	2.5
251.02205	1.2
252.15988	2.8
256.15549	1.5
258.18582	3.5
276.19608	17.0
276.72653	1.4
294.20679	9.4
304.19125	2.2
322.20108	13.9
340.21313	9.7
343.30777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.05525	17.5
55.45421	3.2
57.03439	8.6
57.07067	3.2
65.03954	4.1
67.05509	93.6
69.07069	14.5
69.59029	13.1
69.59435	4.3
71.05009	5.2
72.58894	3.1
73.01157	5.0
79.05502	48.1
81.07063	100.0
81.68105	2.8
83.05001	3.8
83.08623	7.6
84.60764	3.3
91.05493	22.8
93.07056	58.8
95.04964	4.9
95.08614	87.1
97.06532	5.1
97.10188	4.7
105.07021	18.3
107.04954	3.4
107.08596	36.5
109.10164	54.4
111.02690	5.0
111.72924	3.0
112.03490	8.6
113.04230	14.2
117.07040	9.1
119.08605	20.5
121.10148	37.8
123.08091	3.0
123.11708	16.7
131.08568	16.6
133.10130	20.1
133.99779	3.0
135.11700	34.3
137.13199	3.1
142.99887	9.6
145.02873	6.0
145.10129	23.8
147.11688	12.5
149.13289	20.5
159.11705	20.2
160.00140	6.7
161.00871	4.8
161.13237	3.8
163.14867	4.6
167.20732	3.1
173.13271	12.5
177.05504	7.4
187.14761	5.0
210.39592	3.2
212.75385	2.8
219.21086	5.2
229.19550	19.5
247.20587	86.5
265.21649	5.1
283.16849	9.4
321.24313	12.3
339.25159	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	339.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.05513	18.5
57.03430	5.2
57.07068	11.8
58.87041	2.7
62.06077	9.2
65.03919	4.8
67.05511	84.5
69.07066	13.7
69.97849	3.4
70.04938	8.6
70.05314	5.8
70.06591	4.7
71.08620	7.2
79.05493	53.4
81.07063	79.5
83.08609	8.7
83.43562	2.7
85.06483	5.0
90.44783	2.9
91.05482	28.8
93.07049	66.8
95.04954	4.0
95.08610	81.1
97.06528	4.4
97.10195	3.2
99.08073	4.7
105.07026	27.4
107.08607	44.3
109.10159	46.1
111.02660	4.2
113.04214	3.4
117.07013	10.3
119.08573	21.6
121.10149	47.0
123.11705	18.3
131.08580	20.8
133.10158	16.0
135.11713	33.7
137.13240	6.6
142.99828	3.1
145.02846	4.0
145.10101	22.3
147.11681	17.4
149.02356	9.0
149.13261	17.8
159.11711	24.3
160.36963	2.5
161.13248	6.1
163.14804	8.1
170.00160	3.4
173.13290	16.8
177.05440	6.7
187.14790	5.2
193.04926	11.8
219.21147	7.5
224.65721	4.9
224.95125	4.7
229.19577	25.9
247.20580	100.0
256.26193	4.9
265.21655	4.8
321.24142	4.9
322.27383	5.7
339.18979	4.2
339.24902	10.0
339.27820	12.7
339.77908	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	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03943	1.3
55.01859	0.7
56.05038	4.2
57.03435	1.0
58.06601	0.9
60.04244	0.4
60.04525	1.6
64.38845	0.5
67.05501	0.6
69.03432	7.1
69.07080	2.8
70.06606	2.9
71.04974	0.5
71.54739	0.5
72.08143	1.8
74.06081	8.1
81.03432	7.6
81.07028	0.7
81.74599	0.5
83.06107	2.3
84.04517	3.4
84.08150	14.3
85.02903	3.6
85.04037	0.6
85.08497	0.6
86.09710	17.1
87.05667	0.4
87.10046	0.8
89.03917	5.6
91.05498	1.1
96.08060	0.6
97.02898	3.4
99.04452	1.1
101.07145	5.1
101.10783	1.1
102.05506	0.8
103.05437	0.7
109.02879	3.7
110.07131	1.1
115.05074	0.5
117.03386	21.5
124.11289	0.8
126.12743	0.5
127.03908	2.0
129.09335	1.1
129.10245	8.1
130.04967	1.4
130.08633	4.1
131.04604	0.7
132.04550	0.6
132.08093	1.1
134.03603	1.2
135.04495	1.0
137.05995	0.9
142.12270	2.7
143.11803	1.1
145.02856	54.4
147.11288	3.4
149.05980	7.6
155.88031	0.5
159.09221	0.6
160.07593	3.0
163.03893	1.1
169.13409	0.7
171.11232	0.5
177.05482	100.0
178.05861	0.9
183.11214	0.6
187.14423	16.5
188.14764	1.2
195.06554	2.1
196.14459	1.6
199.10941	0.6
201.12358	0.8
209.00456	0.5
215.13948	1.5
216.13434	1.0
224.14026	0.9
229.12071	1.0
234.14478	8.0
235.14838	0.6
321.09637	11.0
339.10815	3.9
339.15091	0.9
349.17209	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.23564	0.7
53.03929	1.9
55.01873	1.7
57.03431	3.6
58.99577	1.1
61.01152	8.8
67.05495	1.0
69.03434	10.3
70.06599	1.1
71.01336	0.9
71.04974	1.0
71.56129	0.9
72.00359	1.1
73.01143	7.9
79.05494	1.3
81.03426	3.7
81.07064	1.3
84.08157	1.1
85.02904	6.1
86.09705	1.3
89.00625	14.7
89.03915	7.4
91.05481	1.3
93.07049	0.8
95.01347	4.4
95.04978	1.0
95.26270	0.6
97.02895	18.4
99.04469	2.1
101.00610	2.2
103.05484	1.2
104.98310	1.8
109.02870	3.3
109.06518	1.2
111.02694	0.7
111.99561	3.0
112.03446	1.5
113.00364	1.1
113.04241	11.1
117.03387	25.6
119.04916	1.0
123.04420	1.0
124.01431	0.7
125.05896	0.7
127.03938	5.4
129.01836	0.7
130.04478	2.3
131.01530	0.8
131.04761	0.7
134.03625	1.9
135.04420	1.5
137.05966	3.9
141.01836	3.1
145.01599	1.7
145.02853	53.3
146.03114	0.6
149.05977	8.1
149.44324	0.6
151.03891	0.8
153.05490	1.0
157.77473	0.7
159.02893	0.8
163.02463	1.1
163.03900	1.0
165.05449	1.3
174.98608	1.1
177.04066	5.1
177.05475	100.0
186.88170	0.7
189.05550	1.5
195.06532	4.4
201.07587	2.4
208.08910	0.8
215.07140	1.0
267.68713	0.8
321.09723	4.4
339.06790	1.1
339.10684	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	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23564	0.7
53.03929	1.9
55.01873	1.7
57.03431	3.6
58.99577	1.1
61.01152	8.8
67.05495	1.0
69.03434	10.3
70.06599	1.1
71.01336	0.9
71.04974	1.0
71.56129	0.9
72.00359	1.1
73.01143	7.9
79.05494	1.3
81.03426	3.7
81.07064	1.3
84.08157	1.1
85.02904	6.1
86.09705	1.3
89.00625	14.7
89.03915	7.4
91.05481	1.3
93.07049	0.8
95.01347	4.4
95.04978	1.0
95.26270	0.6
97.02895	18.4
99.04469	2.1
101.00610	2.2
103.05484	1.2
104.98310	1.8
109.02870	3.3
109.06518	1.2
111.02694	0.7
111.99561	3.0
112.03446	1.5
113.00364	1.1
113.04241	11.1
117.03387	25.6
119.04916	1.0
123.04420	1.0
124.01431	0.7
125.05896	0.7
127.03938	5.4
129.01836	0.7
130.04478	2.3
131.01530	0.8
131.04761	0.7
134.03625	1.9
135.04420	1.5
137.05966	3.9
141.01836	3.1
145.01599	1.7
145.02853	53.3
146.03114	0.6
149.05977	8.1
149.44324	0.6
151.03891	0.8
153.05490	1.0
157.77473	0.7
159.02893	0.8
163.02463	1.1
163.03900	1.0
165.05449	1.3
174.98608	1.1
177.04066	5.1
177.05475	100.0
186.88170	0.7
189.05550	1.5
195.06532	4.4
201.07587	2.4
208.08910	0.8
215.07140	1.0
267.68713	0.8
321.09723	4.4
339.06790	1.1
339.10684	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	339.057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01865	5.4
55.05484	3.7
57.03433	11.0
57.93467	2.2
58.99586	7.5
59.96716	4.2
61.01156	64.4
66.36228	2.3
67.05491	6.0
69.03438	17.0
69.07064	5.2
69.50071	12.4
70.06597	16.8
70.99581	5.4
72.00344	7.5
72.08159	4.8
73.01147	54.8
75.02720	3.2
79.05489	8.6
79.30294	2.1
81.03423	7.4
81.07043	6.2
83.01348	3.2
83.04984	2.4
84.04514	3.1
84.08140	6.5
85.02898	17.9
85.06496	2.4
86.09705	8.8
89.00625	100.0
89.03889	2.4
90.01424	3.3
91.05479	5.6
93.07026	4.3
95.01328	37.5
95.04977	4.7
95.08603	2.7
97.01203	2.3
97.02892	10.8
97.06563	4.1
99.02654	5.8
99.04471	3.0
101.00605	14.9
101.02230	2.4
103.05480	5.4
104.98315	11.6
105.06996	5.5
106.97919	4.1
107.01639	5.1
109.02915	14.2
109.10178	2.9
111.00814	2.9
111.02673	4.5
111.04482	3.3
111.99584	15.5
112.03434	9.1
113.00352	7.6
113.02384	5.5
113.04242	68.3
114.05048	3.6
115.02145	2.7
116.07117	6.8
116.19392	2.4
117.03376	9.3
118.06883	2.2
119.04911	4.0
120.06510	2.6
120.08126	6.0
121.06499	2.4
121.10156	2.1
122.06016	4.3
123.04410	2.8
124.73112	2.2
124.98914	11.0
125.05991	7.9
127.03906	17.1
129.01837	4.2
129.03712	5.9
129.10210	2.6
130.04475	22.3
131.01593	6.8
132.95717	2.3
133.06503	2.6
136.07494	2.9
137.05995	22.7
139.23790	2.1
141.01819	19.5
141.05486	3.0
145.01508	13.1
145.02817	20.8
147.04495	2.3
149.05989	3.5
151.03908	7.5
153.05461	13.4
155.04893	2.8
158.97409	5.1
159.02878	5.2
160.09445	2.2
163.02432	7.7
164.07082	4.0
165.05490	13.3
173.06155	2.3
174.98589	2.8
177.03935	28.6
177.05484	42.8
181.09714	2.6
183.06503	5.1
185.02635	8.0
189.05481	8.8
194.20749	2.3
195.01131	4.5
200.09062	2.7
201.07608	8.9
215.07072	4.7
233.04781	2.5
234.98999	12.9
249.00378	3.3
321.04660	2.6
321.09720	2.6
339.05331	11.6
339.11951	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	339.057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
57.03437	2.9
58.91250	1.5
58.99578	1.8
61.01155	36.8
67.05499	1.8
69.03439	11.3
69.07077	3.6
69.95354	3.8
69.95745	3.4
70.06585	1.8
70.99591	3.3
71.01351	1.5
72.00358	3.8
73.01150	31.6
73.01537	3.4
75.02705	2.4
79.05495	3.7
81.03432	6.2
81.07084	2.0
85.01139	3.7
85.02896	10.9
89.00623	59.0
89.03928	6.4
91.05465	1.8
95.01334	20.7
95.04951	2.2
97.02893	19.6
99.02664	2.6
101.00610	8.5
103.05522	1.9
104.98320	6.4
107.01681	3.1
109.02892	6.6
111.02706	3.7
111.99593	6.0
112.03449	6.1
113.00420	2.2
113.02378	2.3
113.04240	38.5
114.05009	3.1
117.03390	23.1
127.03899	10.8
129.01848	3.3
130.04507	7.1
134.03658	1.8
135.04454	2.1
137.05989	6.6
141.01816	16.2
145.01469	7.5
145.02850	53.3
149.06010	8.7
153.05550	3.6
159.03014	2.0
163.02493	3.1
163.03827	1.8
165.05513	6.2
177.03969	17.0
177.05458	100.0
183.06586	2.7
185.02682	3.5
186.05565	1.7
189.05571	1.8
195.06552	4.1
201.07622	6.3
213.65323	1.8
230.34149	1.6
233.04843	1.8
259.65060	1.5
321.04736	2.8
321.09833	4.7
339.05789	3.2
339.10880	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	339.057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01868	2.0
57.03446	12.8
58.99581	4.6
59.20733	1.2
59.96731	2.8
61.01158	63.5
67.05491	3.4
68.99792	1.9
69.03436	9.5
69.07063	4.5
69.72124	8.9
70.06585	4.8
70.99575	4.7
72.00368	7.8
72.08163	1.8
73.01148	51.1
75.02697	3.6
79.05508	8.2
80.50101	1.2
81.03422	6.8
81.07039	6.2
83.01353	2.0
83.04981	1.9
84.04488	3.9
84.08132	3.1
85.01134	2.7
85.02917	9.9
86.09714	4.3
89.00626	100.0
91.05470	5.6
93.07036	3.0
95.01337	31.9
95.04971	5.0
97.01138	2.7
97.02882	5.2
99.02683	5.8
101.00617	14.8
101.02394	2.0
101.04241	3.1
103.05486	3.2
104.98322	11.0
105.07035	2.1
106.98606	1.6
107.01651	4.2
109.02880	12.8
109.06522	2.7
109.52348	1.2
111.02662	7.6
111.04423	1.8
112.03431	11.5
113.02377	4.7
113.04240	74.1
114.05009	2.6
115.02124	2.2
116.98289	2.2
117.03360	4.8
119.04985	3.0
120.08127	3.0
121.02847	1.5
122.03617	1.8
122.05985	1.7
122.99283	1.8
123.04449	2.7
124.72706	1.3
125.02308	1.7
125.05989	2.9
127.03918	16.5
129.01814	4.8
129.03711	5.2
129.10304	1.6
130.04445	15.4
131.01624	5.3
131.05002	3.6
133.06474	2.2
135.04480	2.2
137.05989	21.1
139.02151	1.4
141.01834	23.3
141.05440	2.0
145.01447	12.4
145.02802	9.6
145.06108	2.8
147.04343	1.8
149.06036	1.7
151.03952	5.0
153.03697	1.8
153.05481	4.4
159.01114	2.5
159.02924	5.2
161.06027	2.4
163.02463	6.0
163.03847	3.3
163.07616	1.5
164.07022	1.5
165.05482	10.7
177.03946	34.2
177.05490	19.0
183.06573	5.3
185.02719	3.7
188.28262	1.4
189.05495	8.0
191.03415	5.8
201.07605	15.3
210.01288	2.2
215.03760	1.9
215.07059	2.9
219.02899	13.6
285.75610	1.5
321.04745	3.4
321.09622	2.7
339.05487	4.9
339.12012	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.4
57.32857	2.1
59.44016	2.0
69.03435	28.3
70.06579	6.4
70.84492	3.9
72.08163	2.7
73.01136	10.7
74.06110	2.7
79.05521	3.1
81.03407	5.8
84.08137	8.7
85.02916	20.8
86.09743	10.6
89.00644	2.4
89.03915	7.5
95.01334	27.5
95.04961	2.8
97.02896	18.6
97.06531	3.4
106.99932	2.2
107.04910	2.0
109.02843	3.0
113.04227	2.3
117.03381	20.9
120.08138	2.3
125.00924	38.5
125.05997	25.8
127.03928	3.2
129.10248	7.4
137.06050	9.2
145.02864	51.7
149.06015	10.2
151.03900	4.8
153.05475	25.4
167.10753	2.1
177.05487	100.0
178.05006	4.1
189.05450	3.1
195.06450	4.6
210.68535	1.9
215.05463	17.7
215.07112	2.2
289.81552	2.4
321.09912	3.4
339.10791	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	339.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38910	3.2
55.05502	5.0
56.83482	3.8
57.03439	11.5
58.86242	3.5
61.01140	10.5
67.05507	6.6
69.03436	69.1
69.07034	3.8
69.68502	14.0
69.68910	5.6
70.06586	8.3
70.94038	3.3
71.04999	4.1
72.08163	5.1
73.01151	31.3
79.05479	12.7
81.03391	3.6
81.07063	5.7
83.01345	4.0
83.04984	5.7
83.08662	4.6
84.08143	4.9
85.02918	52.5
86.09700	4.9
89.00625	9.5
90.01362	3.9
95.00768	5.0
95.01342	91.6
95.04976	5.6
97.02887	15.1
97.06536	13.2
98.21509	4.7
103.05470	10.1
104.98332	5.2
105.03326	3.6
109.02921	4.0
109.84698	3.7
111.04454	3.4
113.02377	6.6
113.04279	3.8
115.03944	4.9
117.03379	13.7
120.08044	5.0
122.03628	6.3
124.13391	3.3
124.98930	3.7
125.00930	100.0
125.06007	70.4
125.06875	7.3
127.03925	12.5
131.04916	7.4
133.06442	6.3
137.05980	54.3
141.01817	4.7
141.05392	5.6
143.04994	3.5
143.07155	3.4
145.02859	24.4
149.06035	4.3
151.03944	18.4
151.04967	4.6
153.05476	75.2
157.05023	3.7
163.02473	3.7
171.06535	5.3
177.04042	5.7
177.05466	57.0
187.06076	3.7
189.05472	24.7
207.06480	3.6
213.03853	7.0
215.05473	44.6
215.07149	4.0
339.11880	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	338.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18541	2.1
52.27667	2.7
54.34481	2.3
54.41870	2.3
55.05511	3.4
56.05035	3.4
56.94855	2.1
58.06596	2.6
70.06586	14.4
71.55228	2.4
72.08156	21.7
74.06075	7.4
76.34422	2.6
76.60735	1.9
77.43987	2.1
78.81650	2.0
82.11951	2.1
83.06113	2.2
84.04496	10.0
84.08138	10.5
85.02916	4.0
86.09702	7.1
88.03993	2.5
91.05481	3.7
101.07140	3.1
102.05505	3.5
103.05450	3.0
110.07159	2.3
116.07050	2.9
120.08112	100.0
129.10257	17.6
130.05013	3.4
130.06573	2.7
136.07579	9.4
157.09694	4.7
166.08682	2.8
173.09230	4.1
176.07077	4.5
176.10724	2.9
177.05464	3.4
182.08089	5.2
191.11780	16.3
219.11385	5.2
221.12776	10.1
231.23558	2.2
235.10725	13.3
249.12375	4.6
257.24756	2.0
338.11145	63.3
338.18091	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	338.269
Annotation	Melophlin I
Peak:m/z	Relative Intensity
51.52895	2.0
52.10612	2.3
55.01878	4.3
55.05518	10.9
57.07067	3.0
58.53059	1.9
62.06094	100.0
64.51409	2.4
67.05505	20.0
69.07066	11.4
71.08635	17.2
71.54871	2.9
79.05493	14.9
81.07059	18.4
83.08647	3.9
91.05477	8.8
93.07060	14.6
95.04961	1.9
95.08607	11.2
97.06532	5.3
97.33244	2.0
99.08102	9.5
105.07034	8.1
107.08614	9.1
109.10171	8.1
113.04251	3.8
119.08594	4.9
121.10148	5.3
133.10129	5.9
135.11684	6.6
151.11124	2.4
159.11700	3.5
161.13258	4.4
165.12753	3.0
179.14357	6.5
196.13338	2.5
214.14435	4.5
222.18570	10.8
240.19647	16.7
259.20782	3.6
277.21756	4.6
320.25833	78.5
321.24173	4.9
338.13583	2.5
338.27011	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	338.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	29.2
54.79010	2.5
55.01883	3.2
55.05505	3.8
56.05035	7.7
56.96567	21.9
58.06588	3.2
60.04519	3.8
60.05646	5.7
61.02930	27.7
61.88052	2.5
69.03432	4.0
69.07043	2.9
70.06595	34.6
70.17307	11.0
71.01360	6.5
72.04508	8.1
72.08173	21.0
74.06096	4.8
75.04482	30.1
82.02962	4.4
84.04519	10.0
84.08137	18.9
85.02924	13.8
86.09718	19.4
87.26428	2.5
88.03982	4.7
90.42315	2.6
97.02926	5.2
98.97607	7.1
100.03986	100.0
102.05540	3.8
103.03949	15.5
103.21551	3.0
110.07162	9.8
116.07082	4.7
116.98623	5.9
119.04939	3.0
120.08123	9.8
121.05008	23.4
127.03920	3.0
128.03455	6.0
128.93080	2.4
128.98627	4.0
129.10258	10.5
130.05038	3.6
131.03456	6.7
132.85966	2.6
136.07587	16.1
143.11801	9.8
145.04959	18.4
146.99698	4.1
156.07745	3.8
159.11342	2.9
170.04526	2.8
175.11951	7.3
177.05446	3.9
183.03372	3.2
184.06071	44.7
184.07597	4.3
190.12054	2.7
191.03903	3.0
202.07106	31.4
219.01833	5.2
222.04407	18.1
225.09735	4.5
230.06587	29.2
237.02834	4.5
240.05452	20.0
248.07675	75.2
249.54613	2.9
253.62764	2.7
263.05884	3.8
320.04556	4.9
338.18317	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	337.9703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	1.5
56.25567	1.2
56.96296	1.4
56.96570	27.5
69.03400	1.1
69.47603	1.0
71.53696	2.0
71.95263	6.0
97.02888	3.8
98.97592	89.8
101.00874	3.2
113.03506	3.6
116.98635	84.4
117.98956	1.4
119.01929	23.6
120.01999	3.7
121.01667	4.5
134.99670	58.9
137.02968	9.5
138.03107	2.4
139.02682	3.5
140.00220	2.7
142.03499	6.9
144.03250	1.6
149.01340	1.7
153.00723	7.9
158.01241	1.8
160.04562	3.0
161.04715	1.4
172.94324	1.6
174.97633	7.5
177.00969	7.1
178.01094	3.5
179.00751	7.0
187.95161	1.3
190.95329	1.4
192.98744	6.6
194.89494	1.7
194.91232	3.5
195.11363	1.2
196.71927	1.3
198.97699	2.8
203.02484	1.3
210.89005	1.6
212.92242	11.6
216.98734	65.0
218.91280	2.0
219.02095	6.0
221.01726	3.0
228.90056	4.0
230.89783	3.0
230.93370	19.4
232.93170	1.3
234.99776	96.4
235.99892	2.0
236.92307	3.4
246.91083	3.9
248.94409	7.7
249.01421	1.4
253.00809	3.3
254.93353	27.1
256.96573	9.9
257.96765	5.6
258.01447	3.5
258.96417	11.8
258.99731	7.1
259.96561	2.9
259.99783	1.4
260.96161	1.2
261.00024	2.5
261.03030	9.4
262.03159	2.2
263.02905	4.9
263.93057	1.6
270.91089	5.8
272.91086	4.2
272.94394	100.0
273.94577	4.2
274.94696	2.7
274.97565	15.8
275.94180	2.6
275.97723	3.3
276.97495	3.9
277.00845	9.6
278.93436	2.0
284.00223	1.9
284.94540	1.9
284.99814	3.8
286.00122	1.7
286.99643	1.2
288.92181	16.7
290.91910	13.6
290.95447	46.2
291.95517	1.8
292.95520	2.8
292.98666	4.7
295.96045	6.5
296.91269	1.9
296.94403	14.0
301.01004	1.4
302.01114	1.4
302.45700	1.6
302.96014	1.4
303.00839	4.4
303.45398	2.3
303.58594	1.3
304.01062	2.2
304.92325	2.4
305.00897	2.2
305.58536	2.9
306.93207	3.8
308.92944	3.8
310.92383	5.0
311.26025	1.5
311.46036	3.9
311.58966	2.6
311.96045	32.2
312.46030	17.6
312.92456	1.9
312.95746	8.1
314.95450	75.9
315.95636	3.4
316.95392	1.8
318.96744	2.3
320.96649	8.9
321.46390	3.0
323.46957	6.9
323.90701	4.5
325.26059	1.9
331.89822	2.2
332.91409	11.1
332.96539	7.5
333.41223	4.6
333.91217	3.7
334.97260	1.9
337.97189	3.9
341.40280	1.9
341.91653	4.7
344.41843	2.4
350.92133	1.6
351.39059	1.9
355.93607	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.23611	0.8
51.49714	0.7
53.03946	1.5
55.01872	1.3
55.05519	31.7
56.87274	0.7
57.03444	21.0
57.07081	5.2
65.03947	2.1
67.05513	71.9
69.07079	37.3
69.98962	3.5
71.04994	2.1
71.08633	2.9
79.05064	1.3
79.05500	20.1
80.11761	0.7
81.07066	73.5
82.07405	1.0
83.04988	1.9
83.08138	1.3
83.08631	21.0
85.06545	2.2
85.10198	0.9
91.04965	0.9
91.05496	10.5
92.93444	0.7
93.07054	16.3
95.04974	1.8
95.08617	59.5
97.06543	4.5
97.10181	10.8
99.08092	1.5
105.07043	8.3
107.08612	9.5
109.10170	25.6
111.08082	2.4
111.11755	3.0
119.08588	6.8
121.10156	9.3
123.08101	0.9
123.11727	9.2
125.09637	1.8
129.90797	0.6
133.10147	8.6
135.11719	5.1
137.13272	4.0
147.11711	4.6
148.67888	0.7
149.13266	3.1
151.14848	1.6
161.13301	2.8
163.14815	2.7
167.99922	0.8
175.14825	2.5
177.16432	0.9
189.16364	0.8
203.28255	0.8
245.22566	4.2
263.23755	5.6
337.27399	100.0
338.27756	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.00301	0.4
53.03952	2.2
55.01873	1.7
55.05515	38.2
57.03442	26.2
57.07078	5.8
65.03951	3.6
67.05510	83.7
67.45486	0.4
68.05845	1.1
69.03399	0.4
69.07073	52.2
70.00578	0.4
71.04994	2.0
71.08639	2.7
73.36135	0.4
77.03912	0.4
79.05500	22.2
81.07063	81.2
83.04981	2.7
83.08625	22.8
85.06561	1.5
85.10186	1.0
85.15347	0.3
91.05488	14.5
93.07049	21.0
94.04113	0.4
95.04996	1.3
95.08614	60.3
96.08948	0.7
97.06545	5.1
97.09543	0.6
97.10178	11.2
97.93624	0.3
98.20743	1.3
99.08112	1.6
105.04512	0.4
105.07041	7.9
107.08607	10.8
109.06530	1.3
109.10162	19.9
111.08087	2.2
111.11716	2.0
113.09676	1.1
117.06989	0.4
119.08588	7.4
121.10158	7.5
123.08086	1.1
123.11714	9.6
125.09628	1.2
131.08609	0.6
133.10141	6.3
135.11707	4.2
137.09628	1.0
137.13271	4.4
139.11198	1.1
144.19604	0.3
147.11710	5.5
149.13246	3.4
151.11201	1.0
151.14864	1.4
153.12781	0.8
158.05937	0.4
159.11783	0.4
161.13261	4.3
163.14851	2.6
165.12831	0.5
165.16461	0.9
175.14868	2.7
177.16383	0.9
179.14308	0.4
189.16437	1.0
193.15988	0.4
203.17931	0.7
207.17424	0.5
221.22559	0.4
228.92371	0.4
245.22800	2.0
263.23709	3.9
337.27383	100.0
338.27734	3.0
356.32611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06937	0.5
51.20819	0.4
60.04534	0.6
61.92551	0.5
69.03429	1.1
70.02942	0.9
70.06597	3.1
71.55009	0.6
72.08150	2.1
74.06065	0.6
79.05485	0.5
84.04478	0.7
84.08161	2.2
85.02901	1.4
86.09707	1.4
91.05482	0.7
92.05025	0.7
95.01347	0.6
97.02892	1.0
98.97646	0.4
103.05495	0.5
110.07194	0.7
113.03374	0.5
120.08124	2.3
127.03923	0.6
127.05028	1.2
129.10266	1.1
130.05016	0.9
130.56483	0.4
133.07622	16.7
136.07573	1.5
149.07166	0.8
153.05446	0.7
155.04561	1.1
161.07120	100.0
162.07880	3.2
165.04826	0.6
168.56441	0.5
172.07300	1.3
175.08693	1.3
186.06021	0.4
189.06636	1.1
193.04320	4.2
203.08215	1.7
216.97932	0.5
217.02042	0.7
217.09743	0.5
231.07666	1.3
234.98952	0.8
247.06578	0.9
249.08716	0.6
273.08704	1.6
274.11975	0.8
277.00012	0.8
277.08276	0.8
291.09891	1.7
309.11096	0.6
319.09244	1.3
319.12836	0.8
337.10321	41.5
338.10608	0.7
350.10840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.71110	2.2
56.70752	2.4
65.44751	2.4
66.78941	2.3
69.23597	11.3
69.24017	13.7
73.14214	2.2
75.23416	2.3
83.81268	2.1
85.54039	2.4
98.21516	4.8
101.00892	5.3
113.00877	2.6
119.01975	6.4
127.02415	2.8
131.01912	9.2
133.03506	3.3
139.39027	2.3
145.03467	13.6
155.01930	7.0
156.03996	2.3
157.03499	7.7
163.75905	2.8
171.01398	2.8
173.02994	8.5
189.02545	3.4
203.21451	2.4
217.01944	20.1
229.01999	7.9
235.03040	5.9
242.55939	2.8
247.03058	5.5
293.33487	2.6
337.04926	5.2
337.09006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84305	3.0
55.26270	2.8
56.41444	3.1
56.96569	24.9
64.51800	3.4
69.56490	23.7
70.06588	6.3
70.83343	3.9
97.02931	3.7
98.21569	5.7
98.97593	8.8
100.99160	3.9
101.00897	24.2
103.02449	12.6
113.00884	6.2
115.02447	3.8
116.98649	4.2
119.01938	38.2
121.01696	4.0
121.03507	5.4
127.02431	15.0
128.98589	4.8
131.01936	37.8
133.03484	7.1
137.92932	4.1
143.01950	7.2
145.03474	66.9
149.02960	7.8
155.01917	33.7
157.03465	39.4
158.99661	3.6
159.05025	5.5
161.03001	5.2
161.07140	3.5
162.97418	6.9
163.04572	8.5
165.00664	8.4
167.01874	4.4
171.01434	12.6
173.02986	57.7
175.03024	4.6
175.04576	14.6
180.98535	3.8
183.01416	4.5
185.03001	9.1
189.02451	9.3
191.04025	3.9
193.00258	5.0
193.01880	4.3
196.04565	4.4
199.00960	3.9
201.02420	7.1
203.04063	4.3
208.97913	8.2
208.99785	5.2
217.01952	100.0
221.05234	4.0
226.99030	13.3
229.01962	37.3
235.03043	38.4
247.02985	20.7
264.38577	3.9
291.00729	3.9
291.03854	3.8
319.03162	4.1
337.09061	88.1
337.17285	7.0
337.95337	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	7.1
70.06572	4.0
70.46576	5.3
80.42446	1.6
82.99833	1.9
85.01393	3.6
98.97577	5.6
101.00883	18.4
103.02455	12.0
105.00365	2.7
112.09773	2.1
113.00911	10.2
116.98618	3.0
119.01929	20.6
121.03507	3.2
127.02412	16.0
128.98578	2.6
131.00235	1.7
131.01047	2.2
131.01933	36.9
133.03471	3.0
137.02959	2.0
139.02412	4.7
143.01892	4.1
145.03477	58.7
146.03514	2.5
146.99600	3.2
147.01404	3.8
149.02956	3.9
155.01921	30.5
156.98099	3.5
157.03471	31.9
159.05113	1.9
161.02971	3.3
161.07132	1.8
163.04541	6.4
165.00627	3.0
167.01945	3.5
171.01401	11.0
173.02979	44.7
173.04500	2.1
174.99164	9.8
175.00594	3.0
175.04498	7.9
183.01462	3.9
185.02998	8.3
185.04384	2.0
187.04607	2.4
189.02429	16.0
193.00195	7.8
193.01855	3.0
197.02979	1.6
199.00993	7.9
201.02420	5.4
203.04001	3.9
209.45197	1.7
211.00861	2.5
217.00214	5.8
217.01967	100.0
218.02090	3.3
221.05089	3.9
223.04797	1.6
224.24890	1.6
229.01965	37.6
235.03067	28.2
239.06117	1.8
241.02098	2.1
247.03117	19.4
253.04073	3.0
258.04697	1.8
265.04028	2.7
275.05948	2.6
277.04129	2.7
295.08676	2.5
312.72501	1.7
319.05008	2.3
337.05563	4.3
337.09195	28.1
337.17044	1.8
343.04843	1.8
352.64706	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	337.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	62.2
69.83214	2.6
69.83622	5.4
70.98129	24.5
71.95259	4.8
72.08141	1.3
74.97607	1.6
84.08143	1.9
84.96032	8.2
85.03738	1.4
88.99156	10.7
98.21442	2.9
98.97589	100.0
102.97049	1.4
107.00189	1.8
110.97585	27.9
111.36036	1.4
112.99142	10.0
115.00688	3.3
116.98631	35.9
119.02843	1.4
124.95500	7.5
124.99138	1.7
128.98613	33.5
131.00177	8.3
133.01740	7.2
134.99675	7.9
140.98602	6.4
142.96532	9.4
143.00179	6.5
144.98109	3.7
145.01701	1.7
145.88382	1.5
146.99663	30.2
149.01314	1.9
151.02827	2.9
152.94955	3.0
152.98586	6.9
153.00742	1.5
156.98119	3.9
157.01822	1.5
158.99673	17.0
161.01228	4.2
165.00729	12.1
170.96048	14.2
170.99696	7.3
172.97592	1.9
173.01244	1.9
174.99139	10.1
175.02808	5.1
177.00725	10.1
184.97607	7.3
186.99135	2.5
188.97096	26.0
188.98746	2.2
188.99078	1.7
189.00716	17.2
190.98608	3.0
193.00226	6.6
193.03822	1.9
201.00690	5.3
202.98607	12.2
205.00130	7.0
206.06917	2.1
206.98177	11.3
207.01726	9.3
212.97122	4.8
217.00299	7.0
217.03857	4.2
219.01779	34.2
220.99718	5.7
223.01256	3.6
230.98154	20.7
232.99808	2.4
235.01254	5.8
237.02820	35.8
244.99709	18.8
247.01395	3.3
248.99185	9.8
249.02843	3.6
255.03964	2.2
263.00760	39.2
267.03732	1.9
277.02344	17.9
277.05960	26.0
281.01752	6.1
286.02301	1.9
295.03528	4.6
295.06982	71.8
305.01770	3.6
337.04453	2.5
337.08176	24.2
355.06750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
58.99597	13.0
61.01155	4.4
65.03939	7.3
67.05500	3.6
69.03423	3.8
69.07076	4.3
69.24805	2.0
70.06587	8.7
71.19662	3.4
72.08150	5.1
73.01149	9.8
73.82734	1.8
79.05496	5.2
79.16909	2.0
81.07059	7.2
83.08623	2.1
84.08157	6.4
85.01128	5.6
86.09694	3.7
89.04265	2.7
91.05483	7.1
93.07071	11.6
95.04971	3.6
95.08607	4.0
97.01118	2.5
97.06547	3.4
99.02698	4.9
101.00615	7.7
101.04213	4.8
104.98331	15.2
105.07049	13.9
106.07806	6.2
107.05001	2.4
107.08608	12.3
109.06489	2.8
109.10213	2.8
111.02658	8.4
112.03418	3.6
113.04225	9.7
116.98218	2.5
119.08620	2.3
121.06516	8.3
123.08069	10.8
125.04217	14.9
127.02148	97.5
128.02942	20.6
129.03694	3.0
129.10220	4.1
134.01836	4.1
135.08083	7.0
136.08838	61.3
137.04208	18.4
138.04973	17.3
139.05774	69.2
140.02950	3.6
140.06572	23.3
143.01636	4.8
145.01440	5.2
147.02960	7.2
147.35188	2.0
149.04210	19.6
155.03375	2.5
165.03627	3.8
166.04533	2.9
167.05281	68.8
168.06078	18.1
169.06868	22.0
171.02982	45.2
181.01447	2.4
199.02481	100.0
200.03270	25.2
271.56274	2.2
273.04279	5.9
303.71124	2.2
337.04385	12.2
337.11078	4.4
337.19803	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	337.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06812	2.4
55.01879	2.8
55.05508	3.5
58.99585	9.8
61.01153	5.7
61.85560	2.2
65.03939	9.0
67.05508	6.8
69.03447	3.5
69.07061	4.3
70.06585	10.1
71.04965	3.2
71.55283	3.6
72.08175	4.6
73.01139	8.7
79.05520	6.8
81.07048	6.9
83.08617	2.6
84.08134	7.4
85.01138	6.4
86.09715	5.7
89.04255	2.6
91.05485	8.1
93.07044	11.1
95.01263	2.4
95.04963	4.7
95.08626	7.7
96.05772	2.2
96.63664	2.8
97.01076	2.6
99.02693	2.7
104.98324	13.5
105.07043	17.4
106.07825	6.6
107.04967	5.5
107.08594	14.9
111.02684	11.1
111.08084	5.2
113.04243	6.8
119.08584	3.1
121.02866	10.6
121.06505	7.2
121.10056	2.1
123.08079	7.9
125.04213	13.0
127.01202	3.8
127.02151	79.3
128.02954	17.1
129.10214	5.6
133.10213	3.0
134.01868	4.8
135.04433	3.6
135.08076	9.0
136.05215	5.9
136.08849	58.2
137.04236	16.3
138.04993	12.6
139.05777	56.4
140.02948	3.2
140.06578	22.0
143.01640	2.8
147.03000	6.1
148.05130	2.4
149.04181	12.6
151.03900	9.6
152.04713	3.0
157.01436	2.6
163.03917	3.5
165.03671	3.9
166.04488	3.3
167.05280	58.9
168.06052	11.2
169.03110	2.9
169.06848	17.0
171.02989	44.5
181.03209	4.4
199.02483	100.0
199.04283	22.0
200.03267	22.0
217.05318	3.1
222.00935	2.7
263.02469	3.0
273.04376	6.5
298.02844	2.7
337.04138	12.4
337.10696	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	337.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	6.4
57.03432	11.5
61.01140	17.7
69.03429	50.6
69.07059	6.6
70.06602	52.9
70.10896	22.1
72.08148	20.4
73.01134	5.3
79.05482	7.4
84.08135	27.5
85.02911	54.5
86.09702	33.5
88.03983	10.1
88.54169	6.0
89.00618	6.1
90.01398	42.3
94.33312	5.4
95.01338	80.6
95.04955	7.3
97.06514	11.2
104.52844	5.6
104.98314	42.5
110.07126	5.9
113.02377	7.1
113.47256	4.8
120.08102	20.2
122.98505	8.5
122.99358	100.0
123.04365	6.4
125.05991	59.4
129.10236	15.2
137.06024	6.8
138.38875	6.0
153.05470	70.8
154.85925	5.1
194.83264	5.5
197.04420	8.6
201.12323	5.3
211.11948	6.6
215.05544	59.6
305.08224	5.8
337.10715	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	337.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68365	5.1
61.01147	20.3
61.70768	4.8
69.03432	26.2
70.06593	32.3
71.00827	6.2
83.01302	4.2
84.08153	16.5
85.02898	28.0
86.09707	10.7
89.00600	9.5
90.01398	39.1
90.37608	4.2
92.16679	4.6
95.01337	41.9
96.11198	4.3
97.06503	4.9
104.98302	34.5
106.02921	4.0
118.06805	6.7
122.98512	7.4
122.99362	100.0
125.05994	37.6
127.08638	4.5
129.10242	9.9
153.05460	36.7
205.37669	4.7
215.05550	27.3
322.99850	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	337.041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.5
55.05510	5.2
57.15694	2.6
58.20382	2.3
61.01147	8.3
69.03433	28.8
69.07065	4.6
69.82571	13.2
70.06598	14.2
72.00378	2.9
72.08144	9.8
73.01127	10.1
74.36005	2.7
77.07492	2.4
79.05486	5.2
81.07058	4.2
83.04993	3.7
84.04454	3.1
84.08154	13.3
84.08572	2.9
85.02916	25.1
85.06547	3.6
86.09704	23.8
89.00610	11.5
90.01398	39.6
91.02180	5.8
91.83616	2.5
93.07025	4.6
95.00755	3.7
95.01340	44.8
95.04955	7.6
97.06514	5.0
104.98320	24.4
110.07158	4.4
111.02702	4.1
120.08102	7.4
120.97939	2.8
122.99361	100.0
125.05987	29.8
127.03877	4.8
129.10257	4.2
131.01610	5.2
139.02155	4.1
139.04062	3.0
151.11261	2.9
153.05469	33.3
153.06619	4.2
159.01152	3.6
160.35593	2.6
187.00616	3.4
215.05493	23.2
245.57446	2.5
305.08374	3.4
337.10736	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	336.1918
Annotation	Ala Val Phe
Peak:m/z	Relative Intensity
55.01857	0.7
55.05513	6.4
56.05032	1.8
58.06595	0.9
60.04520	1.2
61.01136	1.7
69.03424	1.5
69.07069	1.0
70.06598	6.5
71.04974	0.8
71.06880	1.8
72.08156	100.0
73.01144	4.6
74.01449	0.7
74.06110	0.9
79.05506	0.6
81.07090	0.8
84.04500	1.7
84.08131	5.4
85.02914	1.5
86.09705	10.4
88.56911	0.7
91.02175	4.3
91.05466	0.8
92.02542	1.5
95.01318	1.3
95.35808	0.6
97.06564	0.8
98.03258	0.7
100.07602	1.2
103.05502	0.9
104.05334	1.1
104.98321	1.4
105.07046	1.0
107.04961	0.8
110.07164	2.7
116.07113	1.5
118.06624	0.7
120.08109	38.2
122.99413	1.0
125.05993	1.1
129.10274	3.0
130.06537	2.5
132.08095	2.3
136.07593	1.5
143.11800	67.8
144.08076	1.0
145.03185	1.4
146.06042	0.8
153.05482	1.2
159.09158	3.8
162.05885	2.8
163.02463	0.7
166.08630	13.7
166.09920	0.9
170.06052	2.3
171.09839	1.3
171.11298	25.6
191.11833	2.2
196.50641	0.7
215.05525	0.7
219.11456	0.7
223.10707	0.9
233.16556	1.9
249.13493	1.3
265.15622	2.0
319.11139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.192
Annotation	Gly Phe Ile
Peak:m/z	Relative Intensity
55.05531	0.3
56.05040	0.4
57.03440	0.4
57.89339	0.3
61.01152	0.7
61.83851	0.4
64.11485	0.3
67.05503	0.4
67.46493	0.3
69.03424	0.5
69.07072	1.0
69.48266	0.7
69.48665	2.2
70.06598	4.6
72.08166	1.0
73.01155	1.5
75.05595	1.3
82.06593	0.4
84.04500	0.7
84.08157	2.7
85.02880	0.5
85.66723	0.3
86.09712	18.6
90.01405	0.5
91.02193	2.0
91.05482	0.6
92.02513	0.4
93.07057	1.1
95.01353	0.4
98.20748	0.7
103.05454	2.2
104.98315	0.8
110.07178	0.5
116.98309	0.3
118.06853	0.6
120.08112	100.0
121.08438	1.0
122.99362	0.9
123.04442	0.3
127.68917	0.3
129.10242	1.7
129.63696	0.4
130.06540	0.9
132.10211	6.0
143.11815	7.0
143.12921	0.4
159.09181	0.6
166.08601	1.8
168.38792	0.4
170.06032	0.4
171.11288	1.1
177.10243	47.1
178.10681	0.6
205.09738	9.7
215.05473	0.4
258.55289	0.4
279.17059	1.2
285.44849	0.4
316.07620	0.3
332.24069	0.4
337.10739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1922
Annotation	Ile Gly Phe
Peak:m/z	Relative Intensity
55.01869	0.4
55.05510	0.5
56.05037	1.1
57.05822	0.5
58.06609	0.7
60.04514	0.5
63.62318	0.4
69.03440	0.6
69.06727	0.8
69.07077	12.1
69.07452	0.6
70.06601	4.4
71.29240	1.0
72.08167	1.6
73.01138	0.6
79.05498	0.5
81.07069	1.2
84.04527	1.1
84.08139	3.2
85.02928	0.4
86.09711	100.0
87.10036	0.7
88.03979	0.6
90.01395	0.6
90.86761	0.4
91.02173	0.5
93.07063	0.6
95.01337	1.3
96.37516	0.4
100.19621	0.4
102.05575	0.6
103.05454	1.0
104.05316	0.7
104.98323	0.5
107.04971	0.4
110.07184	1.4
116.99969	0.4
120.08118	28.2
121.10171	0.5
122.99349	1.2
125.06085	0.5
129.10272	1.9
130.06516	0.5
131.04973	0.4
139.11162	0.6
143.11800	3.2
157.12277	1.4
166.08653	21.4
171.11308	10.7
171.12715	0.7
177.10246	3.5
211.66689	0.4
212.13457	0.5
215.29814	0.4
223.10806	13.8
223.12914	0.8
291.16986	0.5
305.39063	0.5
336.05804	0.4
336.19101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	24.4
58.06578	1.1
61.01152	2.2
62.12185	0.8
69.07079	8.9
70.06598	14.5
70.79881	2.3
72.08158	2.2
73.01153	1.6
75.05608	21.7
82.06581	16.9
83.04963	1.0
83.08626	20.7
84.08152	10.7
85.02908	1.4
86.09711	88.8
90.01399	1.0
91.05363	0.7
93.07084	1.3
95.01337	1.4
100.07639	2.2
100.11263	75.4
101.11589	1.4
103.05479	2.9
107.04876	0.8
110.06043	9.0
110.07159	1.0
111.04426	1.9
118.06895	3.6
120.08112	57.1
122.99283	1.9
125.06014	1.3
127.08657	5.6
128.07079	3.0
129.10283	3.8
130.06569	1.8
131.04967	1.2
132.10188	1.1
139.08678	11.5
143.11806	100.0
159.09268	0.9
162.79819	0.8
166.08643	26.2
171.11319	17.6
177.10243	2.9
182.15410	7.1
183.14841	1.1
205.09724	1.3
209.16504	68.7
210.14908	12.5
226.19112	1.9
227.17592	2.0
227.19611	1.6
228.15987	7.2
249.69476	0.8
300.16382	0.9
336.22684	8.7
337.77155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.72444	0.4
53.03944	2.4
55.01872	1.6
55.05514	13.3
55.12125	0.4
57.03439	18.8
57.07071	1.9
59.22800	0.4
65.03944	3.4
67.05508	63.7
69.03429	0.5
69.07069	14.0
71.04994	1.5
71.08635	0.9
73.13435	0.4
79.05496	29.7
81.07059	66.7
82.07394	0.5
83.04991	1.5
83.08617	7.4
83.12489	0.4
85.06548	1.4
91.05485	15.8
91.38800	0.4
93.07048	39.1
94.07385	0.6
95.04995	2.4
95.08610	56.2
97.06525	2.1
97.10160	3.1
97.32698	0.4
98.21532	0.7
99.08096	1.2
103.03904	0.7
105.04538	0.5
105.07030	12.1
107.04964	0.5
107.08598	23.7
109.06512	1.6
109.10158	25.6
111.08076	1.5
111.11720	0.8
117.07028	3.5
119.06033	0.4
119.08582	10.5
121.10145	20.2
123.08044	0.9
123.11711	8.6
125.09599	0.9
129.05453	3.1
129.07043	0.6
131.08580	8.9
133.09241	0.8
133.10141	10.5
135.11697	15.6
137.09608	0.8
137.13274	2.7
139.11180	0.7
144.69385	0.5
145.10130	6.9
147.11699	7.5
149.09554	0.4
149.13260	11.0
151.11194	0.7
151.14784	0.8
159.11714	5.9
160.04280	0.4
160.12175	0.4
161.13269	7.2
163.14828	5.3
165.12798	0.7
173.13260	5.9
175.14832	3.0
177.12718	0.6
177.16440	2.0
179.14301	0.8
187.14853	3.5
191.14380	0.8
201.16374	1.4
202.07039	0.4
205.15912	0.6
215.17889	0.9
217.19389	0.7
222.96822	0.4
233.22574	0.8
243.21095	10.2
243.34853	0.5
251.35342	0.4
261.22137	12.8
277.21518	0.6
279.23151	0.8
317.24725	3.0
335.25806	100.0
336.26105	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75576	1.4
55.01871	2.1
56.05041	1.8
57.03435	2.1
58.99593	1.9
61.01135	1.5
67.05516	2.7
69.03413	1.7
69.10366	1.3
69.87086	1.4
70.06592	6.5
70.14411	1.5
71.04971	2.1
71.55753	2.7
72.08162	3.9
73.01151	8.5
81.07066	2.5
84.04507	3.5
84.08145	4.3
85.02931	1.4
86.09711	5.3
86.99033	1.5
91.02196	22.0
91.05497	1.7
93.03765	1.7
93.07034	1.5
94.08556	1.6
104.98309	3.6
105.07016	1.7
109.02874	1.7
110.07182	4.1
116.07139	1.9
116.98319	3.4
118.99838	1.9
120.08117	2.1
125.62903	1.4
129.10315	1.8
131.08580	2.0
142.12312	1.8
152.06174	1.5
153.07002	4.5
155.08603	1.8
161.00960	6.4
163.11340	2.1
165.07030	6.6
166.07790	1.8
167.08488	3.2
169.06471	1.6
178.07800	15.1
179.08597	33.9
181.06491	11.0
182.07259	5.2
183.08090	3.6
185.09579	2.7
189.07008	10.1
190.07822	2.7
191.08545	2.8
192.05612	1.5
193.06432	2.1
193.94348	1.4
194.07373	2.7
195.08121	8.3
196.08839	9.7
197.05832	3.2
199.07626	2.4
205.06482	3.7
206.07329	7.6
207.08075	47.1
208.08809	4.1
209.06026	8.8
209.09608	4.6
210.06743	4.2
211.07610	9.9
211.11244	6.1
213.09102	4.2
214.09407	1.8
217.06586	7.1
218.07295	10.3
219.07974	1.7
220.05272	2.8
221.06033	13.6
221.09618	4.7
223.07591	10.9
224.08351	20.7
225.09131	4.3
227.07019	4.1
227.10728	2.1
233.05852	2.0
234.06767	12.7
235.07570	100.0
236.08235	5.7
237.05501	7.1
237.09071	7.6
238.09914	2.2
239.07019	3.4
239.10707	50.4
240.07845	2.4
240.11035	1.6
241.08635	12.9
242.05891	1.6
242.09354	4.6
249.09180	4.5
251.07045	4.5
252.07846	19.3
253.08633	14.7
254.09375	2.7
255.06442	2.9
255.10233	5.7
256.10818	1.7
257.08029	1.6
266.09384	3.6
267.10196	79.4
268.10754	6.1
269.08112	30.9
269.11322	3.1
270.08853	4.7
271.09668	3.3
271.13354	2.6
272.10391	3.9
281.11652	3.1
284.10443	35.2
285.11279	4.0
299.12820	54.3
300.12741	2.1
317.13895	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
69.92242	9.8
69.92645	17.6
81.48415	6.1
118.15259	5.8
136.20148	6.8
190.41884	5.6
335.07550	100.0
353.20291	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	335.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	14.4
59.30643	4.1
66.99305	4.6
69.88679	21.7
82.08839	3.9
84.08157	6.3
85.95888	4.0
98.97588	14.4
110.97573	6.8
119.01989	4.7
122.57510	4.5
129.10231	5.1
130.36855	4.6
131.17398	3.9
146.97824	5.0
157.03569	5.9
164.98944	5.2
219.01677	5.7
266.70496	4.8
329.12994	4.5
335.07446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	5.9
56.96561	12.2
57.03434	2.8
60.04512	3.9
68.05016	4.2
69.03448	3.5
70.02943	2.8
70.06594	18.7
70.14207	9.0
72.08147	10.3
72.93783	3.5
74.06075	14.8
79.05438	2.8
84.04516	10.4
84.08154	25.6
85.02911	8.8
86.09246	3.8
86.09710	27.4
87.10058	9.8
88.03990	3.4
91.05483	5.8
96.08144	2.9
97.02883	5.4
98.20764	3.1
98.97573	3.9
98.98483	17.9
101.07146	7.4
102.05536	5.1
110.07142	4.4
115.05032	3.5
116.07111	3.5
116.98691	3.3
120.08111	5.8
123.05547	10.6
127.03895	3.4
129.10249	12.0
130.05043	3.9
130.06541	100.0
132.04457	22.3
136.07607	10.2
137.06015	5.0
146.06041	5.9
157.06276	4.2
157.07596	30.5
158.06042	16.1
159.09169	5.5
169.07584	4.7
172.95274	3.1
173.07057	5.0
174.05585	3.5
175.08769	8.9
185.07152	16.7
187.08778	3.0
187.14381	15.2
188.14777	20.1
197.07111	7.4
198.10214	4.2
200.05511	3.7
201.05847	2.9
203.08165	4.5
214.09932	4.0
215.14037	2.9
216.14162	6.8
218.06818	3.4
219.01735	4.2
225.06583	9.0
232.10840	8.7
234.98915	7.0
237.02837	3.1
242.09303	7.3
243.07690	26.2
260.10336	33.3
261.03793	5.4
293.10736	4.8
295.34888	3.4
295.76532	3.1
300.09842	7.3
317.12280	9.3
356.41653	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	335.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70631	1.8
50.88202	1.8
52.59828	1.8
55.01873	3.2
56.05028	3.9
56.96569	20.4
57.03440	3.7
57.16481	1.8
58.53997	2.0
58.95110	1.9
60.04523	2.5
61.01146	3.3
61.02921	3.2
65.03933	2.8
69.03428	8.1
69.07082	2.0
69.51701	14.3
70.06586	6.6
72.08160	5.0
74.02425	3.0
75.17570	2.0
81.03415	6.4
82.99880	2.0
83.05002	2.3
84.04497	5.2
84.08149	14.0
84.96025	2.7
85.02911	5.1
85.13577	1.8
86.09697	12.2
87.10027	3.6
88.93751	5.1
91.05486	2.5
92.04986	2.4
94.06573	3.2
96.04484	3.4
97.02900	21.5
98.97585	27.8
98.98251	2.8
98.98399	2.2
99.00812	3.2
99.04437	2.3
101.00906	14.3
101.07106	2.2
102.05569	2.1
104.05330	2.9
106.06567	2.6
109.02861	2.5
110.97593	5.3
112.07640	3.2
113.00876	6.4
114.62798	2.1
115.02457	3.9
115.03921	7.2
116.98632	12.1
117.28362	2.7
118.06563	4.8
119.01922	29.1
119.04963	2.5
120.04494	23.6
120.08090	4.9
123.05569	8.8
127.30528	2.0
128.98639	8.0
129.03996	3.5
129.06985	2.2
129.10254	5.4
130.02893	6.1
130.06522	34.8
130.08604	2.4
131.01906	25.7
131.05539	9.2
132.04457	5.9
132.08122	2.6
133.03429	7.5
136.07590	5.9
137.02930	4.1
137.05974	5.0
143.00194	3.3
143.01891	35.6
144.08086	9.0
144.98132	2.7
145.03476	6.5
146.06027	37.9
146.99655	4.2
147.05109	4.2
148.07565	5.7
149.06578	15.7
154.06511	3.3
155.01912	24.9
156.04483	6.7
156.08121	5.9
157.07701	4.3
158.06032	16.9
158.99725	4.5
159.05066	4.0
159.06821	3.3
160.07625	5.2
160.99434	3.2
161.02966	44.4
162.05556	3.0
162.99243	2.6
168.08119	6.1
169.07610	4.4
170.06061	8.7
170.09613	2.3
171.05023	3.5
171.09122	2.8
172.07579	7.4
173.03014	17.2
173.06593	36.8
173.12834	3.5
174.05542	2.6
174.13219	4.7
175.04619	2.1
175.08492	2.2
177.00725	5.1
177.06087	3.6
179.00565	6.7
180.08141	4.9
181.07642	8.8
182.06012	2.8
182.08440	2.0
183.06818	10.2
184.07588	34.9
185.06641	44.8
185.08386	12.7
186.05652	4.7
186.09160	7.3
187.08269	8.6
188.95973	2.2
190.98602	2.0
191.00455	2.6
191.02344	2.4
191.07660	14.1
196.07568	21.1
197.06786	3.1
198.05554	5.8
198.09212	13.3
199.08459	3.5
201.12285	2.7
202.05020	2.6
202.08588	9.5
202.12674	4.6
203.04080	6.7
203.07645	24.3
205.00266	4.1
208.07628	8.6
209.01610	6.3
209.06747	2.5
212.07161	2.9
214.08563	11.2
215.00537	8.2
215.07704	13.7
219.01892	6.7
221.05110	25.9
223.01340	4.7
224.07104	3.9
226.08713	13.4
227.07660	5.9
233.01537	10.2
233.08691	6.3
234.99052	3.2
236.07161	8.8
237.02870	8.5
238.08624	3.3
240.06654	3.6
243.07669	4.6
244.09721	16.4
245.09302	11.8
252.06577	2.8
254.08208	9.3
257.08792	4.4
262.10773	9.0
270.07605	21.0
272.08963	3.3
275.09781	61.1
275.12787	3.4
282.07715	7.1
293.10825	90.5
300.08847	7.8
305.03528	2.6
316.12573	3.1
317.02005	2.4
317.11856	3.1
318.09662	10.5
335.05685	100.0
335.11911	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	335.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10345	1.1
53.11165	1.1
56.05033	2.1
56.96570	100.0
57.03428	1.1
58.92716	1.1
58.99865	1.3
60.04519	3.1
61.01144	2.1
64.19624	1.0
69.03429	4.8
70.06597	4.6
70.63469	1.2
70.63821	2.8
70.98110	1.8
71.95263	3.6
72.08167	5.5
73.01125	1.2
73.08479	1.5
74.06073	1.1
74.97612	3.0
81.03354	1.3
81.68039	1.2
83.06091	1.8
84.04518	3.4
84.08157	11.0
84.96037	10.9
85.02913	4.1
85.06557	1.5
86.09712	5.1
87.02689	2.9
87.05597	1.1
88.11859	1.2
88.93758	7.3
97.02888	5.6
98.97588	7.9
100.99123	1.8
101.00901	3.6
102.97059	1.9
103.02473	7.8
104.05343	2.2
109.46158	1.1
110.07170	2.3
110.97594	5.3
112.99130	2.6
113.00898	2.5
115.00664	1.5
115.02402	2.2
115.03947	1.3
116.93165	1.7
116.98608	5.5
119.01934	8.6
120.04522	1.5
120.08115	5.7
120.98158	1.3
121.03465	2.0
122.02733	1.4
123.05567	3.6
126.01681	1.2
127.02408	1.1
128.98651	6.3
129.03978	3.4
129.10254	5.5
129.94012	2.9
130.06525	4.8
131.00171	4.3
131.01907	19.6
133.01727	2.8
133.03441	3.0
134.99651	1.3
136.07574	1.7
139.00668	2.6
141.02202	4.2
141.03978	2.2
143.00159	1.4
143.01889	9.5
143.05652	1.3
144.02768	1.5
144.98099	2.8
145.01721	2.0
145.03482	3.3
146.06042	3.4
146.97900	39.5
146.99648	5.0
147.01410	2.2
147.05019	3.2
147.95065	2.6
149.01221	5.6
149.02975	4.6
149.06580	1.6
155.00137	2.7
155.01938	5.9
157.01775	3.3
157.03464	4.9
158.06053	2.2
158.99681	2.8
159.03339	8.1
159.05000	3.3
161.02959	14.8
162.99101	2.8
164.06998	1.3
164.98956	63.5
169.01723	1.5
170.97868	2.9
171.05057	2.3
172.02286	1.2
172.97656	2.5
173.01164	10.8
173.03082	7.8
173.06647	4.0
174.99181	9.1
175.02774	5.1
175.04385	2.9
177.00717	3.1
177.04340	3.1
183.00018	13.2
184.07574	3.4
185.03053	2.1
185.06653	5.1
186.08922	1.3
187.02834	2.2
188.00571	1.3
188.98970	24.1
189.00645	2.6
190.98779	2.3
191.00522	4.5
191.02254	26.2
191.03920	1.7
191.05653	1.2
193.00221	11.6
193.01918	2.3
193.03773	2.8
196.07570	1.8
198.09029	1.3
199.02667	2.5
201.00652	10.0
202.08508	1.2
203.02344	1.7
203.04074	3.6
203.07706	3.4
205.00218	2.2
205.03857	2.4
207.00002	37.1
207.01888	2.7
215.07703	3.2
216.98322	3.9
217.03796	9.6
219.01740	18.7
220.02806	1.9
221.05081	6.9
223.01376	2.4
223.04886	4.0
225.01085	3.6
227.02261	1.7
232.99733	1.5
234.99489	43.4
237.02802	12.0
245.03235	9.5
245.09178	1.7
253.00565	55.7
263.04370	4.1
271.01471	2.4
273.02844	8.6
275.10001	5.6
289.02371	1.8
289.05981	2.3
289.09540	3.1
291.03894	14.1
293.10806	14.5
299.00659	2.9
307.10745	3.1
309.04877	3.2
317.02011	8.4
335.01541	4.9
335.05728	11.5
335.11447	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	335.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.5
57.03432	2.3
58.99592	6.1
59.96741	2.5
61.01155	28.6
63.94464	2.7
64.47939	1.6
65.03945	1.4
67.05505	4.5
69.03423	2.5
69.07056	2.3
70.06586	4.8
70.99575	2.7
71.16985	2.8
72.00364	1.6
73.01145	22.7
75.00708	2.7
79.05515	2.6
81.03457	1.6
81.07063	5.3
83.08631	6.9
83.78158	1.7
84.04521	2.1
84.08136	2.9
85.01123	1.8
85.06557	3.2
86.09693	4.4
87.89234	1.6
89.00634	2.2
91.02175	7.1
93.07046	3.9
95.04958	2.7
96.05761	5.6
96.92405	8.4
97.06506	1.7
98.98487	1.7
99.02679	3.7
100.02243	1.7
103.97539	2.4
104.98325	100.0
105.07041	3.4
105.99117	11.6
106.97914	8.5
106.99902	2.9
107.08636	3.5
108.27135	1.6
109.10173	3.0
110.07310	1.7
110.93957	99.7
112.93530	7.3
113.04241	16.5
113.06013	1.6
114.05017	3.4
115.05790	6.0
116.98308	7.1
118.99872	17.7
119.08592	3.9
120.08105	2.6
135.01050	2.2
135.11734	1.8
136.95477	2.3
138.95088	2.2
138.97060	32.1
142.08653	4.2
143.08598	1.8
145.01443	4.9
145.10115	2.6
147.94754	4.0
148.95529	2.1
157.04268	3.1
159.03922	2.9
161.00902	4.3
168.98122	77.6
170.97707	5.9
173.03981	1.9
173.05553	2.3
179.00209	15.8
182.91217	1.7
197.01251	22.5
270.94070	2.0
271.20328	2.5
289.21585	2.7
290.38077	1.8
335.09058	2.8
335.12686	20.1
335.23407	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	334.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.6
56.05040	3.5
57.02726	0.4
57.03449	1.2
57.07076	2.9
58.02974	0.6
60.04532	100.0
61.01154	0.5
61.84050	0.4
67.05511	8.8
68.05039	1.3
69.03421	0.7
69.07077	6.1
70.06607	2.1
71.05010	0.5
71.08631	1.5
71.55798	0.9
72.04524	3.0
73.01153	1.2
74.06081	2.3
79.05505	3.1
80.05036	1.5
81.07066	12.2
82.06601	1.6
83.05010	1.0
83.08630	6.2
84.04530	1.2
84.08147	1.3
86.06097	0.6
90.05581	1.7
90.72662	0.5
91.05473	2.5
93.07057	3.2
94.06605	1.2
95.04988	0.9
95.08617	13.4
96.08148	0.8
97.06552	1.0
97.10175	3.0
98.98463	0.7
102.05550	2.3
104.98335	0.6
105.07088	1.6
107.08613	2.0
109.10170	5.2
111.11758	1.0
112.07716	0.6
113.04264	1.5
116.07120	1.6
119.08617	1.1
121.10181	1.6
123.11729	1.9
133.10181	1.0
135.11690	1.1
137.13275	1.3
151.14894	0.5
153.94977	0.5
182.77316	0.5
202.02965	0.5
221.22607	0.9
228.01546	0.5
236.44484	0.5
239.23753	2.2
250.25201	0.6
262.25406	1.8
263.23828	1.0
268.26459	1.1
272.25992	0.6
280.26385	9.0
281.24719	0.6
298.27435	16.3
316.28485	44.3
317.28629	0.8
328.65201	0.5
334.13007	0.5
334.29532	33.6
335.29993	0.9
358.10736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.9392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11239	1.2
52.83579	1.0
57.47285	1.3
58.99581	3.9
60.07780	1.2
61.01146	3.8
67.05505	3.9
68.72060	1.0
69.07065	12.4
69.44567	7.9
69.44971	2.1
70.06591	6.8
73.01131	4.9
78.96773	1.4
79.05495	10.6
81.07046	1.2
84.08169	1.4
85.01142	2.8
88.03454	2.3
88.07697	1.2
92.02335	1.4
92.98318	4.8
95.04943	2.5
97.01112	2.6
97.06513	7.0
97.60242	1.4
98.01884	1.3
99.02674	13.8
99.72128	1.1
101.04242	7.8
102.79636	1.1
104.98329	2.9
108.92405	1.3
110.93967	13.0
111.02695	6.8
112.03454	7.1
113.04236	100.0
114.05025	8.7
115.02183	1.1
115.03815	1.3
129.03709	11.7
130.04472	3.2
130.99828	1.5
132.10220	1.5
142.99870	2.2
145.01454	7.5
146.11746	1.8
147.02921	1.4
158.87750	1.1
181.16122	1.3
228.23247	3.0
238.72961	1.2
272.25864	9.6
298.38309	1.2
334.29526	18.2
335.29868	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	334.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
58.02972	1.7
67.05492	2.1
70.06608	1.8
72.08147	1.5
78.04688	2.6
80.05045	2.3
84.08167	2.4
85.01122	2.6
100.07643	2.3
100.11250	6.0
106.06547	2.2
114.09181	3.1
118.06548	29.7
119.01836	1.7
119.07355	12.3
120.08099	14.0
122.22786	1.6
124.89441	1.7
134.06006	2.8
142.08624	4.0
146.06000	2.2
147.06758	3.3
150.03751	10.5
150.05504	4.8
151.04514	5.4
152.05304	2.3
163.06294	5.6
164.07074	30.5
165.07866	100.0
178.03256	1.9
182.15347	2.2
184.13354	2.7
196.04294	99.4
197.04877	1.6
219.57494	2.0
261.81876	1.7
270.06116	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05495	1.3
56.96575	1.1
58.99586	1.6
62.65551	1.1
62.90159	1.0
69.39989	9.5
69.40414	1.9
70.06586	2.1
72.08160	1.8
78.15295	1.1
79.05497	2.6
81.07043	1.5
84.04488	1.4
84.08131	4.6
85.01130	3.7
86.09710	2.7
91.05460	1.1
93.07060	1.6
93.67729	1.2
94.06558	2.3
95.04976	1.1
96.75320	1.1
98.21510	2.3
98.98492	2.1
99.02680	1.6
104.04994	2.1
106.06607	2.2
108.08150	1.4
109.50374	1.2
118.06552	32.5
119.07353	9.5
120.08125	15.5
121.06622	1.1
129.10233	1.8
134.06009	3.0
137.03029	1.5
146.06013	2.8
147.06770	2.9
150.03737	9.9
150.05501	6.8
151.04494	4.1
152.05295	3.0
158.06699	1.3
162.05516	1.6
163.06287	5.5
164.07076	31.0
164.08394	2.3
165.07870	90.6
178.03209	2.6
196.04297	100.0
197.04951	2.0
255.05203	1.3
270.06165	17.1
334.13571	1.7
334.23984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.6
56.05038	5.7
57.03441	2.4
58.06592	2.6
60.08167	1.5
61.01149	2.7
61.02923	3.3
69.03440	7.1
69.07062	3.6
70.06606	14.4
71.04993	4.5
71.06918	1.6
72.08167	13.4
73.02917	2.0
74.06082	4.4
79.05486	2.2
81.03424	3.7
81.07069	21.7
83.08633	7.2
84.04514	5.1
84.08156	7.3
85.02916	16.8
85.06547	4.8
85.08440	1.2
86.09718	19.2
87.10047	2.4
88.03985	1.7
91.03986	1.3
91.05492	3.1
93.07027	1.9
96.08173	1.9
97.02914	6.9
98.06100	1.8
98.09690	2.8
98.98480	4.3
99.08112	3.6
104.05358	6.7
108.08134	4.1
109.02881	1.5
109.06530	18.9
110.06054	2.4
110.07160	2.4
112.07640	2.3
116.07138	2.5
118.06914	3.2
120.08086	9.2
120.56503	1.3
124.11233	1.9
126.05551	2.0
126.09168	49.6
127.03952	3.3
127.07571	19.3
129.10246	5.1
130.08655	4.3
136.07629	7.5
137.06000	7.2
145.04991	2.5
148.06133	1.2
154.08647	65.0
155.07050	43.7
169.13412	5.6
172.09703	100.0
174.00369	2.1
175.10857	2.6
188.07468	3.5
203.10329	1.7
217.13742	6.5
221.09550	3.0
239.05305	2.5
245.13109	2.2
271.02463	4.7
281.50140	1.5
334.08688	1.6
339.69290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77858	0.9
55.01863	2.8
55.05495	1.3
67.05518	1.6
70.06578	3.1
71.55631	1.2
72.08125	1.6
73.01138	2.6
79.05494	2.4
80.05034	1.4
81.07028	1.5
83.04997	1.3
84.04480	1.1
84.08141	2.9
85.01134	2.8
86.09707	1.8
91.05507	2.2
93.05766	1.9
94.06578	3.3
95.04964	1.2
98.98460	1.5
99.02682	1.1
100.11251	1.8
106.06560	3.0
107.08546	1.2
114.09180	2.0
118.06552	31.2
119.07339	9.1
120.08113	16.8
129.10234	1.9
130.06520	3.1
134.06010	2.1
136.07558	1.3
140.05211	1.2
146.06000	2.0
147.06787	2.5
150.03745	9.9
150.05510	5.6
151.04492	3.8
152.05309	1.5
162.05544	1.7
163.06297	4.9
164.07068	36.9
165.07866	95.5
178.03212	2.4
181.08585	1.2
182.15404	1.1
196.04291	100.0
197.04958	1.9
270.06189	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	334.06
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36005	1.1
65.03950	1.2
70.06602	1.5
71.55805	1.8
72.75243	1.2
80.22288	1.2
84.08160	2.1
85.01110	2.3
87.66855	1.2
91.05476	2.0
94.06550	2.3
100.11252	3.8
104.05012	1.3
104.98270	1.7
106.06544	2.6
114.09159	3.6
118.06553	30.7
119.07337	7.8
119.25431	1.3
120.08122	14.7
134.05998	2.3
137.02882	1.3
142.08665	1.2
146.06041	2.0
147.06813	2.4
150.03775	10.5
150.05505	5.8
151.04500	4.5
152.05289	2.5
156.13840	2.5
163.06259	5.2
163.47971	1.2
164.07080	31.7
165.07870	87.5
178.03235	2.5
182.15366	1.7
196.04291	100.0
197.04990	2.8
270.06207	18.0
281.96243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01870	4.7
55.05518	21.9
57.03446	22.6
57.07077	3.8
65.03941	4.4
67.05511	100.0
69.07071	14.9
69.24551	6.9
69.24979	8.8
73.02927	4.4
79.05495	60.2
81.07065	76.0
83.04983	2.2
83.08616	3.9
88.07652	2.0
88.24493	1.6
91.05485	40.6
93.07053	56.5
94.02975	1.4
95.04971	7.8
95.08614	50.5
97.06540	1.7
97.10174	3.2
98.21530	2.9
98.98474	24.9
100.98912	1.5
103.03947	2.5
105.07040	22.0
107.08604	27.6
109.06509	4.0
109.10165	20.3
113.04226	6.9
117.07048	5.0
119.08593	19.6
121.10149	22.4
123.08112	2.0
123.11704	4.9
129.05493	20.5
129.06992	2.6
131.08601	4.2
133.10150	11.2
135.08118	2.2
135.11716	15.4
137.09607	2.3
143.08568	5.0
145.10100	6.1
147.11711	10.2
149.09651	10.3
149.13304	3.1
151.11208	1.8
157.10147	3.6
159.08069	2.0
159.11736	3.9
161.09720	3.3
161.13237	4.8
169.10101	2.4
171.11685	4.1
173.09618	6.1
173.13277	3.0
175.11226	2.5
175.14790	2.1
176.98979	2.7
183.11688	3.0
185.09634	2.5
185.13234	2.6
189.12764	2.6
191.14311	1.9
197.09499	2.6
197.13225	2.7
198.10431	5.4
199.11258	2.8
201.12802	2.1
211.11203	6.5
213.12727	6.7
217.19646	2.6
220.46646	2.1
224.65501	1.6
225.12781	23.0
227.14214	2.6
229.16013	2.1
239.14282	2.3
240.15106	15.7
241.19617	3.0
255.17467	86.6
256.17950	3.6
259.20544	2.6
273.18524	39.8
315.19522	6.3
315.23166	1.8
333.20569	34.8
333.24280	53.5
334.24329	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	Tricalysiolide A
Peak:m/z	Relative Intensity
53.03927	1.0
53.49934	0.6
55.05520	4.0
57.03398	3.4
57.07045	1.4
57.44981	0.6
64.37501	0.8
65.03912	1.6
67.05511	12.2
69.03396	1.4
69.07069	3.4
69.26649	5.4
69.27052	2.0
79.05495	10.3
81.07063	11.3
83.08604	1.5
91.05480	7.5
93.07043	9.7
95.04941	1.5
95.08610	9.8
98.21516	1.8
98.98469	11.5
105.07037	6.2
107.08595	7.4
109.06465	1.4
109.10165	4.4
113.04196	2.4
117.07004	2.2
117.57201	0.8
119.08581	7.2
121.06437	1.4
121.10086	2.7
123.05523	1.0
123.08038	1.1
129.03664	0.9
129.05428	2.7
129.06979	2.2
131.08540	1.7
133.10109	3.3
135.08037	1.1
135.11656	2.5
136.95496	0.9
137.09560	1.0
141.06857	0.8
142.07796	1.1
143.08531	2.9
145.06490	1.6
145.10083	2.2
147.07928	0.7
147.11671	1.2
149.09625	10.2
151.11020	0.8
155.08598	0.9
157.10097	3.0
159.08002	1.6
159.11682	1.6
161.09592	1.1
161.13219	1.1
167.08533	1.0
169.10127	1.3
171.08040	1.4
171.11693	1.3
173.09627	3.8
176.98907	1.3
183.08018	1.0
183.11646	2.8
185.09641	4.4
185.13234	1.7
187.11188	1.2
188.11987	1.3
189.12819	1.0
193.10101	0.9
197.09631	2.7
197.13214	2.1
198.10388	6.4
199.11160	4.1
201.12743	1.5
211.11197	8.3
212.11794	0.8
213.12733	7.9
216.82568	0.8
225.12741	24.8
227.14349	1.8
227.17976	1.1
229.15860	1.7
239.14288	2.1
240.15106	16.5
255.17445	100.0
256.17755	2.1
273.18491	52.5
274.18860	1.1
286.30237	0.8
315.19626	4.9
333.16290	1.6
333.20618	46.0
333.24335	7.9
334.21039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Tricalysiolide A
Peak:m/z	Relative Intensity
53.03945	1.1
55.01852	1.7
55.05510	6.5
56.96552	2.4
57.03428	4.5
60.04502	1.8
61.46450	1.0
67.05508	19.1
69.07068	4.4
69.33789	1.0
69.40183	7.2
72.04519	1.6
73.01133	1.0
79.05492	14.0
81.07063	13.9
91.05494	9.5
93.07049	10.1
95.04990	1.9
95.08614	12.7
98.98470	18.7
100.98881	1.3
105.07024	8.0
107.08596	5.7
109.06504	1.1
109.10150	3.9
110.54913	0.9
112.61458	0.9
113.04234	7.2
113.29304	1.0
117.07063	2.4
119.08585	6.1
121.10147	4.7
123.05584	1.3
123.08050	1.2
123.11668	1.3
126.61722	1.0
129.05466	3.0
129.07019	2.1
130.99976	1.1
131.08632	1.7
133.10132	4.6
135.08054	2.5
135.11697	2.4
137.09622	1.1
140.98492	1.2
142.07808	1.1
143.08588	2.9
145.01422	1.1
145.10141	2.4
146.99681	1.4
147.11694	2.8
149.09630	11.1
150.10370	1.0
155.08574	1.8
156.09341	1.3
157.10193	2.0
157.22119	1.1
158.86256	1.0
159.08138	1.3
159.11714	1.9
161.09641	1.7
161.13234	1.7
170.11034	1.2
171.08095	1.1
171.11749	2.9
173.09663	4.0
173.13235	1.7
176.98956	1.9
183.11748	2.7
185.01251	1.1
185.09659	3.4
185.13264	2.9
187.11316	1.8
189.12856	1.6
197.09581	2.6
197.13309	3.2
198.10373	6.0
199.11211	4.3
199.14874	1.2
200.12086	1.0
201.12781	1.9
211.11188	8.0
212.12021	1.4
213.12767	7.3
214.34232	1.1
215.14453	1.6
225.12747	24.8
226.13521	1.9
227.14325	1.7
228.58148	1.0
229.15881	1.4
239.14285	2.0
240.15083	15.8
255.17445	100.0
273.18509	50.6
274.18887	1.2
297.03140	1.1
310.13669	1.2
315.16266	3.2
315.19705	5.9
333.17307	4.1
333.20663	50.2
333.24380	10.0
333.31747	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.9
56.05035	1.5
56.96569	4.7
57.05824	0.7
60.04532	9.3
69.03451	0.7
69.07064	1.0
70.02946	1.1
70.06596	2.7
71.54679	1.1
72.08160	100.0
73.08489	2.5
74.02423	1.0
74.06076	2.8
81.12460	0.5
83.06107	3.5
84.04507	1.2
84.08142	8.1
85.02934	0.8
85.06561	0.8
86.06086	0.8
86.09709	16.2
87.05608	4.2
88.04002	0.8
96.08119	0.9
97.02872	1.4
97.92892	0.5
98.02423	1.2
98.97601	1.8
98.98483	2.4
106.05044	1.1
106.07234	0.6
108.08115	5.1
109.08445	4.1
110.97614	0.8
113.07169	2.1
114.09196	1.7
118.08680	1.3
119.01914	0.9
123.05573	0.7
124.07599	2.7
128.10768	1.0
128.98624	1.2
129.10252	6.5
130.05051	0.7
130.08667	0.8
130.93311	0.9
131.01941	1.2
131.08185	5.7
133.06088	4.1
135.06323	0.8
136.07610	1.2
138.09204	1.0
141.06596	3.7
141.10176	2.8
145.06137	0.7
146.97977	1.0
152.06017	0.5
152.07098	3.2
153.07477	3.7
155.11827	1.5
158.99779	0.6
159.07692	5.9
159.11288	9.2
161.02985	0.9
164.07085	3.8
164.98972	1.0
169.09808	2.2
171.05132	0.7
171.11247	0.6
171.15005	0.7
172.15266	1.0
173.01302	0.7
173.02966	1.2
173.12860	6.6
173.14018	0.6
174.99231	1.1
175.04558	0.8
175.10789	24.3
175.12286	1.2
177.00711	0.6
183.05115	0.8
187.10765	3.9
191.02328	1.5
192.98755	0.8
193.00304	0.8
200.13887	5.1
201.12424	2.4
203.04019	1.0
207.00160	1.0
212.13991	0.6
213.06303	0.6
216.09805	0.7
219.01743	1.0
221.05089	3.9
228.13641	0.8
234.99449	0.8
237.02733	0.8
240.13440	8.4
258.14493	0.7
262.14120	1.3
273.08276	1.0
287.09772	4.2
305.10931	3.3
315.09393	1.2
315.12778	4.2
315.16339	0.9
333.10205	2.2
333.13870	3.2
333.18045	1.1
350.97763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.1
55.93534	9.1
56.87207	1.9
57.07079	8.3
67.05504	3.7
69.07058	2.1
70.95864	3.4
71.08626	6.3
71.56342	1.5
71.93021	2.7
72.93800	11.5
76.21732	1.4
79.05493	3.4
81.07059	3.6
82.18735	1.4
85.10198	2.7
88.96949	1.7
89.06050	11.0
90.94855	8.8
91.05495	7.4
92.17708	1.4
93.07039	4.1
94.86853	1.5
95.08656	2.0
98.98483	7.4
105.06987	3.8
107.08585	1.8
108.95886	2.4
116.36350	1.5
117.07061	2.1
119.08594	3.2
126.98449	3.0
127.99306	1.7
138.98410	2.7
144.99535	2.1
146.97360	2.0
151.09676	7.4
162.49121	1.6
164.99986	5.1
166.97977	2.1
178.97951	3.8
183.98242	2.9
192.99489	3.0
193.28584	1.9
209.33499	1.5
227.05246	3.6
241.05075	2.1
247.12613	1.6
255.06807	2.7
281.09821	4.7
329.12112	6.3
331.13467	10.1
333.15128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.9
58.49849	4.4
58.99579	9.6
60.04531	20.6
61.01148	23.6
62.74106	3.3
63.79082	3.3
67.05502	6.7
69.07063	7.2
70.06593	5.7
70.11517	7.2
70.11912	8.5
73.01153	41.0
73.27930	3.4
79.05486	7.4
80.05003	5.5
81.07055	10.2
83.08579	7.4
93.07071	4.9
95.08619	5.6
98.98480	24.1
102.96735	4.9
103.97529	8.8
104.40805	3.7
104.98325	57.8
105.07055	4.1
105.99092	9.2
106.99911	5.3
110.93968	100.0
113.04233	17.7
116.98322	8.0
118.99870	12.2
121.10119	4.8
136.95497	29.9
145.01418	3.7
146.02252	3.5
168.96709	4.4
168.98125	69.0
179.00114	18.2
194.99695	5.9
209.62173	3.7
217.87823	3.9
240.23236	7.7
272.88693	3.8
278.24792	4.7
296.25858	7.3
303.44492	3.8
314.26901	21.8
315.27179	8.6
332.27979	58.6
333.28412	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	333.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.9
58.99584	4.4
60.04526	7.7
61.01163	18.6
62.04514	2.4
63.94419	3.6
69.27325	2.3
70.81339	5.4
70.81696	2.2
70.99593	3.2
71.45817	2.7
72.04506	3.2
73.01140	31.2
79.05508	3.4
80.05003	4.0
81.07076	4.1
83.08634	6.9
95.08654	2.5
98.98470	11.0
103.34672	2.6
103.97532	10.8
104.98323	60.7
105.99083	8.8
110.93958	100.0
113.04234	10.0
115.05813	4.8
116.98309	6.4
118.99885	12.9
136.46547	2.6
136.95476	19.4
142.08646	3.9
145.01419	7.3
157.04340	3.4
168.98123	69.2
168.99487	5.0
179.00227	11.6
194.99672	4.5
296.25812	3.7
314.26996	7.7
332.27924	21.9
333.13126	22.9
333.28415	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	332.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.05515	4.5
56.05022	2.2
57.03431	1.7
57.07067	1.1
60.04530	22.6
63.19641	0.4
65.89385	0.4
67.05501	5.2
68.05013	1.6
69.03417	1.3
69.07071	6.0
69.38265	0.5
70.06599	2.4
70.15330	2.2
70.78253	0.4
71.04982	1.0
71.08616	0.5
71.20843	0.5
72.04498	2.0
73.01127	0.8
74.06079	0.7
79.05506	2.5
80.05024	7.3
81.03418	0.8
81.07061	4.9
82.06576	3.2
83.04988	0.8
84.04488	0.7
84.08141	1.6
84.58064	0.5
85.02901	0.7
86.06076	0.9
86.09707	1.1
90.05541	1.9
91.05478	1.3
93.07016	3.1
94.06561	4.7
95.04949	0.7
95.08604	4.0
96.04469	0.7
96.08135	1.6
97.06556	0.9
97.10157	1.3
98.06039	1.9
98.98468	11.9
100.07632	0.6
100.98901	0.7
104.98322	1.4
105.07036	0.8
107.08607	1.4
108.08114	0.9
109.10167	2.2
110.06033	1.5
110.93974	0.8
113.04240	2.3
114.05496	0.5
119.08553	0.6
120.08118	1.0
121.06481	1.2
121.10153	1.5
123.05518	0.9
124.07616	0.6
132.06590	1.0
133.10175	0.6
135.11649	0.7
168.98068	0.5
179.00237	0.6
210.05875	0.6
210.22177	0.8
222.22150	2.5
237.00426	0.6
240.23228	11.8
248.23738	1.0
250.25294	0.7
258.24234	1.9
260.23721	1.2
266.24768	0.9
271.08762	0.5
278.24783	10.3
296.25842	6.8
314.26892	20.1
315.27109	0.7
317.09180	1.1
332.11743	1.9
332.27954	100.0
333.28314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.07081	4.3
58.96567	0.5
60.04529	100.0
67.05513	2.2
69.03432	0.6
69.07069	2.7
71.00097	0.8
71.00459	0.9
71.08636	2.9
72.04521	14.3
79.05493	0.7
81.07065	2.7
83.08634	1.6
85.02917	0.6
85.10197	1.3
86.06090	0.7
87.04470	0.8
90.05585	1.2
95.08603	3.9
97.10185	1.1
98.98497	1.8
109.10149	1.2
111.11680	0.5
140.94478	0.5
212.23769	1.2
266.24924	0.9
268.26526	1.3
279.23199	8.1
296.25879	6.5
314.26895	16.4
314.30188	1.2
332.27991	1.1
332.31665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52705	0.7
52.42661	0.7
53.03946	0.9
55.05518	7.3
56.05041	2.7
56.27708	1.2
57.03433	1.6
57.07075	2.4
60.04530	100.0
62.98297	0.8
67.05230	0.8
67.05519	8.1
68.05035	1.9
69.03433	2.0
69.07078	7.5
70.06589	2.9
71.08643	2.3
71.54449	0.9
71.54798	1.1
72.04523	4.5
72.08156	1.5
74.06081	1.9
79.05511	5.6
80.05009	2.5
81.07066	8.0
83.08642	5.5
84.04503	1.3
84.08179	1.1
85.02916	1.8
86.06085	0.7
88.07635	1.1
90.05566	5.8
91.05471	2.4
93.07044	3.8
94.06586	1.5
95.04973	1.0
95.08612	8.0
96.04510	1.1
97.10165	2.7
98.06059	1.1
98.98476	15.6
105.07056	1.7
107.08605	3.0
109.10181	2.4
110.06046	2.4
111.02698	0.9
111.11725	1.0
113.04199	1.9
119.08586	1.0
120.08159	1.2
121.10122	1.4
123.05548	1.5
123.11720	1.3
132.06570	2.6
135.07979	1.0
135.11771	1.2
136.06200	1.4
145.10120	1.0
210.22351	1.0
210.33711	0.9
212.23801	11.9
226.25482	1.1
254.24881	3.8
266.24966	1.9
268.26520	2.3
278.24713	3.9
296.25870	9.0
314.26913	69.0
315.27420	1.4
332.27982	45.0
332.31427	3.2
333.20453	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76000	0.7
54.60794	0.7
55.05510	4.1
56.05037	11.2
58.06604	5.2
60.04513	0.9
66.69111	0.7
69.06718	0.9
69.07066	4.6
70.02711	2.8
70.06593	7.9
72.08159	51.0
73.01118	0.9
73.04033	1.5
74.06084	37.5
84.04514	9.3
84.08147	5.7
85.98444	0.6
86.09709	45.2
91.02165	3.0
91.05453	0.9
96.08135	0.9
98.21426	0.9
98.98475	8.1
101.07148	21.2
102.05574	1.1
108.08119	1.2
110.07146	1.9
110.09695	6.7
112.07613	1.5
112.11237	3.1
118.08640	2.5
120.08094	3.3
123.05552	1.0
128.10718	17.4
129.10252	9.6
132.10223	1.9
136.07581	2.2
138.09117	1.0
140.88268	0.7
142.12262	4.6
143.11795	1.8
144.06540	1.1
144.69012	0.7
152.10744	1.5
155.11789	2.9
156.10297	0.9
156.96249	0.8
157.09776	0.7
161.00922	1.3
162.07635	2.4
170.11780	0.9
171.11339	0.9
173.12869	100.0
176.95921	0.8
183.11292	1.4
187.14430	11.7
201.12354	34.2
215.13914	8.8
219.13397	9.3
231.17049	2.7
254.88791	0.9
332.21414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2182
Annotation	Ile Ile Ser
Peak:m/z	Relative Intensity
52.41364	0.3
55.05514	0.8
56.05032	0.8
57.05815	0.6
60.04517	0.9
67.05502	0.4
68.50115	0.3
69.07082	5.6
69.99934	1.6
70.06602	2.6
72.08163	7.9
74.06076	0.6
82.06571	0.5
84.04501	2.0
84.08150	4.4
85.02903	0.6
86.09712	100.0
87.10024	0.6
88.03998	1.2
91.05485	1.1
94.06568	0.6
96.08121	0.4
97.02915	0.5
98.98473	8.3
100.98894	0.4
102.05576	1.9
106.05066	0.6
108.08156	0.3
110.07195	0.8
111.09195	0.5
116.07130	0.4
118.08677	0.6
120.08131	0.9
121.06559	0.4
123.04776	0.4
123.05554	2.5
127.08717	0.7
129.10262	2.4
130.06519	0.4
132.10228	0.7
136.06216	2.5
136.07182	0.3
142.08678	1.3
147.11308	0.4
148.06113	0.3
151.40268	0.3
156.07773	0.5
157.01955	1.0
157.09740	0.3
157.13367	0.6
169.09741	0.5
170.08221	0.4
173.09262	1.7
176.98993	0.9
185.12904	0.5
187.10793	6.4
187.12259	0.2
191.47234	0.3
199.18076	26.5
201.08813	0.9
201.12299	2.2
215.10330	1.3
219.13429	4.1
227.17558	11.1
227.19781	0.6
229.11888	0.4
247.10910	0.4
256.18384	0.3
286.11871	0.4
304.16663	0.8
314.20859	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
56.05043	4.5
56.96574	0.9
58.06609	0.7
58.58635	0.7
58.99575	0.6
59.28385	0.6
62.84389	0.7
64.79912	0.8
67.05518	0.9
69.03434	2.0
69.07072	1.4
69.13969	0.7
69.51070	2.2
69.51488	3.0
70.05790	0.7
70.06598	7.2
71.06955	0.6
72.08154	2.9
73.01147	100.0
73.02941	1.2
74.00667	14.9
74.06042	0.9
78.24004	0.8
78.96770	1.7
79.05489	1.0
81.03432	0.9
81.07084	1.1
82.06601	0.9
83.06101	4.1
84.04510	66.7
84.08144	6.4
85.02900	7.0
85.13974	0.8
86.09702	6.7
91.05495	3.1
92.01717	1.5
95.08640	0.7
97.02901	1.3
102.05570	2.0
103.05482	1.0
104.98351	2.8
106.99884	58.0
110.07168	1.7
110.94003	1.3
112.93555	2.2
113.04255	2.7
114.03782	0.7
115.03839	1.1
115.05452	0.7
116.05394	0.8
116.07111	1.0
117.03374	0.8
120.01173	14.5
120.08105	4.4
120.97828	1.4
127.03954	2.2
129.06630	1.3
129.10265	3.4
130.05023	14.9
133.02899	2.9
135.04454	1.2
136.07567	0.9
137.05977	4.4
140.03503	0.8
145.02933	0.8
145.04987	1.4
145.06480	1.0
145.10179	0.6
149.05986	1.2
150.04103	5.1
150.05542	2.5
150.06725	1.3
153.06686	2.7
158.03745	0.8
163.03995	1.7
165.01869	0.8
168.98212	1.3
170.97768	2.1
173.06052	1.1
177.05495	0.7
177.07069	2.1
179.01968	56.0
186.02025	4.8
193.06458	0.8
194.07376	2.0
196.04628	39.1
199.07224	2.3
201.05438	6.1
205.06493	5.1
219.08167	1.2
221.06041	2.9
222.06888	2.6
232.02734	6.7
233.05957	4.8
234.06757	1.0
237.02980	1.4
237.09222	2.5
239.06845	0.8
247.07600	1.0
247.28806	0.7
249.05415	10.0
250.06302	5.2
251.07144	1.2
253.03812	1.2
262.05890	3.8
264.08008	1.9
265.08545	4.9
277.05002	1.0
278.05838	2.5
287.05515	5.6
288.05936	0.9
292.07193	4.5
293.08035	8.8
293.10968	0.9
297.11304	1.1
303.05029	1.4
307.09698	9.3
308.06339	4.1
310.08533	1.0
325.11160	12.7
325.17413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01873	1.2
55.05497	2.7
57.03430	1.5
57.07071	1.4
58.06608	4.0
58.99588	30.7
59.96717	1.6
60.27074	0.6
61.01152	39.0
61.02912	0.7
65.03943	2.4
67.05170	1.0
67.05505	13.2
68.06283	1.5
69.03429	1.7
69.07070	27.3
69.58996	4.7
70.06580	2.4
70.07840	1.3
70.99580	4.9
72.00366	1.5
73.01143	31.4
74.01918	1.3
76.02227	2.2
78.96790	0.9
79.05497	9.0
81.03413	1.7
81.07055	3.4
82.06561	1.1
82.07841	2.4
83.08621	1.7
84.04498	1.8
84.08138	1.3
85.01129	2.6
85.02908	9.8
85.06545	2.1
86.99052	1.1
87.02686	2.9
87.86147	0.8
89.00639	1.3
91.05489	1.3
93.07036	1.2
95.04957	5.0
95.08598	1.8
96.05757	5.8
97.01118	2.9
97.02892	2.1
97.06535	16.3
98.21413	0.8
99.02679	14.9
101.04243	34.3
102.96761	2.0
103.97533	4.9
104.98318	84.2
105.07039	1.3
106.99887	0.8
107.08569	1.3
109.06537	2.3
109.10149	2.2
111.02673	15.6
112.03425	17.2
113.04231	100.0
114.05041	1.8
115.02152	6.8
116.01704	1.5
116.05325	11.1
116.07087	5.7
116.98270	2.0
117.03380	2.0
118.99863	1.2
121.10144	1.6
123.08093	1.6
127.02147	2.3
127.03916	2.2
128.02863	0.8
129.03706	48.8
130.04463	12.5
130.99796	1.2
131.05273	10.6
133.01442	5.1
134.99400	0.8
136.08789	0.8
136.95479	4.6
139.11162	0.8
141.07326	1.3
142.99854	14.4
144.00607	5.7
145.01427	2.3
145.02855	5.3
145.04962	3.1
146.02184	1.9
147.02974	9.7
148.02528	0.7
152.06615	1.0
161.00914	14.5
162.02255	1.7
177.05455	9.9
177.06862	1.2
179.04898	1.5
187.23305	0.7
202.05360	6.4
205.06482	0.9
217.06358	1.2
219.07970	10.9
235.02808	10.9
251.05229	1.3
265.08212	0.8
289.18176	0.8
306.43390	0.8
307.19254	1.2
325.10770	1.9
339.40674	0.8
340.75592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
60.04528	20.9
63.09415	0.4
69.07060	1.1
70.02959	1.2
70.06599	1.4
70.23002	1.9
72.04517	1.1
84.04480	0.5
84.08160	0.6
86.09708	85.9
87.05593	14.0
95.20985	0.4
98.98486	3.2
110.09653	0.5
112.11250	0.6
117.06564	0.5
120.08122	0.9
126.47044	0.4
128.10727	10.4
132.10210	5.9
150.59991	0.5
152.81512	0.4
155.11778	0.5
173.12866	100.0
181.04874	0.7
182.05347	1.0
183.51569	0.5
201.12352	26.0
219.13379	1.1
245.18579	3.3
269.45462	0.5
281.52161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
60.04529	20.0
69.06721	0.7
69.07071	7.7
69.78044	2.8
70.06586	2.5
72.08153	1.7
73.01145	1.3
74.06079	0.7
80.80191	0.4
81.07064	0.6
84.04542	0.6
84.08152	1.4
86.09710	100.0
87.05596	9.7
91.02190	2.4
93.07027	0.5
98.98470	3.6
100.11248	0.5
102.63352	0.5
104.98324	0.7
105.06614	2.1
110.07167	0.6
110.09689	1.2
111.49283	0.5
120.08138	0.7
128.10733	11.1
129.10194	1.1
132.10216	7.7
161.00839	0.6
170.11800	0.6
173.12869	81.3
173.35480	0.5
183.11333	0.7
201.12352	21.9
219.11423	0.9
219.13412	9.8
314.20477	0.5
332.14050	1.5
332.21420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03942	0.6
53.63186	0.7
55.01872	0.7
56.96573	3.0
57.03431	1.3
60.87364	0.6
61.02919	2.5
65.03924	0.9
67.05498	2.4
69.03438	7.6
70.06587	1.6
70.37712	1.3
70.38104	1.2
71.01346	0.6
72.08155	2.5
73.02924	1.6
79.05503	0.9
81.03423	1.3
81.05763	0.8
81.07036	0.9
84.04501	1.1
84.08147	4.9
85.02913	7.0
85.08437	0.9
86.09713	3.6
87.04453	1.8
88.04017	0.6
89.08654	0.5
93.05804	1.1
94.06576	0.8
96.08120	1.6
97.02917	3.2
98.97590	1.8
99.04476	1.1
101.02367	0.7
102.04060	0.9
104.10750	1.2
106.06570	5.1
107.51900	0.5
108.08122	100.0
109.02893	1.2
109.08460	1.0
110.97536	0.8
113.79336	0.6
119.01939	0.7
120.05194	0.6
123.06821	4.2
124.07611	16.5
127.03954	1.6
128.98648	0.7
129.10263	2.5
130.10565	0.9
132.72998	0.6
134.05002	0.8
134.06023	11.1
136.07584	13.6
144.05020	0.5
149.01216	1.3
152.07074	70.6
153.07414	1.0
153.34816	0.6
154.08658	1.8
158.06664	0.9
159.11313	1.1
161.04596	0.7
164.07104	0.7
170.05188	2.1
170.08130	10.6
172.08226	0.8
173.08299	0.9
174.04346	0.7
242.07301	1.2
243.06276	0.7
254.10477	0.6
296.11163	0.6
313.52759	0.6
314.12341	40.9
332.13443	54.8
333.13486	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	331.2845
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.60875	1.8
54.79666	1.6
55.05518	9.3
56.40529	1.7
57.03436	8.5
57.07083	100.0
61.80462	1.8
67.05516	23.2
68.11698	1.8
69.07081	18.5
69.36372	14.0
70.06582	2.6
71.08640	69.3
75.04485	4.0
79.05514	2.4
81.06588	2.3
81.07069	37.7
83.04956	1.9
83.08629	28.2
85.06561	2.1
85.10195	37.7
87.22356	1.8
93.07009	2.1
95.08618	57.3
97.10188	13.7
98.20773	3.2
98.98477	81.2
98.99131	4.0
99.11809	2.0
100.98916	2.2
109.10178	24.5
111.11735	4.0
115.60899	1.7
123.11712	11.0
125.13273	3.3
128.73103	2.0
137.13249	4.9
140.01212	1.9
174.99182	4.5
176.98961	6.7
239.23698	16.3
257.24823	5.6
271.78442	1.8
282.73322	2.1
313.27399	64.8
314.27765	2.0
317.28003	1.8
331.34039	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	332.048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65507	0.5
55.01866	2.1
56.45649	0.6
58.06606	27.6
58.99591	6.4
59.96756	0.5
60.04528	0.6
61.01164	3.1
69.07071	1.6
69.86551	2.8
70.06593	1.5
72.08154	1.7
73.01147	26.3
73.02914	2.0
74.00656	2.0
76.02229	2.5
82.06569	0.7
84.08138	2.6
86.09709	2.0
86.99071	4.1
88.03989	0.7
90.03779	0.8
98.20728	0.7
98.98496	3.3
98.99023	0.7
99.02684	6.4
99.46579	0.5
104.98330	13.5
105.00095	3.9
106.97942	1.0
106.99892	6.6
107.05776	0.6
107.99391	0.5
109.14323	0.4
116.05328	9.2
120.01207	2.6
120.08105	1.6
132.49425	0.5
145.03198	31.8
147.02977	4.0
148.02486	1.0
150.19043	0.5
159.11331	0.6
162.05855	100.0
163.06151	1.2
170.06404	0.8
189.19951	0.5
194.03047	12.8
196.02669	0.6
202.08975	1.9
259.10071	0.5
268.04895	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	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.4
56.43459	1.4
57.03440	7.2
57.07081	100.0
57.59346	1.4
60.15872	1.5
67.05511	21.7
69.07068	17.0
69.65632	8.8
70.06594	2.5
71.08636	64.9
75.04490	2.6
79.05517	2.3
79.63071	1.6
81.06589	2.0
81.07064	37.4
83.08630	24.2
85.06550	1.8
85.10184	36.2
88.07627	4.6
89.06041	1.9
89.08011	1.7
89.31995	1.7
93.07030	2.0
95.08617	48.3
97.10184	10.5
98.21476	3.4
98.98479	38.7
99.11736	2.4
103.07574	1.9
106.08685	1.8
109.10165	24.9
111.11720	3.3
114.69539	1.5
123.11722	10.8
126.58803	1.7
131.58485	1.5
137.13274	5.8
143.56425	1.5
151.14790	2.3
174.99254	1.9
176.98975	3.2
221.22697	1.8
239.23698	18.5
257.24768	5.0
313.27383	60.8
313.32834	2.9
316.53448	1.8
331.34030	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	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	12.6
57.03430	7.2
57.07080	100.0
67.05510	23.9
67.07726	2.0
69.07076	18.8
69.44827	15.2
70.06587	4.8
71.08634	70.2
75.04476	3.1
79.05501	2.7
81.07062	30.9
82.69279	1.8
83.08623	23.6
85.10187	30.7
88.07626	3.4
95.08614	50.7
97.10181	11.9
98.98475	100.0
100.98891	2.1
109.10159	24.5
111.11694	5.4
113.04216	2.7
123.11720	8.3
133.11108	2.1
137.13277	5.3
165.16353	2.5
174.99251	4.3
176.98964	7.5
221.22684	4.1
239.23734	18.2
257.24808	6.8
313.27402	60.0
313.32901	4.1
331.34009	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05511	14.9
57.03439	8.7
57.07080	100.0
57.97585	1.6
67.05511	26.9
69.07076	14.6
70.06607	3.5
71.06919	2.3
71.08636	72.2
75.04503	3.3
79.05528	2.0
81.07065	32.5
81.23136	1.5
83.08626	27.2
85.06554	1.7
85.10189	38.2
88.07620	6.0
93.07027	1.6
95.08622	51.5
97.10164	11.8
98.20780	3.7
98.98475	36.7
99.11718	2.1
102.09152	2.0
106.08703	3.2
106.59916	1.7
109.10171	25.0
111.11720	3.6
113.67658	1.8
123.11707	9.6
137.13237	4.8
138.20389	1.7
151.14828	3.2
176.47578	1.8
176.98907	4.0
219.28702	1.8
221.22731	1.8
239.23721	18.1
244.14328	2.0
257.24820	7.0
313.27399	57.1
313.33044	3.6
331.30438	1.6
331.33972	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1025
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.80667	0.8
55.01879	4.9
56.05023	1.5
57.03431	2.8
60.04509	1.5
61.02928	1.3
67.01850	1.0
67.05513	1.8
68.99812	1.5
69.03427	1.0
69.07067	2.7
69.96837	4.1
70.06600	34.0
71.06931	7.2
72.08157	7.5
73.01133	0.9
74.06088	4.2
75.06418	1.4
79.05482	1.1
81.03409	2.3
81.78878	0.9
83.05006	1.1
84.04507	5.8
84.08154	16.1
85.02914	11.9
86.09714	24.2
87.10065	1.4
88.04004	1.8
91.05491	3.5
95.04971	1.8
97.02901	2.1
97.06527	1.0
98.98476	100.0
100.98862	2.2
102.05568	1.9
103.03930	2.3
109.02871	4.6
109.06498	1.6
110.07153	1.8
112.03969	1.1
115.05502	0.8
116.07081	2.1
116.99516	2.6
117.07431	0.9
119.04914	2.4
121.02872	2.0
123.04453	5.4
125.06001	2.5
127.03925	2.4
128.06285	1.4
129.10258	10.5
130.08640	1.9
136.07620	3.8
137.05989	2.7
139.03932	1.9
141.04056	0.9
141.10251	1.3
144.06551	1.2
145.06500	1.0
147.04453	9.1
147.11301	1.2
151.03906	13.7
153.05473	2.6
157.13383	1.0
161.05974	3.0
161.09247	1.2
163.03897	10.4
165.05519	6.5
169.05002	12.4
171.11275	2.3
172.11586	1.3
174.99268	3.7
175.03963	3.1
176.98947	7.6
181.04979	29.2
181.06534	1.9
183.11137	0.8
185.05943	1.1
187.03900	3.2
188.05444	0.9
188.14806	2.2
189.01859	1.1
189.05490	5.1
193.04988	41.0
194.05247	1.2
199.10796	1.6
200.11133	3.9
200.74557	1.0
201.05527	1.0
201.12378	4.6
202.05319	1.8
205.05008	6.1
207.02873	1.7
207.06532	11.3
211.06041	28.8
213.05460	1.2
217.04834	1.3
229.04976	7.4
231.06564	2.6
233.15033	2.1
234.15276	2.1
235.06030	36.9
240.13315	1.2
241.04898	4.3
247.06042	39.2
252.99919	1.3
259.06055	18.1
265.07153	4.8
277.07086	8.7
283.95059	1.0
294.39801	1.0
295.08112	5.0
297.84937	1.0
331.09818	1.4
331.20410	4.5
332.09396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33962	1.2
55.05492	1.9
58.99583	7.3
59.17526	1.1
60.19896	1.0
61.01154	23.9
62.42386	1.1
63.00731	2.6
67.05497	2.7
69.07050	4.6
70.94743	2.3
70.95114	2.8
70.99575	3.9
72.80360	1.2
73.01147	39.4
74.01910	5.2
75.00732	2.5
75.02706	13.5
78.96793	1.2
79.05477	3.2
83.08635	7.1
85.01121	2.0
87.02682	3.5
89.00613	1.0
97.06538	6.6
98.98472	59.8
98.99125	2.9
99.02665	2.5
101.04229	9.4
104.98322	100.0
106.97891	12.9
110.54486	1.2
110.93932	5.3
111.02676	2.0
112.03461	2.3
113.04234	17.7
114.05009	1.8
115.03779	2.9
115.05791	2.2
118.99841	2.3
120.99470	2.1
123.17257	1.1
129.03699	4.3
130.04442	1.4
147.02975	54.4
149.02553	5.9
149.04521	1.8
159.11537	1.3
165.04045	41.4
167.03604	5.1
174.99220	1.7
176.98927	5.4
331.16498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99578	6.1
61.01154	26.8
67.05508	1.8
69.07057	4.1
70.81497	2.6
70.99578	2.4
72.00356	1.2
73.01144	33.8
74.01916	5.5
75.02708	12.7
79.05486	3.7
81.07084	1.3
83.08619	6.0
87.02699	3.5
96.44820	1.2
97.06536	2.2
98.98470	51.2
99.02683	1.6
101.04248	10.2
101.11803	1.0
104.98318	100.0
106.97897	4.5
110.93949	8.0
111.02675	1.4
111.47191	1.0
113.04226	14.2
113.31933	1.0
114.04993	1.6
115.05840	1.2
120.99417	1.3
129.03712	5.9
130.04466	1.8
147.02974	59.2
149.02571	2.3
149.04512	1.3
165.04048	39.9
165.05487	1.9
167.03587	2.3
169.96864	1.1
174.99149	1.8
176.98952	3.3
226.41164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.9
55.36213	1.7
56.99132	1.8
58.99580	7.4
60.04532	3.1
61.01157	29.0
61.52486	1.9
63.00733	3.4
69.07079	2.3
70.01336	4.6
70.01737	4.6
70.99564	2.9
72.90720	1.7
73.01147	42.9
74.01921	4.3
75.00711	7.3
75.02716	15.6
76.25887	2.0
77.02299	1.8
81.07065	3.6
83.08618	7.1
87.02699	7.0
98.02014	2.1
98.21437	2.4
98.98475	64.1
100.98913	3.6
101.04232	6.0
104.98323	100.0
106.97903	24.8
112.03432	2.3
113.04248	15.0
114.05060	4.0
115.03849	2.3
118.99922	3.4
120.99462	2.8
137.66956	2.0
147.02985	66.3
147.04166	3.9
149.02539	13.9
156.28171	1.8
165.04066	46.9
167.03593	7.6
174.99333	3.9
176.98973	5.3
180.99940	2.9
220.11058	2.0
244.19977	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	331.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
55.05500	1.3
55.98141	0.7
56.05024	0.9
58.06599	6.3
58.99585	6.2
59.96732	1.0
60.04524	1.3
61.01154	11.5
61.83384	0.7
61.92587	0.7
65.03938	0.8
67.05490	2.3
69.07064	2.0
70.06596	6.1
70.26314	3.4
70.99570	1.3
72.00348	0.9
72.08141	1.3
73.01144	15.6
74.00676	1.2
74.06076	0.8
76.02236	6.5
76.03986	1.1
77.00559	0.7
78.96783	10.2
81.07052	2.1
84.04522	4.2
84.08138	2.8
86.09715	4.8
86.95824	0.7
86.99033	1.0
87.39500	0.8
93.07024	2.1
95.04929	1.1
95.08630	0.8
98.98469	100.0
99.02673	10.6
100.98897	1.9
101.04260	1.4
104.98319	69.0
105.06968	0.9
107.08603	1.0
107.93131	0.7
109.10169	1.4
110.93954	21.5
112.04007	4.2
112.07600	1.1
113.04229	4.1
116.01685	5.8
116.04552	1.5
116.05322	20.5
116.07085	10.4
116.99503	2.6
118.99882	8.4
120.08089	0.9
124.76837	0.7
129.03702	1.3
129.10231	1.5
131.21190	0.9
142.99876	1.3
144.01164	1.6
146.11810	1.4
152.98624	11.0
157.13373	1.1
162.02238	4.5
174.99200	4.0
176.98975	6.4
179.04855	4.0
202.05330	14.1
219.08017	18.5
221.07736	2.9
241.05034	0.8
252.99820	0.8
254.99484	1.0
271.09579	1.7
299.08975	1.3
330.26437	0.7
331.08069	3.1
331.11911	4.2
331.16360	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	330.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72181	1.3
58.99593	12.5
59.96732	1.8
60.04531	1.5
61.01162	5.6
63.94465	1.1
64.88788	1.2
65.03946	2.0
67.05511	7.5
69.07070	23.1
69.57545	4.9
69.57953	2.3
72.00353	1.1
73.01139	12.7
74.96389	1.1
75.02679	1.2
78.96787	6.3
79.05499	11.0
80.25919	1.1
82.61348	1.2
85.01145	2.8
87.02691	2.9
88.03468	4.5
90.01385	1.2
95.04969	4.0
96.05768	4.5
97.01150	1.3
97.06539	30.7
98.01870	2.0
98.98472	10.0
99.02698	8.2
100.03484	1.2
101.04253	27.1
104.98313	11.2
110.93957	68.1
111.02676	12.5
112.03436	7.5
113.04237	100.0
114.05022	3.0
115.02157	4.0
127.02201	2.0
129.03711	55.3
130.04497	19.1
130.99835	2.7
131.05270	3.9
132.00668	1.6
142.99863	3.5
144.00571	2.2
147.02960	5.6
161.00851	5.5
164.98595	2.9
165.04063	4.8
174.97083	2.9
192.98094	1.4
240.98601	2.0
249.45596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99590	8.4
59.96711	1.7
60.24822	1.3
61.01136	2.8
66.46142	1.4
67.05489	4.8
68.06264	1.6
69.07069	19.1
69.92464	5.9
73.01143	10.3
78.96733	3.2
79.05509	7.7
85.01135	3.1
85.01669	1.2
88.03454	2.5
90.01403	2.0
95.04942	3.3
96.05730	3.6
97.06534	21.2
98.98470	19.7
99.02683	3.6
101.03632	1.8
101.04247	21.3
104.98299	3.8
110.93179	1.7
110.93952	37.8
111.02679	15.0
112.03421	8.7
113.04234	100.0
114.05016	1.4
115.02152	3.7
115.07522	2.4
120.00564	1.4
127.02140	2.3
129.03708	37.2
130.04489	16.5
130.99892	2.4
131.05252	5.8
142.91051	1.3
142.99802	3.8
144.00629	10.0
145.01447	1.8
152.94907	1.3
160.99727	1.1
161.00897	5.9
163.02528	1.5
168.63995	1.2
174.97008	2.8
176.98888	1.8
240.98442	11.3
263.91281	1.2
283.90451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
55.94490	1.3
57.07073	1.5
58.99603	10.3
59.96718	1.5
60.04505	2.0
61.01156	14.7
63.00708	1.8
67.05500	7.7
69.07066	17.3
70.06593	2.2
70.15110	5.7
70.99568	1.4
73.01146	21.3
74.01915	2.3
75.00713	2.5
75.02692	5.9
78.96778	2.2
79.05496	8.6
81.07027	2.5
83.08627	4.3
84.08133	1.6
85.01100	2.8
87.02688	1.7
95.04987	2.2
96.05735	2.5
97.01124	1.6
97.06533	15.4
98.98476	100.0
99.02670	7.1
100.98902	2.1
101.04243	16.6
104.98318	42.5
106.97903	9.4
108.02131	6.4
110.93962	35.7
111.02662	7.0
112.03433	6.1
113.04238	63.7
114.05054	2.6
115.02163	4.1
115.03781	2.3
116.99500	1.4
118.99805	1.8
120.99412	2.3
121.10112	1.5
127.02116	2.4
129.02820	2.3
129.03714	32.7
130.04497	12.0
130.99774	2.4
131.05251	2.7
134.03627	3.1
135.04417	4.0
136.01567	3.6
137.02399	4.0
142.99831	2.9
144.00601	1.8
147.02971	20.1
149.02505	3.4
154.02649	3.9
161.00905	1.7
164.98575	1.6
165.04063	13.9
167.03593	2.1
174.99196	3.6
176.98927	7.6
198.87402	1.3
200.85966	1.5
240.98436	1.6
242.05745	3.6
262.34088	1.5
270.05246	26.9
292.05585	1.5
295.10901	1.4
298.04703	26.9
298.07822	2.6
315.04990	3.2
316.05737	11.0
330.26419	5.2
331.08118	67.2
341.90955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05499	2.7
57.03440	1.5
58.99592	10.7
59.96721	1.8
60.04506	2.0
61.01145	13.9
62.99073	1.3
64.16939	1.5
65.18530	1.4
67.05506	7.2
68.06288	1.9
69.06718	2.0
69.07067	23.0
70.06564	2.4
70.80730	4.0
70.99577	1.6
72.00381	1.7
73.01141	22.7
73.66468	1.7
74.01900	2.3
75.02689	6.7
78.96765	6.1
79.05491	8.1
81.07041	3.1
83.08621	1.6
85.01113	3.9
87.02682	4.2
93.07045	1.3
95.04960	3.7
96.05739	5.1
97.06538	28.2
98.98471	100.0
99.02695	7.9
100.98878	3.2
101.04245	26.8
104.98316	46.0
105.99700	1.4
106.97871	2.6
110.93958	51.9
111.02670	9.8
112.03448	5.0
113.04233	67.7
113.69894	1.3
115.02133	5.8
116.99519	2.9
124.44383	1.3
129.03699	44.2
130.04485	18.2
130.99831	3.7
131.05257	4.6
136.95523	1.7
142.99792	1.8
147.02972	24.2
158.99471	2.0
161.00911	3.3
164.98555	1.9
165.04037	17.6
174.96988	2.0
174.99300	2.4
176.98898	10.0
177.74095	1.7
252.99617	2.5
273.01288	1.6
289.27527	1.4
330.26364	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17270	0.5
54.41922	0.5
55.05513	2.7
55.05732	0.6
56.05026	1.5
57.03186	0.7
57.03440	7.2
57.07068	0.6
58.06600	0.8
58.99591	0.9
60.04530	17.4
63.91632	0.6
67.05508	6.2
68.05043	3.1
69.07073	3.4
70.06593	8.3
71.04977	2.0
71.24964	1.0
72.04523	3.9
72.08156	0.8
74.06084	0.8
78.22066	0.5
79.05477	1.8
80.05014	0.9
81.07056	5.9
82.06570	1.5
82.07278	0.6
83.08605	1.5
84.04488	1.3
84.08125	3.1
85.06541	2.0
86.09717	1.2
90.05537	1.5
93.07043	2.9
94.06568	8.5
95.08614	6.7
97.06498	0.8
97.10159	0.8
98.06052	1.9
98.98471	37.4
99.02674	0.8
99.25553	0.7
105.07044	1.3
106.60613	0.6
107.08572	2.5
109.10143	2.2
113.04249	1.7
116.99514	0.9
119.08504	0.7
120.08056	0.7
121.10167	1.4
123.11678	0.9
129.03668	0.9
129.10283	0.6
133.10152	0.9
149.13286	1.0
155.20415	0.6
174.99229	1.7
176.98914	2.4
203.17996	0.8
217.41396	0.6
226.21721	1.7
229.06424	1.9
238.21669	22.5
240.23175	0.9
256.22742	13.4
264.23206	4.3
266.24664	1.7
276.23206	5.6
294.24359	7.4
298.56393	0.6
312.25327	8.7
315.08179	0.7
330.26401	100.0
331.26807	2.2
344.96567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Morusimic acid D
Peak:m/z	Relative Intensity
50.23782	0.4
50.64510	0.4
53.72869	0.5
55.01867	0.8
55.05508	2.8
55.12144	0.4
56.05029	2.0
57.03433	2.8
58.06594	1.1
58.99605	0.6
60.04530	17.3
63.05846	0.5
65.03960	0.5
67.05169	0.6
67.05507	6.3
68.05032	3.9
69.03409	0.9
69.07064	3.2
70.06593	7.6
70.39496	1.9
71.04991	2.4
72.04507	1.2
73.01127	1.2
74.06052	0.7
79.05512	2.7
80.05011	1.1
81.07064	8.1
82.06589	1.1
83.06104	0.5
83.08607	1.7
84.04504	1.1
84.08150	6.1
85.06514	0.9
86.09685	1.2
90.05540	1.6
91.05492	1.3
93.07040	2.9
94.06570	9.1
95.08607	7.7
96.08128	0.7
97.06502	0.6
97.10178	0.7
98.06062	2.3
98.98472	36.1
99.02663	1.0
99.08064	0.7
100.02182	0.6
105.07012	0.9
107.08558	2.2
108.08112	0.9
109.10139	2.6
112.04019	0.8
113.04253	1.0
116.01672	1.7
116.07088	1.2
116.99510	1.1
117.61653	0.5
119.08561	0.9
120.08147	0.6
120.89107	0.5
121.10134	2.1
123.11713	1.4
126.03750	2.4
127.04517	0.8
135.11702	0.6
147.11620	0.6
168.06627	0.5
174.99274	1.1
175.99423	0.5
176.98915	1.7
183.05864	2.4
200.37982	0.5
202.05376	0.9
203.04890	0.5
208.05240	5.3
215.04826	0.7
229.06454	5.8
233.01749	0.5
236.04752	1.1
238.21667	20.9
240.23230	1.1
252.23238	0.5
254.05743	1.9
255.08073	0.9
256.22726	13.7
257.04456	0.8
264.23285	5.5
265.21555	0.8
266.24796	1.9
269.08121	3.8
272.06665	0.6
276.23279	5.3
282.05405	0.6
286.12155	1.5
294.24310	6.7
312.25327	9.9
315.05124	0.5
315.08591	9.9
330.11002	12.1
330.26392	100.0
331.11505	0.6
331.26791	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	330.2639
Annotation	Morusimic acid B
Peak:m/z	Relative Intensity
55.05506	2.0
57.07052	1.2
60.04528	100.0
61.77249	0.6
67.05490	2.0
69.03432	0.7
69.07069	1.4
69.50890	4.2
72.04523	5.5
79.05489	1.9
81.03439	0.7
81.07053	2.6
83.05005	1.2
83.08595	1.3
85.02879	0.9
91.05468	0.9
93.07033	1.5
95.01297	0.5
95.08582	1.9
96.04467	0.7
97.06532	1.0
97.10176	0.9
98.98469	37.7
100.98844	0.8
105.07027	1.4
109.06479	0.8
109.10124	0.7
113.04218	1.0
119.08526	1.2
121.10163	0.7
126.05518	0.7
135.08023	1.2
174.99243	1.4
176.98885	1.5
235.59096	0.6
240.43495	0.5
246.53772	0.5
247.20644	0.9
253.74281	0.6
256.84476	0.6
259.20721	1.0
266.24863	0.6
276.23285	1.2
277.21631	1.2
289.81262	0.6
294.24298	4.8
312.25317	12.4
330.26416	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	330.2639
Annotation	Morusimic acid D
Peak:m/z	Relative Intensity
53.03955	1.0
54.03463	3.7
55.01869	1.1
55.05524	8.1
56.05044	6.9
57.03431	2.4
57.07074	7.0
58.06588	1.3
60.04536	2.0
67.01868	3.0
67.05503	6.6
68.05042	1.7
69.07077	8.0
70.06585	2.9
70.45851	1.2
70.46175	2.2
70.95860	1.1
71.08633	3.2
72.04520	2.3
72.93779	1.7
72.99470	1.0
74.02452	1.0
74.06071	5.3
74.29939	0.9
79.05495	3.8
79.54057	1.0
80.05020	2.0
80.45632	1.1
81.07069	5.0
82.02956	1.9
82.06577	2.2
83.01346	1.4
83.03724	2.7
83.08611	3.2
84.04508	3.2
84.08147	1.6
86.06087	1.6
87.04463	3.0
88.04009	1.0
88.07594	1.2
90.94869	1.6
91.05481	4.5
93.07058	3.6
94.06542	1.1
95.04979	1.4
95.08612	3.5
96.04499	14.8
97.10176	3.6
98.06071	1.3
98.98474	95.9
100.03367	2.1
100.03989	30.0
100.98888	2.2
102.05552	1.2
105.07025	3.8
109.10171	1.6
110.06045	3.3
112.04005	1.2
113.04172	1.2
114.05550	6.8
116.99538	2.1
117.07073	1.0
119.08604	1.8
120.06593	1.8
120.08124	1.1
121.10193	1.7
122.09647	1.9
124.07611	1.8
126.05542	1.8
130.05009	14.1
168.06554	1.4
172.42987	1.0
174.99249	4.4
175.99574	1.4
176.98953	6.0
183.17477	1.0
212.19821	1.0
227.64130	1.0
238.25487	1.5
242.16315	1.4
252.99850	1.5
255.23206	2.5
256.26324	1.4
264.23318	2.6
266.24719	1.9
270.15756	4.3
276.23178	1.3
282.24292	52.9
283.24619	1.2
294.24265	4.0
312.25342	100.0
328.85266	1.1
329.11984	4.0
330.13773	4.4
330.26404	45.6
330.30054	8.7
330.33640	2.8
331.13504	4.7
331.26492	1.8
341.59402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	Morusimic acid D
Peak:m/z	Relative Intensity
53.03950	0.9
55.05516	4.6
56.05032	2.0
56.16582	0.8
56.64373	0.6
57.03437	2.0
57.07084	5.4
58.86012	0.9
60.04530	4.6
60.80529	0.8
67.05514	6.4
69.07082	4.6
70.06588	3.2
71.08624	2.2
72.04541	2.0
73.02912	0.9
74.06087	2.2
79.05486	2.4
79.49021	0.8
80.05018	1.9
81.07060	4.7
82.06599	0.8
83.08613	2.6
84.04509	2.6
84.08133	1.5
85.02920	1.6
85.10209	1.1
85.83734	0.7
86.06026	1.0
87.04485	5.3
88.07641	2.0
91.05483	2.3
91.52544	0.9
93.07038	2.4
94.06577	1.4
95.08615	3.5
96.04523	1.7
97.10202	0.9
98.06055	1.2
98.98477	100.0
100.03979	1.4
100.98901	1.9
101.06036	2.0
107.08637	1.1
109.10158	3.3
110.06039	0.8
110.09635	0.8
112.03975	1.3
116.99525	3.5
119.08586	1.2
121.26028	0.9
126.05511	1.5
140.14516	0.9
156.92154	0.8
168.06592	1.0
170.72832	0.9
173.11734	5.4
174.99226	5.5
175.99600	1.2
176.98941	6.2
187.03183	1.0
210.22194	1.0
252.99789	1.5
256.26196	4.0
266.24826	2.0
268.30066	1.0
277.21649	0.9
282.24292	1.5
284.25754	2.2
294.24329	5.5
294.27310	1.1
312.25391	5.6
323.23563	0.9
330.26453	66.5
330.30032	9.4
330.33505	3.0
337.31708	0.9
353.66989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.9
56.05006	0.6
57.05815	0.9
58.38361	0.4
58.99590	0.4
60.04524	1.0
60.74966	0.3
67.05524	0.3
69.07072	2.0
70.06597	4.7
70.94552	0.7
72.08160	100.0
73.08507	0.4
76.02231	0.5
81.07056	0.4
84.04513	1.7
84.08148	5.1
85.08468	0.4
86.06113	0.4
86.09711	29.1
87.10050	0.6
88.04000	1.3
89.37248	0.3
91.05475	0.6
93.07036	0.3
98.98472	21.3
100.07623	0.6
101.95406	0.6
102.05547	0.4
109.10222	0.3
110.07167	1.2
112.08776	0.4
115.80622	0.3
116.07105	0.9
116.99489	0.4
118.08685	0.4
120.08152	1.2
121.10178	0.3
129.10271	3.1
130.05037	0.5
130.06482	0.4
132.10210	1.7
144.01199	0.4
168.06560	0.4
171.14938	30.6
174.99249	1.2
175.99640	0.4
176.99039	1.0
185.16498	12.4
198.11342	0.4
199.14436	15.2
213.16013	4.8
216.12289	0.7
217.15593	1.3
219.29854	0.3
223.09721	0.4
229.15541	0.4
231.17043	3.4
252.24734	0.3
253.00055	0.4
284.16757	0.6
315.08847	0.5
330.06891	0.9
330.10992	0.9
330.17178	1.5
338.87216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2024
Annotation	Pro Thr Ile
Peak:m/z	Relative Intensity
55.05501	0.6
56.05045	1.9
58.06599	0.9
67.05514	0.7
68.05051	0.6
69.07074	1.1
69.72329	2.0
70.06596	100.0
72.08163	3.4
74.05666	0.5
74.06085	8.9
81.07073	0.4
84.04512	1.8
84.08148	6.0
86.06095	0.3
86.09709	9.9
91.05495	0.7
96.01543	0.4
98.98472	15.5
100.11280	0.4
101.07153	1.5
102.05570	0.8
110.07171	1.8
112.08801	0.4
112.11298	0.3
116.01685	0.4
116.07091	6.4
116.07845	0.5
119.04963	0.4
120.08124	1.4
126.03787	1.1
126.09193	1.1
129.10249	2.9
130.08719	0.5
132.10233	3.2
136.07591	1.1
141.10193	0.5
142.06926	0.3
142.12292	0.6
143.11739	0.5
147.04396	0.4
153.10316	0.6
155.08226	0.5
156.07758	0.7
156.10190	0.6
171.11288	11.9
174.99254	0.9
176.98956	1.3
177.99744	0.3
181.05049	0.8
181.09760	1.6
183.05965	0.8
187.14415	6.0
193.04945	0.6
197.12961	1.1
199.10782	15.5
201.12401	1.4
211.06078	0.5
215.13913	1.9
217.11897	0.6
229.06514	2.3
229.15468	0.6
233.14972	9.8
235.06099	0.5
243.13509	0.8
247.06151	0.5
286.12265	0.9
312.19400	1.0
330.07596	0.3
330.11304	1.6
330.20236	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	329.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.7
58.99583	9.1
59.24823	1.3
61.01156	27.1
69.07077	2.6
70.99570	1.3
71.00136	3.4
73.00735	1.9
73.01148	34.7
74.01913	3.3
75.02702	10.2
79.05468	2.6
81.07049	4.3
82.41198	1.4
83.08627	11.3
85.01163	2.4
87.02690	4.4
89.00629	1.9
89.99731	1.5
94.64407	1.3
98.98475	100.0
99.02680	5.2
101.04243	8.3
104.98327	94.2
104.98911	1.5
106.97907	4.3
108.92424	2.1
112.03437	3.9
113.04249	25.2
114.05016	6.0
115.05853	7.5
116.98278	4.4
116.99519	2.0
118.99891	13.7
120.99444	1.5
133.43787	1.4
145.01419	7.1
147.02986	44.7
147.30414	1.5
149.02519	1.6
149.04510	1.6
163.02484	3.9
165.04070	30.4
174.99284	7.6
176.98946	4.9
179.00224	6.0
259.30988	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.1
58.99589	3.9
59.96740	0.5
60.99160	0.5
61.01153	11.3
63.00732	0.7
65.03945	0.4
65.61318	0.4
67.05502	1.1
69.07077	2.1
70.06569	0.4
70.99574	1.1
71.17899	0.6
71.18223	0.5
73.01145	13.8
74.01916	1.3
75.00723	0.7
75.02711	3.6
75.20859	0.4
77.01580	0.4
79.05521	1.8
81.07058	2.0
81.39827	0.4
83.08634	4.0
85.01144	2.0
86.09715	0.4
87.02689	1.7
89.00608	0.9
95.04983	0.6
97.01113	0.6
98.98473	100.0
99.02676	2.4
100.98886	0.8
101.04253	2.9
103.03848	0.4
104.98322	34.3
106.97898	3.5
108.92374	0.8
111.02680	1.8
112.03461	3.1
113.02279	0.8
113.04237	16.4
114.03059	0.7
114.05013	1.5
115.03809	4.3
115.05790	2.3
116.98299	1.9
116.99505	2.1
118.99870	5.0
120.99458	0.7
129.03729	1.3
130.04474	0.4
131.03253	0.6
131.05244	0.4
140.01070	0.5
142.99879	0.7
144.00668	0.6
144.99466	0.9
145.01398	2.3
146.02206	0.4
147.01123	0.8
147.02979	15.8
149.02571	0.5
149.04581	0.8
155.24803	0.4
161.00955	0.6
163.00487	0.7
163.02493	1.5
165.04044	8.7
174.99231	8.2
176.98906	4.2
179.00160	1.9
180.99695	0.5
235.02884	0.6
237.02428	1.7
251.00269	0.8
252.99806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66108	1.5
52.89961	1.8
54.83377	1.9
55.05499	6.5
58.99600	8.1
61.00876	2.4
61.01155	30.3
67.05528	1.8
69.07067	3.1
70.44971	5.4
73.01146	40.7
74.01905	6.0
75.02722	11.2
79.05489	4.6
81.07064	4.5
83.08615	9.0
85.01127	3.8
87.02681	6.4
89.00592	2.1
93.66365	1.8
98.98474	90.1
99.02677	5.7
101.04240	7.4
104.98322	100.0
106.97894	3.2
111.02715	1.9
112.03501	2.3
113.04250	22.8
114.05008	6.4
115.05798	6.9
116.98318	5.1
118.97888	1.9
118.99864	12.9
120.07195	1.8
124.12674	1.8
134.87885	1.9
145.01384	3.9
146.02203	1.9
147.01857	3.4
147.02979	53.8
149.04515	3.5
163.02498	5.0
165.04066	31.9
174.99213	5.3
176.98924	3.5
179.00218	5.6
298.08899	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.6
57.05814	0.7
60.04520	0.8
69.07068	2.0
70.06595	39.7
70.10736	2.3
72.08157	70.8
74.59122	0.7
79.46214	0.7
79.52976	0.7
82.27490	0.7
84.04495	1.1
84.08141	3.1
86.09706	65.0
95.06133	1.3
98.98472	49.7
109.02921	0.8
110.07162	1.0
111.42434	0.7
116.07095	100.0
120.08131	0.7
174.99193	3.8
176.98952	1.5
185.16498	39.4
195.11292	0.8
201.12384	4.5
205.77373	0.7
213.15988	18.3
215.13936	1.2
220.09137	1.2
223.30679	0.7
229.15486	3.0
230.31094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50802	2.3
52.73642	2.0
55.66452	2.0
57.03436	5.0
59.34343	2.4
62.99067	7.9
63.10396	2.5
63.99852	4.0
69.03432	16.9
69.07056	2.9
70.06587	9.8
70.99538	5.4
72.08164	8.6
77.87605	2.0
78.96774	9.1
79.05507	2.1
79.90171	2.1
80.69334	2.1
83.01354	10.6
84.04492	2.8
84.08143	6.5
85.02917	21.8
86.09705	8.3
86.22781	2.0
95.01340	31.5
95.04967	6.7
96.97820	72.9
97.06515	4.0
98.98472	100.0
109.02952	2.5
113.02446	2.6
121.06587	4.0
123.04420	3.9
125.06001	30.9
127.03936	5.1
129.10266	2.9
141.05608	2.0
143.07083	2.9
151.03885	11.9
153.05467	23.2
166.08627	3.0
167.03392	2.9
169.04962	4.0
174.99298	4.5
177.05437	2.7
195.02902	5.3
197.04433	6.3
213.03958	34.5
215.05510	41.6
231.14699	2.5
275.00403	2.6
293.01474	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	328.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.9
55.05518	1.9
56.05043	1.2
57.03441	2.0
58.06594	1.3
59.05006	29.4
60.04535	4.4
61.02918	1.4
63.46151	1.0
69.03445	1.4
69.07074	3.4
70.06599	17.5
71.54456	1.5
72.08163	22.7
73.06561	49.9
81.03412	1.2
84.04519	3.4
84.08147	19.6
85.02916	4.7
85.08516	1.2
86.09711	63.3
87.10045	2.7
88.03994	1.0
91.05481	3.3
95.01340	1.2
97.02894	1.9
98.98473	100.0
99.08134	1.2
109.02887	1.7
110.07176	2.8
110.93935	1.9
112.08758	1.1
116.07099	27.1
116.99523	2.0
117.03357	2.0
117.09132	5.7
119.04984	1.3
120.08110	5.9
127.03988	1.3
129.10251	10.4
130.05060	1.2
131.10701	4.7
132.10222	5.4
136.07574	9.8
142.08675	1.0
145.02859	4.8
148.07602	2.4
149.05975	1.0
149.11748	26.7
149.12959	1.4
151.98381	2.2
166.08638	2.6
167.03642	1.3
167.65564	0.9
169.05031	1.6
174.99243	10.1
176.98953	3.3
177.05487	9.0
185.16499	14.8
190.08635	2.9
199.98544	1.1
201.12396	1.9
211.00691	1.1
213.16075	5.7
215.13956	2.9
218.70828	1.0
252.40572	0.9
328.15497	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03952	5.1
53.04158	0.9
55.01879	1.9
55.05500	3.7
56.46635	0.9
57.07074	2.4
59.56586	0.9
65.03956	1.0
67.05509	7.8
68.85101	0.8
69.07060	3.9
70.93716	1.3
70.94041	1.4
77.03944	1.8
79.05497	5.1
81.07072	8.4
83.08625	1.4
91.05482	12.9
93.07053	17.6
95.04980	23.8
95.08611	14.1
97.06565	5.7
98.98473	100.0
103.05480	1.0
105.04523	1.5
105.07035	14.9
107.08594	10.3
109.06529	3.4
109.10150	5.3
115.05444	1.1
116.99515	1.6
117.07016	4.2
119.08587	15.8
121.06506	3.8
121.10142	8.1
123.08051	2.6
123.11716	1.4
128.06236	1.3
129.07034	2.4
130.07816	1.6
131.08586	6.2
133.09221	1.4
133.10147	13.3
135.08064	2.0
135.11681	2.0
137.09615	2.8
141.06932	1.7
142.07790	4.0
143.08578	4.8
144.09303	1.2
145.10123	12.1
147.11678	3.2
149.09550	1.1
152.06221	10.9
153.07011	7.6
155.08571	2.1
156.09334	1.2
157.10167	6.9
158.10851	1.2
159.08026	1.3
159.11707	10.8
161.09631	1.9
161.13223	1.2
168.05739	2.6
168.09474	0.9
169.06505	1.8
169.10167	3.6
170.10994	1.0
171.11726	4.5
173.13292	4.4
174.99251	12.1
175.01511	1.3
175.11279	0.9
175.14830	4.7
179.08566	0.9
181.10104	1.5
183.11699	4.0
185.13239	1.8
187.11243	1.4
187.14807	5.1
194.10829	1.0
195.11726	1.1
197.13266	2.0
199.14870	2.2
201.16324	1.2
209.13290	2.4
211.14862	1.6
215.02525	1.6
221.13177	1.1
227.14342	1.2
228.09369	1.7
229.15662	0.9
233.03632	10.4
235.14848	1.2
243.17624	1.0
251.00180	1.8
251.04735	5.3
309.22308	2.0
327.07822	36.7
327.23273	3.3
328.08167	2.0
337.40128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	1.2
56.96566	10.6
57.03429	3.5
69.03418	3.3
69.34992	1.2
70.02958	9.2
70.06577	5.7
71.54233	2.5
72.08150	3.1
73.02908	2.0
78.96788	1.5
84.04484	1.8
84.08136	5.5
85.02894	4.4
86.09699	4.2
88.03987	1.6
92.50932	1.3
97.02861	2.4
98.97601	13.0
98.98470	85.0
101.00877	12.7
110.07173	7.2
110.97570	1.9
111.07515	2.2
113.00880	6.8
114.63125	1.2
115.02445	1.1
115.03947	1.9
116.98636	7.1
116.99395	1.7
119.01151	1.5
119.01936	25.2
128.98549	2.3
129.10258	2.8
130.93321	1.4
131.01921	22.9
134.99620	3.1
136.07623	2.0
137.02959	3.0
143.01901	4.3
145.07555	1.3
149.02982	2.9
150.05524	1.4
153.01486	2.1
155.01904	10.4
157.03470	11.1
161.02948	11.3
162.61235	1.6
165.05504	1.6
166.07214	1.8
167.01944	2.5
171.02493	28.4
172.94339	3.4
173.02962	17.9
174.97774	2.2
174.99188	10.6
175.04457	3.2
180.98453	1.8
182.03096	1.5
185.02985	12.2
186.04420	2.7
189.03584	100.0
190.95393	2.5
191.04015	2.4
192.98601	1.4
195.02528	6.5
197.10385	2.8
206.35258	1.8
207.00391	1.5
207.02473	5.7
213.03580	66.0
213.05598	3.8
214.03851	1.7
214.95447	3.2
215.03989	4.4
225.03595	28.0
227.05061	4.6
231.04626	43.9
232.04942	3.4
232.96469	16.1
233.05070	18.4
237.03499	4.5
243.04605	7.2
246.09215	1.5
249.03542	3.6
250.97523	8.3
250.99933	2.3
255.04648	11.2
267.04684	3.2
285.05603	2.1
303.06924	2.0
312.60760	1.6
327.06705	55.5
327.12555	3.7
327.17755	1.6
328.03571	2.1
328.07016	1.8
345.07803	5.2
345.13242	2.4
346.04947	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	327.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26094	3.0
53.91575	2.5
55.05507	11.4
58.99598	5.3
61.01155	19.6
68.47552	2.4
69.07082	4.0
71.04160	5.0
73.01147	22.8
74.01945	2.5
79.05499	4.0
81.07066	5.9
83.08626	13.8
85.01147	5.2
89.00623	6.0
96.62424	2.3
98.98473	100.0
99.02679	12.6
101.04266	3.7
104.98318	55.9
108.92381	3.8
111.02657	4.7
112.03435	5.6
113.04238	40.6
114.05045	12.7
115.05803	17.1
116.98331	7.8
118.99865	26.0
119.07533	2.4
145.01411	11.2
146.02162	3.6
147.02948	15.0
163.02475	6.3
174.99245	11.5
179.00209	10.6
243.48024	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	327.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.0
58.99575	12.7
61.01155	31.7
69.07082	5.3
71.04118	12.4
73.01151	45.3
78.28772	4.2
79.05510	9.1
81.07075	10.9
83.08614	19.8
85.01140	7.3
85.41737	4.0
89.00626	4.7
93.34100	4.4
98.97850	9.1
98.98471	100.0
99.02679	13.3
101.04261	9.7
104.98327	90.7
108.92402	5.8
111.02708	5.5
112.03465	8.6
113.04234	45.6
114.04979	29.1
115.05810	24.0
116.98286	13.1
118.99883	42.0
137.02538	4.6
145.01462	21.4
146.02243	7.0
147.02988	27.9
163.02463	7.3
174.99237	7.4
179.00201	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	327.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	18.2
58.99601	16.3
61.01163	30.7
67.05513	4.9
69.07058	5.6
70.44150	9.4
73.01151	42.3
79.05488	8.2
81.07043	8.9
83.08624	19.8
85.01128	12.1
87.02699	3.7
89.00634	5.0
98.97866	4.4
98.98483	75.5
99.02682	14.9
101.04248	12.5
104.98329	80.2
106.97897	3.4
108.92436	6.4
111.02658	11.7
112.03481	19.0
113.04246	100.0
114.05050	13.3
115.02144	3.2
115.03826	7.6
115.05801	18.0
116.98295	14.0
118.99881	43.4
129.03683	8.4
142.99847	12.6
145.01390	16.4
146.02255	4.6
147.03006	23.7
161.00883	6.6
163.02467	10.5
174.99194	9.3
179.00160	19.7
216.76186	3.0
235.02805	13.9
237.02298	4.8
237.04445	2.9
259.16354	2.5
294.24356	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	327.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44477	0.9
55.05481	0.9
58.99584	10.7
59.68894	0.9
61.01147	1.7
65.03933	1.3
67.05505	5.2
69.06723	1.5
69.07069	19.1
70.44742	3.5
73.01144	12.0
77.96019	0.9
79.05460	2.1
87.02673	1.5
90.01397	1.2
95.04971	2.0
96.05733	3.9
97.01109	1.4
97.06531	11.1
98.98469	100.0
99.02686	5.8
101.04243	17.6
104.98301	4.2
105.99070	1.8
111.02662	11.6
112.03455	11.6
113.04227	24.1
115.02151	2.6
116.99503	2.1
124.11100	1.0
127.02085	1.5
129.03709	18.6
130.04501	6.1
131.05269	4.3
133.01407	4.6
142.99879	9.6
148.03775	2.2
161.00941	10.5
174.99219	12.7
175.22269	0.9
237.04303	5.7
251.00066	1.9
273.66138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.6
57.07085	1.1
58.99597	24.8
61.01146	2.5
65.03941	2.9
67.05514	8.9
68.06277	1.4
69.07077	44.1
70.61166	2.5
70.61532	1.9
72.08101	1.1
73.01149	22.5
74.01907	1.7
78.96736	1.2
79.05457	2.4
82.00750	1.1
85.01167	1.7
87.02702	1.2
95.04990	2.9
96.05755	8.1
96.92388	2.3
97.01120	2.8
97.06549	16.6
98.98480	100.0
99.02702	11.6
101.04256	34.2
104.98311	6.5
105.99106	6.0
106.99883	1.9
111.02670	18.3
112.03456	15.6
113.04243	33.2
115.02168	3.4
116.99548	1.8
127.02094	2.7
129.03725	36.4
130.04514	14.3
131.05264	7.7
133.01442	9.2
138.97031	1.2
142.99875	13.2
148.03760	3.5
152.06226	1.1
161.00943	18.6
174.99234	10.6
237.04417	0.9
249.79210	1.0
290.70358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03928	0.3
54.05462	0.2
56.96558	1.2
58.87347	0.3
69.03429	0.9
70.06580	0.7
71.29546	0.6
72.08163	0.3
73.01133	0.3
84.08134	1.2
85.02923	0.7
85.56802	0.3
86.09703	0.7
91.05469	0.6
97.02892	0.4
98.97603	0.3
110.07175	0.5
117.05698	0.5
118.06546	3.4
129.10243	0.8
133.07611	4.0
136.07578	0.4
145.07613	100.0
146.08440	2.0
147.09157	0.8
150.05508	1.0
150.06622	0.4
159.40337	0.2
163.08672	58.4
187.87804	0.3
226.99088	0.3
265.26028	0.3
325.13947	77.9
326.14240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48349	0.8
56.96578	5.2
65.04041	0.9
69.03428	2.4
69.85019	4.4
70.02950	1.6
71.95262	1.1
73.02919	1.4
74.55882	0.9
91.20938	0.9
97.02905	18.9
98.97588	17.4
98.98482	3.1
101.00900	4.7
102.96867	1.1
113.03506	17.1
116.98637	12.6
119.01937	23.6
120.02013	3.1
120.97887	1.5
121.01685	5.1
134.99666	5.5
137.02966	5.1
142.03526	4.8
155.22435	1.0
160.04599	1.1
177.00970	16.5
178.01067	3.6
179.00786	4.1
181.00505	1.6
201.00967	1.4
203.00545	1.0
207.20982	0.9
210.26042	0.9
211.00793	0.9
214.95615	1.2
217.04100	3.2
219.02019	19.9
219.03970	1.7
220.02127	3.2
221.01785	10.0
222.01900	1.1
223.01566	8.9
225.01048	2.1
227.95410	1.1
228.61426	0.9
236.00133	3.1
238.95552	1.8
239.96104	1.0
242.99007	1.1
243.02000	8.9
256.96628	14.5
257.96899	4.9
258.96436	7.0
259.00009	2.3
259.96530	1.9
260.00131	6.9
260.96219	2.6
261.03079	100.0
262.03201	8.2
263.02963	3.3
273.94806	1.5
274.94415	2.5
274.97653	4.6
275.04755	1.0
275.44025	1.2
276.91974	5.0
276.97501	2.2
277.00729	1.1
278.01144	5.8
279.00455	1.2
279.98401	2.1
283.00021	2.2
284.00128	17.1
284.04697	2.8
284.99893	4.4
287.27319	1.7
288.92123	1.6
292.95331	1.4
293.27441	1.9
293.61099	1.3
293.94397	1.8
294.61426	1.3
294.93286	4.1
299.28128	3.1
299.61282	1.3
299.94763	2.3
301.01041	2.6
302.01151	22.8
302.97247	6.7
303.00906	4.5
303.04050	1.9
308.98285	2.0
309.42752	1.7
309.92807	1.9
310.89304	1.0
310.96304	1.2
311.46143	11.5
311.92883	1.6
311.96027	10.7
312.45953	5.5
312.95956	1.9
314.95642	1.1
316.95694	1.8
317.93362	1.9
318.43536	2.9
318.93140	4.5
320.43307	1.9
320.46924	2.1
320.96677	3.2
322.96948	1.2
326.94080	1.1
329.44318	3.5
329.94458	2.4
330.44165	1.6
330.93152	2.9
334.91791	1.1
344.02383	6.9
345.01740	1.5
348.94214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82317	0.3
52.53187	0.3
53.03952	2.1
55.01876	2.3
57.03442	2.6
57.76359	0.3
58.99603	0.3
59.04989	0.4
60.04520	0.3
61.02910	1.0
69.03436	14.8
70.06602	1.7
70.67622	0.9
71.01340	0.9
71.05002	5.2
72.08144	0.7
73.02910	1.0
79.05478	0.3
81.03424	16.8
84.04493	1.6
84.08147	2.5
85.02895	1.2
86.09708	2.6
91.05482	0.9
96.28016	0.3
97.02861	0.7
99.04456	6.7
103.05443	0.3
106.97964	0.4
110.07155	0.8
116.04991	0.4
117.05522	1.7
118.06547	6.1
120.08061	1.0
123.39855	0.3
124.07589	0.4
129.10268	1.5
130.04987	0.5
137.05984	0.9
145.02812	0.4
145.04962	0.4
145.06555	0.6
145.07607	7.1
145.08794	0.4
147.05608	0.3
147.09180	7.5
150.05478	0.6
158.46111	0.3
159.09100	0.8
161.07120	0.6
162.07887	1.0
163.03925	1.7
163.08682	1.2
164.35532	0.3
170.08138	0.7
173.07117	12.2
175.07332	0.5
175.08693	5.7
177.06935	0.6
190.07394	0.4
191.08168	100.0
192.08498	0.8
194.07317	0.4
199.08752	0.4
201.05510	0.8
203.08176	0.4
205.06516	0.7
205.09749	0.7
213.10292	0.5
215.08229	0.4
215.11728	0.4
222.06822	0.5
229.44269	0.3
231.11333	0.5
233.05951	0.8
233.09203	1.1
234.06703	0.3
243.11279	0.4
249.05449	0.5
250.06329	0.6
261.05292	0.3
264.07956	0.4
265.08594	0.9
271.10809	0.4
278.05566	0.4
289.11813	1.4
292.07306	0.8
293.08109	1.3
307.09702	1.9
307.12878	31.1
325.10672	2.2
325.13980	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
53.40297	1.7
55.05513	2.9
57.03438	5.9
57.07077	2.9
61.01150	2.5
61.02934	12.1
62.66159	1.8
69.03426	18.2
69.07076	3.5
69.87530	7.9
69.87959	4.3
71.04997	2.2
71.78570	2.4
73.01135	2.6
73.02926	5.1
79.05501	5.4
81.03412	7.1
81.07056	3.2
84.19528	1.9
85.02911	100.0
87.04440	2.0
88.07644	3.0
91.03965	7.3
91.05517	3.0
92.65229	2.0
93.07062	3.6
95.04970	2.8
95.08640	3.9
97.02890	22.2
99.04453	3.7
104.98294	2.6
105.07028	4.8
107.08566	3.0
109.02882	9.0
113.04218	5.7
119.08591	3.7
124.54328	2.2
127.03906	21.1
129.03728	3.7
131.66763	2.2
132.52040	2.0
136.17035	1.9
143.08553	2.2
145.04968	20.9
145.10138	4.3
149.02357	4.8
150.05516	3.0
157.10155	3.5
161.13203	2.8
163.06010	6.2
164.76628	1.9
169.10158	2.1
171.11777	2.4
183.11742	3.0
193.04996	9.2
247.59871	1.9
249.16333	2.6
264.01389	2.5
325.21548	13.1
325.25964	14.8
325.76358	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91953	1.3
55.01861	2.7
57.03439	4.4
61.02934	8.1
63.67880	1.9
69.03438	20.0
70.06593	7.4
70.85889	3.4
71.99488	1.6
72.08155	3.1
73.02927	3.2
73.39429	1.4
75.39479	1.5
81.03429	4.9
84.04514	2.1
84.08150	4.5
85.02917	100.0
86.09719	4.5
91.03967	2.3
97.02912	18.8
99.04467	5.2
109.02885	9.1
110.07198	1.9
127.03936	21.2
129.10262	2.9
141.20218	1.6
145.04990	21.9
150.05537	5.5
150.09674	1.9
163.03989	3.0
163.06061	4.9
249.23950	1.5
293.08148	1.7
307.09659	1.7
320.75955	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.5
61.02932	5.6
69.03428	15.1
69.04802	1.4
69.46378	3.2
69.46698	12.7
70.06590	4.8
73.02931	1.8
81.03423	6.7
84.04490	2.4
84.08155	2.9
84.42224	1.5
85.01048	1.7
85.02911	100.0
86.09726	3.1
91.03974	3.2
97.02904	18.1
99.04480	4.7
106.19979	1.7
109.02864	7.9
110.52164	1.5
120.08137	2.4
127.03921	18.7
129.10326	3.6
145.04982	20.5
150.05518	8.3
163.04118	3.2
163.06055	5.4
216.99951	2.0
236.26158	1.7
279.78259	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54346	1.1
55.01862	1.5
57.03440	3.9
57.99224	1.5
61.02937	8.9
69.03134	1.5
69.03442	16.6
69.64630	1.4
69.93619	1.2
70.06589	3.9
70.84423	1.6
70.84768	2.3
73.02914	3.3
81.03431	6.4
84.08145	2.6
85.02914	100.0
86.03221	1.3
86.09741	2.2
87.04491	2.2
91.03953	5.5
97.02912	18.0
99.04440	3.5
109.02926	8.3
111.87380	1.3
123.51183	1.1
124.35015	1.2
125.95170	1.4
127.03930	20.6
129.53221	1.3
145.04979	26.0
150.05522	3.2
163.03937	2.0
163.06065	6.7
235.66023	1.4
286.34979	1.8
348.20010	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01867	2.3
55.05505	3.0
57.03428	3.1
57.07064	1.8
58.06590	2.2
58.99590	47.7
59.96722	1.5
61.01155	49.5
61.02911	2.4
62.99066	1.0
65.03946	3.9
65.94467	0.8
67.05166	1.3
67.05508	16.2
68.05045	0.8
68.06286	2.0
69.03440	4.4
69.07072	46.7
69.92759	3.7
70.06592	2.6
70.07857	0.9
70.99581	7.0
71.04961	0.8
72.00369	3.3
73.01146	40.9
73.02924	1.9
74.00648	1.3
74.01928	1.7
75.02692	1.2
78.96780	0.8
79.05064	0.8
79.05497	10.6
81.03416	2.4
81.07052	4.2
82.07832	3.0
83.04991	1.1
83.07326	0.9
84.04500	1.6
84.08138	2.3
85.01133	3.1
85.02909	27.6
85.04027	1.0
85.06545	1.4
85.49916	0.7
87.02694	4.5
88.02232	1.9
89.00607	1.1
90.01408	1.1
91.03975	0.8
91.05492	1.4
93.07037	1.3
95.04982	5.6
95.08611	1.6
96.05764	10.3
97.01131	3.3
97.02899	5.2
97.06538	35.6
98.20802	1.0
98.62170	0.6
99.02681	17.5
99.04484	0.9
101.04250	53.9
102.96791	3.8
103.72543	0.7
103.97556	8.2
104.98322	85.4
105.04407	0.7
105.07059	0.8
106.99898	1.3
107.08601	1.9
109.02864	2.3
109.10195	3.8
111.02676	23.3
112.03434	13.8
113.04237	100.0
114.03768	2.0
114.05063	1.0
115.02169	9.5
115.05803	2.6
116.01698	1.8
116.05352	4.9
116.07103	4.0
116.98286	1.5
118.99857	1.6
119.08614	0.9
121.10178	1.5
123.08091	1.0
125.04245	0.8
127.02171	3.6
127.03938	5.3
128.02902	0.8
129.03711	84.7
130.04457	21.2
130.99847	1.1
131.05278	14.1
133.01414	8.0
136.95494	6.0
141.07338	1.2
142.99850	14.7
144.00665	3.5
145.01439	4.9
145.04985	6.5
146.02231	1.4
147.02982	0.9
148.02533	1.1
151.05817	0.9
152.06572	1.8
161.00920	16.0
162.02226	1.2
163.02528	1.2
163.03874	0.7
163.06065	0.8
177.03314	2.4
202.05412	2.4
203.05617	1.1
217.06441	5.5
219.08046	6.8
233.38449	0.7
235.02881	3.1
251.05284	4.6
254.45723	0.6
325.10580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01380	1.2
52.78551	1.2
53.03935	1.9
55.01871	4.9
55.05503	6.7
57.03432	5.0
57.07076	2.6
58.06603	4.7
58.99592	39.3
61.01155	45.0
61.02937	6.1
65.03938	3.4
66.04314	1.2
67.05510	17.5
68.05041	2.0
68.06303	2.0
69.03432	14.5
69.07074	62.9
70.06583	4.0
70.16643	1.1
70.31512	4.0
70.99584	4.5
71.04967	1.4
72.00354	2.5
73.01146	41.1
73.02932	3.4
74.00655	2.4
74.01923	2.3
76.02247	1.2
79.05486	11.0
81.03425	4.9
81.07071	9.6
82.07819	2.4
83.08639	2.1
84.04503	3.6
84.08153	3.6
85.01113	2.4
85.02911	80.1
85.06546	2.4
86.09721	1.6
87.02706	2.5
88.02219	3.1
90.01401	1.9
91.03970	3.7
91.05486	2.4
93.07065	4.1
95.04988	7.2
95.08598	5.2
96.05756	8.7
97.01132	2.1
97.02888	16.2
97.05921	1.9
97.06536	27.3
97.10137	1.9
99.02692	18.5
99.04500	2.1
101.04246	42.1
102.96766	3.1
103.97492	6.1
104.98324	73.6
105.07026	1.5
107.08603	4.5
109.02887	5.7
109.10165	4.7
111.02680	16.9
111.11717	5.6
112.03399	12.8
112.04121	1.1
113.04238	100.0
114.03754	4.3
114.05028	2.3
115.02159	6.9
115.05804	2.2
116.01711	1.9
116.05305	8.3
116.07091	8.7
116.98341	1.6
118.99889	2.0
119.08581	2.0
120.08110	1.7
121.10150	4.4
123.08105	1.6
123.11740	1.5
127.02170	2.5
127.03930	14.5
128.66785	1.5
129.03708	66.2
129.04691	3.2
129.10216	1.4
130.04399	15.1
131.04515	1.6
131.05293	12.2
133.01454	6.4
135.11746	2.5
136.95494	3.9
137.05977	2.3
139.11137	6.8
142.99838	12.1
144.00609	2.0
145.01419	4.0
145.04959	22.4
146.02232	1.8
147.03008	2.1
148.02547	2.9
149.13329	1.4
150.05536	2.3
157.12360	2.2
161.00909	16.8
162.02214	3.3
163.06050	4.6
177.03284	3.6
202.05357	5.6
205.06480	1.4
217.06442	10.0
219.07941	11.2
222.06622	1.7
233.06088	1.7
235.02919	3.4
250.06363	1.9
251.05173	7.5
265.08643	2.1
279.10440	1.5
289.25522	2.1
291.08206	1.5
293.08002	2.2
307.09705	3.4
307.26346	2.1
314.28226	1.3
325.10941	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	325.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
57.85131	0.2
65.03940	0.3
67.05511	2.1
69.03435	0.4
69.46558	1.3
76.27821	0.2
79.05479	0.5
84.04525	0.4
84.08142	0.5
85.02911	1.4
94.06570	8.4
97.02905	0.4
98.21464	0.4
106.06561	3.3
117.09103	0.5
121.84296	0.2
122.06036	7.3
124.07564	0.4
127.03941	0.4
129.10263	0.3
133.07605	0.5
134.06021	3.1
136.07564	1.1
138.05510	0.6
145.04929	0.4
148.03931	2.1
149.07109	4.3
150.05513	100.0
151.05846	1.2
151.08670	3.6
152.07050	2.5
153.40222	0.2
161.07138	1.5
162.05518	0.5
163.03943	0.5
163.08704	0.3
166.04939	0.4
168.06566	2.4
174.27211	0.2
177.06624	0.7
178.07382	0.4
179.08154	2.0
189.05179	0.2
189.06570	1.4
207.07693	0.3
217.06123	0.8
233.05576	1.4
251.06534	0.5
325.10330	3.1
325.13849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0419
Annotation	Uridine 2'-phosphate
Peak:m/z	Relative Intensity
53.03927	0.7
55.05502	1.2
57.03416	0.5
57.07084	0.6
58.99590	16.4
59.04961	0.4
59.96704	0.6
61.01155	19.3
62.21324	0.5
62.99063	0.5
63.16386	0.4
65.03935	1.9
67.05510	8.5
69.07071	14.8
69.07455	0.7
70.07880	0.6
70.13798	1.9
70.99577	2.2
72.00361	1.5
73.01144	14.1
74.01927	0.7
76.71049	0.4
79.05495	6.3
81.07041	0.9
82.07842	1.5
85.01144	1.4
85.06544	0.8
87.02693	1.9
89.00622	0.6
95.04976	3.5
95.54327	0.5
96.05755	4.1
97.01120	3.3
97.06538	11.2
99.02680	8.7
99.03312	0.5
101.04248	18.3
102.96785	0.9
103.97530	2.6
104.98322	33.6
105.04546	0.6
105.07057	0.7
107.08608	1.3
109.10155	0.9
111.02665	19.8
112.02663	1.0
112.03457	20.7
113.04234	100.0
114.05074	0.6
115.02145	4.4
116.98300	1.4
118.99880	1.6
121.10152	1.4
125.04263	0.5
127.02164	1.8
129.03708	29.3
130.04494	8.6
130.99815	0.6
131.05266	7.2
133.01427	3.0
134.99429	0.6
136.95477	2.3
141.07315	0.9
142.99860	19.5
144.00635	7.4
145.01392	2.4
146.02187	1.0
152.06499	0.5
161.00905	15.8
161.02209	0.9
163.02493	0.6
183.02960	0.7
199.33066	0.5
235.02814	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.042
Annotation	Uridine 2'-phosphate
Peak:m/z	Relative Intensity
58.99590	27.6
61.01156	21.7
61.22638	4.0
63.25897	3.6
67.05497	8.8
69.07073	31.3
70.72796	4.4
70.73127	7.0
73.01154	27.4
79.05488	12.7
79.21335	3.7
87.02675	4.5
91.65044	3.5
94.07502	3.4
95.04973	5.4
96.05714	7.0
97.06543	22.7
99.02675	9.8
101.04254	33.1
103.97537	6.9
104.98310	46.6
111.02700	17.6
112.03471	21.1
113.04234	100.0
115.02162	4.5
129.03714	50.8
130.04478	13.9
131.05249	7.1
142.99852	13.7
144.00612	8.0
159.52986	3.7
161.00917	17.3
183.21156	3.5
235.02814	7.4
311.87186	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01865	1.3
55.05512	3.6
56.05047	0.8
57.03431	1.9
57.07070	1.9
58.06594	2.0
58.99589	42.1
59.09725	0.6
59.96730	0.9
61.01155	45.7
61.02921	1.2
62.99064	0.9
65.03937	4.0
65.69595	0.5
67.05165	1.1
67.05508	18.6
68.05018	0.8
68.06269	2.1
69.03431	3.7
69.07072	45.2
69.74203	1.9
69.74593	1.7
70.06580	2.2
70.07844	0.9
70.99585	5.2
72.00357	2.8
73.01145	34.3
74.00671	1.1
74.01929	1.7
78.93983	0.6
78.96800	0.8
79.05495	10.2
81.03421	1.8
81.07051	5.7
82.07837	2.2
83.04972	0.9
83.08607	1.3
84.04500	1.0
84.08150	1.9
85.01138	3.0
85.02419	1.2
85.02910	16.8
85.06548	1.7
87.02697	3.7
88.02214	1.1
89.00608	1.8
89.43103	0.6
90.01413	0.8
90.09306	0.7
91.05482	1.4
93.07037	2.1
95.04974	6.1
95.08604	3.8
96.05750	8.6
97.01120	2.5
97.02896	3.8
97.06536	29.6
97.10132	0.7
98.21446	0.7
99.02683	15.9
99.04476	0.8
99.08140	0.7
101.00586	0.7
101.04248	51.2
102.96744	2.4
103.97534	9.5
104.98322	80.3
105.07029	1.4
107.08598	2.6
109.02863	1.4
109.10167	4.9
111.02674	17.9
111.11691	1.3
112.03434	14.0
113.04237	100.0
114.03788	1.4
114.05077	1.2
115.02172	7.9
115.05809	0.7
116.05329	1.9
116.07092	2.2
116.98315	2.4
118.99870	2.0
119.08542	0.7
121.10147	2.1
123.08118	1.0
123.11681	0.7
127.02130	3.1
127.03931	5.0
127.05833	1.2
129.03708	72.1
130.04463	19.5
130.99837	1.2
131.05281	14.2
133.01427	8.8
134.99417	1.2
135.04405	0.7
135.11772	0.9
136.95468	7.0
137.05943	1.2
139.11168	2.3
141.03629	0.8
141.07373	1.2
142.99854	12.1
144.00597	4.2
145.01395	3.8
145.04967	4.4
146.02257	1.6
147.03044	1.4
148.02484	1.1
149.08145	0.6
150.05695	0.7
151.05699	0.8
152.06628	1.7
153.12752	0.9
161.00906	18.3
161.02205	1.2
163.02470	0.7
163.03862	1.0
163.06068	1.3
169.06862	0.7
173.06117	0.7
177.03285	0.9
183.02997	0.9
186.03169	1.1
190.04979	1.4
201.05563	1.4
202.05382	1.1
205.06551	1.3
217.06448	2.7
219.07986	2.8
233.06099	0.9
235.02879	2.7
237.10298	1.0
250.06367	0.9
251.05038	1.3
264.08093	0.7
265.09470	1.1
287.76376	0.7
297.12357	1.3
307.09988	1.0
307.26117	1.0
325.11444	4.1
348.37140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35037	3.5
58.99593	46.8
59.45404	4.0
59.82005	4.5
61.01154	52.6
65.03917	5.5
67.05511	22.9
68.72112	4.0
69.07067	52.0
70.71073	5.1
70.71381	5.8
70.99570	6.8
73.01140	50.0
79.05498	10.2
81.07069	5.7
83.97960	3.7
95.05009	8.0
96.05741	17.7
97.01101	4.1
97.06536	39.1
99.02676	18.2
100.70486	4.0
101.04247	68.5
103.97521	11.9
104.98317	96.8
111.02665	25.5
112.03442	15.4
113.04234	100.0
114.05069	4.9
115.02180	12.5
116.98310	8.1
118.99880	12.3
127.02121	10.0
129.02811	7.7
129.03716	98.6
129.04688	6.6
130.04480	27.0
131.05237	14.6
133.01421	11.2
136.95509	10.9
142.99864	7.8
144.00699	4.4
145.01416	7.6
147.02975	5.1
161.00897	60.8
216.87192	4.8
274.88239	3.8
298.48361	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	325.0419
Annotation	Uridine 2'-phosphate
Peak:m/z	Relative Intensity
54.08545	1.7
58.99591	35.8
61.01157	35.3
67.05518	15.3
68.06280	3.0
69.07073	36.6
70.99570	5.4
71.32001	3.6
72.46832	1.8
73.01146	27.6
79.05489	7.7
82.07852	1.7
87.02685	2.6
87.46526	2.2
95.04973	3.6
96.05753	7.4
97.01137	2.0
97.06546	23.7
99.02679	11.5
100.49422	1.7
101.04249	50.0
101.26477	1.8
102.96774	3.2
103.97524	5.9
104.98322	74.7
111.02662	18.3
112.03458	14.7
113.04238	100.0
113.58247	1.9
115.02156	9.3
129.03711	70.3
130.04495	20.6
131.05293	15.1
133.01407	7.9
136.95535	6.4
142.99864	16.1
144.00653	5.4
145.01414	2.7
146.02191	2.4
161.00920	18.4
176.47697	2.0
235.02792	2.9
251.10696	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99334	3.0
58.99593	43.7
61.01151	44.8
64.06240	2.4
67.05519	15.5
69.07072	41.3
70.99569	4.9
71.26332	5.6
72.00333	3.4
73.01146	38.1
76.00254	2.3
79.05496	11.7
83.23289	2.5
85.01118	4.1
95.04984	4.2
95.08575	2.7
96.05743	6.4
97.06549	26.5
99.02676	16.1
99.95284	2.3
101.03647	4.0
101.04255	50.7
102.96751	3.1
103.97527	6.5
104.98325	83.6
107.38272	2.4
111.02681	22.1
112.03461	18.2
113.04240	100.0
115.02148	5.4
115.05788	2.8
127.02137	3.3
128.02931	2.7
129.03714	77.0
130.04486	22.3
131.05273	14.4
133.01393	9.2
136.95499	6.0
142.99846	16.2
145.01436	5.7
146.02335	3.7
156.39084	2.3
161.00943	18.2
183.76389	2.4
235.02776	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	325.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78207	2.2
56.33298	2.2
58.99593	26.1
61.01154	28.8
65.03949	2.6
67.05511	13.1
69.07071	27.9
70.46516	8.5
70.99577	5.3
73.01147	36.6
79.05486	11.4
85.01111	5.0
87.02654	3.2
95.04971	5.8
96.05744	5.8
97.01141	4.5
97.06554	27.1
99.02704	14.3
101.04248	34.1
103.97539	3.9
104.98326	45.9
107.08601	6.3
109.03929	2.4
111.02673	24.2
112.03438	19.3
113.04237	100.0
115.02164	7.5
116.61856	3.0
116.98215	4.2
119.08591	3.1
121.10142	7.8
127.02162	4.9
127.05798	2.6
128.02933	9.5
129.03712	45.4
130.04468	9.9
130.99857	5.2
131.05316	12.8
133.01421	5.3
136.08766	2.6
142.99855	17.2
143.08989	3.1
144.00635	12.0
145.01399	5.8
149.98367	2.5
153.07362	2.6
158.99356	4.1
160.00180	3.0
161.00912	12.3
169.06828	4.7
176.12399	3.0
235.02762	7.5
303.43460	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	325.042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01874	1.1
55.05507	2.1
57.03442	1.8
57.07071	1.2
58.06606	2.9
58.99593	36.0
59.96727	0.7
61.01158	42.4
61.02916	0.8
63.03191	0.5
65.03948	2.6
65.38769	0.6
67.05509	14.4
68.06278	1.5
69.03430	1.8
69.07076	33.5
69.90789	1.8
69.91205	1.2
70.06591	2.5
70.07851	1.1
70.99580	5.4
72.00354	2.1
73.01147	32.5
74.00658	0.7
74.01916	1.1
75.52916	0.5
76.02242	1.0
78.96748	0.7
79.05502	10.1
81.07056	2.6
82.07840	1.7
83.08619	2.3
84.04504	1.7
85.01148	3.0
85.02910	11.1
85.06546	1.0
86.99021	0.8
87.02683	3.9
89.00593	0.8
90.01425	1.0
91.05490	0.8
93.07053	1.1
95.04958	4.9
95.08595	1.2
96.05753	8.6
97.01115	3.0
97.02870	1.9
97.05909	1.1
97.06541	23.4
99.02688	14.9
101.04248	43.9
102.96758	2.9
103.97553	6.0
104.98325	75.6
105.07025	1.1
106.99874	0.9
107.08603	1.4
109.10172	2.1
111.02677	18.5
112.03432	16.7
113.04240	100.0
114.05021	2.2
115.02168	6.2
115.05782	0.6
116.01677	1.3
116.05344	7.2
116.07079	5.1
116.07796	0.8
116.98322	1.6
118.99915	1.6
121.10122	1.5
123.08041	0.9
127.02168	2.6
127.03957	1.9
128.02994	0.9
129.03716	62.3
130.04480	19.2
130.05370	0.9
131.05283	12.7
133.01437	4.6
134.02194	0.7
136.95485	4.8
139.05775	0.8
141.07414	1.1
142.99864	12.9
144.00615	4.2
145.01462	3.6
145.04990	2.6
146.02205	2.0
147.02994	6.0
152.06503	1.3
153.07350	0.7
161.00923	14.7
162.02092	0.7
165.20518	0.6
179.04903	0.7
185.04637	0.5
202.05318	5.3
203.05702	0.7
217.06487	1.9
219.07968	8.0
223.77853	0.6
235.02827	6.5
250.92882	0.8
251.05284	1.5
264.30792	0.6
325.10822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00359	0.5
53.03957	0.6
55.01867	1.1
55.05516	2.3
57.03436	1.9
57.07073	1.7
58.06604	1.5
58.99590	44.4
59.96736	0.9
61.01155	46.9
61.02920	1.0
62.99085	1.0
65.03945	3.8
67.05509	16.0
68.06292	2.8
69.03440	2.8
69.07072	46.3
70.06603	1.1
70.07856	1.3
70.99588	5.1
71.26957	1.1
72.00364	3.2
73.01147	35.9
74.00656	0.6
74.01920	1.9
75.02691	0.8
78.52019	0.5
79.05496	9.2
80.06255	0.7
81.03421	0.9
81.07059	3.0
82.07845	2.0
83.05034	0.5
83.07348	0.6
84.08148	0.7
85.01141	2.8
85.02910	15.0
85.06533	1.3
87.02696	2.5
88.02235	0.8
89.00626	1.7
89.01154	0.5
90.01398	1.4
91.03991	0.8
91.05482	0.9
93.07077	1.1
94.20381	0.4
95.04962	5.8
95.08616	1.1
96.05756	9.3
97.01115	3.4
97.02883	2.7
97.05903	1.1
97.06538	30.4
99.02682	15.5
101.04249	55.6
102.96774	2.9
103.97533	9.2
104.98322	81.5
105.07043	0.8
107.08588	2.8
109.02888	1.0
109.10173	3.3
111.02675	20.4
111.11771	0.6
112.03452	16.8
112.04187	1.0
113.04237	100.0
114.03765	1.2
114.05048	1.5
115.02158	8.6
115.05818	2.3
115.07555	1.0
116.05338	0.5
116.07079	1.5
116.98292	1.6
118.99892	1.7
121.10133	1.3
122.99315	0.7
123.08040	0.7
123.11774	0.6
125.05889	0.6
127.02162	3.4
127.03912	3.1
127.05800	0.6
128.02925	1.2
128.66428	0.5
129.03709	81.8
129.91924	0.6
130.04475	21.0
130.99890	1.2
131.05287	15.2
133.01434	8.7
134.99400	0.6
136.08850	0.6
136.95496	7.1
137.09657	0.6
139.05785	0.7
141.07323	0.8
142.99860	13.9
144.00626	4.2
145.01431	4.7
145.04939	4.0
146.02246	1.3
147.02939	0.6
148.02499	1.0
152.06520	1.8
161.00916	19.9
163.02470	0.8
163.03926	0.6
163.06044	1.0
163.86053	0.5
169.06912	0.6
177.03246	0.7
217.06493	2.4
219.07912	1.0
235.02837	3.2
251.05121	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.042
Annotation	Uridine 2'-phosphate
Peak:m/z	Relative Intensity
53.03930	0.8
53.06902	0.5
55.01870	0.7
55.05521	1.5
57.03421	0.8
57.03834	0.6
57.07069	1.2
58.99590	24.1
59.96714	0.7
61.01154	26.2
64.01660	0.5
64.24950	0.6
65.03933	2.5
67.05170	0.8
67.05508	10.3
68.06280	1.3
69.03447	0.5
69.07073	26.3
70.07836	0.7
70.99625	3.9
70.99986	1.1
72.00361	1.3
73.01149	21.0
74.01935	1.0
79.05506	7.4
80.06297	0.6
81.03399	0.5
81.07063	1.9
82.07835	1.4
85.01125	2.2
85.02908	2.9
85.06551	0.8
85.98037	1.6
87.02699	2.1
89.00615	1.0
90.01390	1.0
91.05505	0.7
93.07063	0.8
94.11481	0.6
95.04993	3.5
95.08598	1.4
96.05740	5.0
97.01104	3.0
97.02932	1.0
97.06541	18.8
99.02686	9.1
101.04253	30.4
102.96770	1.8
103.97537	3.7
104.98325	46.2
105.07066	0.6
107.08593	2.0
109.10168	1.6
111.02676	16.3
111.99596	0.5
112.03458	16.5
113.04241	100.0
114.01150	8.7
114.05031	0.9
115.02178	5.0
116.07121	0.6
116.98337	1.6
118.99872	1.6
119.08561	0.7
121.10167	1.4
123.08145	0.8
127.02146	2.3
127.03912	1.1
129.03712	43.0
130.04504	13.8
131.05283	10.3
133.01439	3.7
134.99347	0.6
136.95506	5.0
139.05786	1.0
141.07320	1.0
142.99861	14.5
144.00621	4.9
145.01418	3.4
146.02200	1.9
147.02921	0.7
152.06589	0.8
158.99147	2.0
161.00919	14.4
163.03937	0.6
177.00192	2.0
183.02980	0.8
185.04626	0.6
187.02145	0.6
219.08015	0.6
220.39255	0.6
222.06937	0.7
235.02812	11.5
250.06125	0.6
251.02185	1.4
265.08707	0.8
278.05740	0.8
293.08246	1.2
307.09567	1.5
325.03854	1.5
325.10706	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65869	0.5
55.01865	1.4
60.19195	0.5
62.01432	0.5
65.58960	0.5
70.06580	1.5
71.31466	0.8
72.08154	0.7
84.04503	1.7
84.08134	1.2
85.01129	2.1
85.04845	0.5
86.09711	1.4
99.02677	0.8
104.04977	0.7
104.98325	2.7
106.06509	0.5
107.07356	0.5
118.06549	11.7
119.07336	9.4
120.08098	0.5
127.02095	0.7
128.02869	0.5
130.04993	0.6
140.05255	1.0
145.05188	0.6
150.03738	5.6
151.04536	1.0
152.05334	1.1
162.05498	1.3
163.06314	5.6
164.07019	0.8
168.04787	0.9
178.03267	0.7
191.08180	0.7
195.03285	0.5
196.04288	100.0
197.04889	2.5
205.06479	0.6
212.87457	0.4
233.06000	0.6
250.06104	0.9
260.04120	1.6
267.06543	0.7
285.10300	0.4
293.08041	0.9
307.09573	0.8
325.10675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	1.1
60.12122	1.2
67.98814	1.2
71.54805	1.8
84.08132	2.1
85.02889	1.6
85.23729	1.2
91.03311	1.1
110.92709	1.3
145.07608	2.6
153.05811	2.0
178.02663	2.1
196.03758	1.9
264.04025	2.0
307.06946	4.1
324.09586	100.0
325.10245	1.5
325.13864	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.17227	0.6
55.05502	1.4
56.70614	0.7
58.99614	0.6
67.05499	4.3
69.07065	11.3
70.95721	1.8
73.01135	0.9
79.05501	4.8
81.07056	6.7
83.04970	3.4
86.09707	100.0
91.05482	9.0
93.07049	13.2
95.04983	3.0
95.08607	2.3
97.06544	1.3
101.42866	0.7
104.46096	0.7
104.98296	1.3
105.07028	14.8
107.08599	4.0
109.06520	8.3
109.10100	0.8
111.02739	0.9
111.08069	3.2
113.04233	2.5
119.08566	4.4
121.06491	1.2
121.10158	0.9
123.08055	1.1
123.11689	0.7
127.03880	0.7
128.10724	4.7
129.03763	0.6
131.07310	0.6
131.07631	0.7
131.08533	4.5
131.22072	0.7
132.10208	29.4
133.10126	17.3
137.06064	0.8
147.11694	12.9
147.12791	1.0
149.09633	1.8
149.13287	1.3
151.07568	2.3
151.11179	41.8
151.80466	0.7
156.10303	1.0
157.10132	0.9
165.12761	2.1
175.11195	5.0
193.12228	5.3
205.04724	0.7
210.15047	0.8
222.14891	0.9
230.45633	0.7
260.20105	6.8
278.21140	28.7
306.20554	6.0
324.21738	15.6
325.10510	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	325.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11623	1.0
55.01877	1.8
55.05510	4.5
57.03412	1.3
58.06609	8.4
58.99589	11.7
61.01154	28.1
64.01657	1.9
67.05504	5.3
69.03436	2.9
69.07073	8.5
70.06589	5.3
70.99570	3.0
71.18069	2.8
73.01150	16.1
74.00715	1.3
76.02221	4.5
79.05496	4.3
81.03397	1.6
81.07071	9.6
82.06583	2.6
83.04990	1.5
83.08631	7.0
84.04510	4.5
84.08153	2.6
85.02910	12.9
85.06577	1.6
85.98033	23.1
86.09698	2.7
86.98817	2.2
87.02703	5.3
91.05477	2.7
93.07050	3.0
95.04990	1.5
95.08632	6.7
97.02885	1.9
97.06547	2.5
97.10179	3.2
99.02687	13.8
101.04250	7.7
104.98323	86.5
105.07034	2.7
107.08608	3.6
109.02851	1.3
109.10162	4.4
111.02666	2.3
111.08102	1.6
111.99580	13.5
112.03331	1.4
112.03991	4.0
113.00391	1.3
113.04234	13.9
113.99141	3.5
114.01141	100.0
115.05807	1.8
116.01662	4.3
116.05329	24.8
116.06219	1.8
116.06379	1.6
116.07080	11.7
121.06522	1.8
121.10146	1.8
123.08053	1.7
123.11707	2.9
124.07597	1.9
125.09616	1.2
127.03898	2.5
129.03697	1.9
129.10149	1.2
130.05037	2.6
132.02200	3.4
133.02869	2.2
135.11731	1.2
137.13222	1.1
142.99939	1.6
144.00653	1.3
145.04951	2.9
147.02977	28.0
147.11783	1.3
148.02512	2.3
158.99115	17.7
162.02225	4.5
163.02507	2.3
163.03972	3.9
174.98683	1.4
176.98466	2.4
177.00150	23.5
177.03346	1.1
179.04884	3.8
184.84149	1.0
184.90027	1.1
187.02255	4.9
190.05017	2.6
192.97916	1.2
194.07399	1.1
202.05353	15.5
205.06538	1.6
217.06413	2.5
219.08009	25.8
222.06769	1.6
233.01047	5.7
233.05984	3.1
250.06332	1.5
250.99875	1.5
251.02100	11.1
251.05193	3.6
251.11761	1.8
261.04144	4.1
292.07190	1.3
293.08066	3.0
297.12280	2.3
300.21030	1.6
307.09775	3.5
307.26279	1.6
325.04044	13.2
325.11060	8.5
325.21347	1.4
325.27548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.1
57.02150	6.6
58.99583	10.6
61.01138	21.4
64.01649	9.1
67.05503	21.6
69.03410	14.9
69.07082	35.2
69.22083	28.3
69.22514	37.5
70.06586	10.7
70.99577	7.6
73.01157	37.3
79.05485	15.8
81.07063	60.4
84.08165	12.1
85.06516	6.6
85.98043	35.1
86.09669	8.0
89.00598	11.3
91.05464	15.6
93.07054	17.3
94.06506	6.8
95.04976	7.0
95.08600	31.6
97.10160	13.3
99.02683	22.6
101.04247	13.1
104.98329	72.8
105.07033	16.9
107.08580	24.1
109.10150	13.3
111.02666	100.0
111.99577	71.9
112.03429	39.6
113.00364	96.5
113.04221	23.9
114.06768	7.6
115.05795	15.0
118.96005	63.2
120.76624	6.5
121.10119	13.2
123.11692	29.9
127.02102	11.2
128.98045	83.1
129.03712	8.6
130.99869	10.2
131.05226	8.3
131.08537	8.8
133.10083	11.0
134.42906	6.9
142.99837	47.6
144.00623	73.0
144.70685	8.1
145.01398	17.1
145.10110	9.5
147.02998	8.5
149.13264	9.7
152.04305	8.4
153.03442	20.6
159.01198	8.1
160.00125	7.2
161.00932	19.0
163.02464	10.5
171.11717	6.8
192.97853	95.1
217.01721	8.4
227.05269	12.3
233.00984	17.0
259.02615	19.3
277.25177	10.4
301.79199	7.8
305.24777	12.1
323.02408	55.4
323.09360	24.2
323.12933	7.2
323.19827	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	323.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79348	0.3
55.01879	4.4
55.05499	0.6
55.17756	0.4
56.05043	2.9
58.06343	0.7
58.06605	9.0
58.99591	3.6
61.01156	21.4
68.05042	0.4
69.03400	0.5
69.07066	0.9
70.02936	0.6
70.06604	4.4
70.99584	2.5
71.54605	0.4
72.08168	2.5
73.01123	0.6
73.02924	2.7
74.00273	0.8
74.00668	9.6
74.01083	0.5
79.05498	0.9
82.06584	1.3
83.05019	0.4
83.06097	1.4
84.04510	55.1
84.07069	0.5
84.08149	6.1
85.02903	1.6
85.04063	0.4
86.09709	5.3
88.04009	1.0
90.03774	1.0
91.05542	0.8
92.01688	1.0
95.04967	0.7
96.08145	0.6
98.01918	0.4
102.05564	1.3
104.98322	100.0
107.99423	2.8
110.06026	0.5
110.07173	1.5
112.04018	2.6
112.08708	0.4
113.04234	4.1
114.03796	0.7
117.99613	0.9
120.01178	8.6
120.08122	2.0
121.08431	0.7
128.07111	0.8
129.06639	0.9
129.10266	1.9
130.05008	22.9
130.99867	6.6
134.04552	0.5
136.97272	1.0
137.05972	1.0
147.04405	0.5
148.02510	3.9
153.06639	1.2
156.04767	0.5
156.06581	3.4
158.99355	1.4
160.00589	0.5
160.04251	0.4
170.08144	1.6
177.00401	5.8
177.03258	0.8
178.10509	0.5
185.14748	0.7
185.16479	0.5
186.02214	3.7
188.05661	0.4
191.08302	0.7
194.03067	39.7
196.04312	1.4
199.07173	1.7
203.05006	0.5
208.73645	0.4
211.02122	0.9
232.02744	3.6
249.05423	5.6
257.07791	0.9
260.04037	3.2
291.10193	0.8
306.04669	3.2
323.03708	3.9
323.07471	3.5
323.12827	1.0
323.19260	0.6
326.13068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93144	5.6
59.59941	6.0
69.85580	27.3
69.85989	10.9
85.12744	5.6
87.36871	6.0
93.25558	5.8
94.93026	50.9
98.21461	6.5
112.89615	14.7
192.80356	5.5
208.57355	6.1
248.89670	70.4
253.31822	6.5
276.59375	6.0
323.07388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.9934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01865	3.3
55.05505	3.5
55.93529	1.2
56.05038	2.1
57.03437	6.8
58.04226	1.6
58.99594	11.2
59.96740	2.1
61.01157	19.0
63.94442	2.9
65.03927	1.5
67.05505	2.7
67.70297	1.4
69.03417	2.1
69.07077	7.7
70.06590	8.3
70.99560	1.7
71.05008	1.6
71.54589	2.5
72.08166	12.5
73.01141	8.1
73.08477	1.4
74.00660	3.8
78.96776	1.6
79.05502	11.0
81.07068	3.5
84.04536	7.5
84.08160	10.4
85.01129	1.7
85.04041	3.2
86.09708	15.8
86.99052	15.7
87.02688	2.7
88.03986	2.5
89.86765	1.5
91.05485	5.6
92.98337	2.6
93.65609	1.5
95.04983	3.4
95.08578	2.1
96.08120	3.6
96.97835	12.4
97.06536	16.7
99.02666	2.4
99.08064	1.7
101.00609	2.1
101.19806	1.2
102.04710	1.7
103.05432	2.4
104.98322	68.7
105.03719	2.5
105.74905	1.5
105.99104	6.2
106.99898	3.3
107.99411	15.8
109.10099	1.4
110.07179	3.3
110.93958	100.0
111.02712	2.2
112.03434	3.9
113.04234	95.5
114.03790	1.4
115.05772	4.2
116.98283	1.5
119.04913	2.0
120.05211	1.3
120.08131	8.8
120.97793	37.2
121.01608	1.5
121.10131	1.6
121.98585	2.0
122.99348	3.2
125.83625	1.4
129.10242	13.3
130.05029	20.0
130.08594	2.2
130.10591	2.2
131.04633	1.2
136.95496	5.7
137.05983	2.6
145.01414	5.9
147.11343	2.1
150.97079	1.9
152.94962	3.1
155.10669	1.5
161.00929	3.6
161.05977	2.9
167.09061	1.5
168.98111	60.5
170.75240	1.5
176.98613	4.9
177.03291	2.0
184.97646	16.8
189.08519	2.3
191.08615	1.4
194.99687	9.2
201.12378	3.4
211.02074	13.1
219.08015	2.0
234.06824	1.7
235.07516	2.0
248.08272	1.4
258.99524	2.8
263.07077	2.2
263.10669	2.1
277.08597	2.0
289.06665	10.5
323.05487	3.2
323.09085	14.2
323.12897	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	322.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
55.92934	1.0
63.89196	1.0
64.56793	1.0
65.03938	1.5
67.05501	2.0
69.03432	1.4
69.07079	2.1
69.84949	4.4
69.98808	5.7
70.06593	3.4
70.99596	1.1
72.08139	1.5
73.01131	1.5
79.05468	1.5
81.07063	2.9
83.08575	1.2
84.08137	1.6
86.09731	1.5
91.04230	2.7
91.05504	1.2
93.07063	1.2
94.06602	1.4
94.99552	1.6
95.04951	2.6
95.08640	2.5
97.01105	7.2
98.99062	2.3
104.04959	1.6
107.08622	1.6
109.01111	3.0
109.10152	2.1
111.02602	1.5
113.04272	2.5
114.89129	1.1
119.08582	1.6
127.03256	1.3
129.10248	1.5
136.02164	20.1
137.02948	27.6
138.03734	17.0
139.00861	1.4
140.05316	1.5
141.00079	4.0
149.78349	1.2
152.01683	2.0
154.03275	2.4
154.26010	1.1
156.04805	2.5
159.01147	1.8
164.01662	47.2
165.02448	94.8
166.03229	42.0
169.00182	6.4
178.03203	1.7
182.02686	1.7
184.02505	3.6
184.04300	4.4
185.00528	1.2
186.10654	1.3
189.00433	2.9
192.01152	38.1
192.02855	2.2
194.02750	4.1
196.99702	6.0
202.42332	1.1
210.02199	54.7
211.02983	7.8
212.01976	23.7
212.03816	20.6
214.03580	1.4
216.10172	1.3
237.99823	1.6
240.01486	28.8
258.02563	100.0
259.02777	1.5
312.30829	1.4
322.18393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	19.6
57.25733	2.2
58.82430	2.0
59.80587	2.1
70.06587	8.2
70.71368	5.9
72.08143	4.6
78.40588	2.3
84.08137	5.8
86.09692	7.6
88.03992	2.4
100.99188	2.2
102.01029	2.7
102.44482	2.6
113.07124	7.6
119.01914	5.3
120.02003	6.3
120.08120	3.8
128.00955	2.1
134.17448	2.5
162.97395	5.0
164.98950	2.6
174.03163	2.9
175.11949	3.4
176.08131	2.2
184.75284	2.1
188.01031	4.0
190.01260	23.5
202.02515	4.2
208.97861	3.4
214.02534	2.4
216.00525	5.4
220.03680	7.9
225.20432	2.6
226.98947	6.6
230.02066	3.1
246.45580	2.3
248.03214	9.2
280.09808	3.0
322.05502	100.0
322.18750	5.8
339.63882	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05522	5.7
56.05022	1.2
57.05795	1.0
58.99576	0.8
61.01146	1.2
69.07079	1.2
69.68362	2.1
69.68779	3.5
70.06599	5.3
72.08160	98.3
73.01123	0.8
74.06082	0.9
79.05487	1.4
83.01330	1.3
84.04494	2.1
84.08157	5.5
86.09723	7.9
88.04008	0.9
91.05511	1.3
93.07041	1.0
95.04905	1.1
103.02173	1.3
103.05467	2.3
104.98313	4.0
107.04974	1.6
110.07169	1.9
110.93949	2.6
111.07328	0.8
113.04244	5.6
114.05537	1.8
115.05845	1.0
120.04790	1.5
120.08117	73.0
120.97806	2.2
121.05143	1.2
129.10251	100.0
130.04994	1.4
130.06511	0.9
130.08716	1.1
130.10579	1.1
131.04956	1.9
135.93956	0.9
147.11354	1.1
149.06013	1.2
149.07452	0.9
157.09738	21.5
166.08652	35.9
168.98091	1.8
177.10254	2.4
184.97617	1.7
191.08522	2.6
192.08788	3.7
201.12343	3.5
230.23334	1.0
271.97391	1.0
304.13998	1.8
322.18787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53180	1.0
55.05522	4.4
56.14495	0.8
57.07071	2.4
60.04527	2.1
62.06096	100.0
66.67881	0.8
66.91943	0.9
67.05512	16.8
67.49843	0.8
68.80206	0.9
69.07063	4.3
70.06598	1.2
71.14044	2.1
79.05505	12.9
80.63468	0.8
81.07065	18.4
82.07423	0.8
83.08612	1.1
85.06538	1.4
91.05486	5.8
93.07046	14.7
95.08613	14.8
97.10157	1.1
105.07040	4.5
107.08582	8.2
109.10134	5.3
117.07030	1.2
119.08585	2.5
121.10176	5.7
123.11703	2.1
131.08562	3.3
133.10133	2.1
135.11679	4.6
137.13380	1.2
140.03757	5.0
144.51221	0.9
145.10117	2.6
147.11691	1.6
149.13304	1.7
152.31071	0.8
159.11710	2.0
161.13274	1.9
163.14844	2.4
172.13300	1.5
173.13266	1.1
177.16441	3.1
187.14932	1.5
243.21114	5.9
261.22131	5.1
294.50870	0.9
304.26300	2.4
305.24689	2.4
322.27420	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
54.97842	2.0
55.01873	5.1
55.05508	4.1
60.04531	3.8
61.01151	7.0
61.05482	1.5
67.05505	2.9
69.03432	8.3
70.06596	12.3
71.03664	3.4
71.03994	2.1
71.05025	2.1
72.04532	21.9
72.08154	15.9
73.01134	6.8
78.03790	9.7
79.05491	2.5
81.03425	7.2
81.07095	2.0
83.01340	24.5
84.04494	6.5
84.08144	7.2
85.06566	2.0
86.06084	2.1
86.09711	7.3
88.02256	3.3
88.03991	2.7
91.05492	3.4
93.07011	2.3
94.06520	1.8
95.04975	5.8
95.08636	2.0
96.08116	2.1
97.02914	4.9
98.02388	1.9
99.05581	5.4
102.03762	9.6
102.05567	2.0
103.02173	32.7
108.08213	2.1
109.02886	6.5
109.10212	2.6
110.07150	6.6
113.06031	4.0
114.03761	7.6
114.05540	49.1
117.03369	3.2
118.06535	2.1
119.94643	1.8
120.04810	27.5
120.08121	10.6
122.06066	1.9
123.04436	7.3
124.07624	5.5
127.03928	3.3
129.10255	18.0
131.06389	4.3
132.04800	12.1
136.07532	2.1
142.08626	4.9
145.02823	11.5
145.83873	2.2
149.06210	3.2
149.07457	20.5
151.03925	14.7
152.07077	8.5
159.05905	11.4
166.08638	4.9
169.05002	4.6
174.05907	8.0
177.05478	16.8
180.06598	2.2
185.02605	3.7
186.95074	2.2
191.08502	100.0
195.02957	1.9
200.98517	3.6
201.07034	2.5
213.03964	13.1
216.10231	2.7
217.10973	2.6
243.11543	3.4
260.12885	5.4
267.11227	4.3
285.12354	6.2
303.13712	43.3
321.09946	7.5
321.14606	2.0
332.48221	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80806	0.3
56.96569	3.1
61.60398	0.3
65.11559	0.2
65.26828	0.3
71.53591	0.3
71.54011	0.3
71.95270	0.6
87.47126	0.3
98.97591	12.0
101.00887	0.5
107.00359	0.3
108.18618	0.3
113.03516	0.4
116.98622	8.1
119.01938	2.5
134.99652	3.4
137.02946	0.7
140.98869	0.4
142.03522	0.7
153.00722	0.4
158.99886	0.6
171.88777	0.3
177.00969	11.6
178.01157	0.3
182.99815	1.7
194.98473	0.3
201.00912	6.0
202.93497	0.4
212.92271	0.4
214.91978	0.6
214.96599	0.5
216.98767	0.9
217.98915	0.3
218.98526	2.6
219.02017	100.0
220.02142	3.3
221.02335	0.4
222.06880	0.3
230.93202	0.5
232.93057	0.6
233.03615	0.6
234.99777	1.3
235.99966	0.5
236.99532	3.4
237.01894	0.3
237.02951	0.4
238.95540	1.5
242.03638	4.6
250.94106	0.3
254.93298	0.6
255.05627	0.3
256.93027	1.1
256.96619	8.9
258.99792	0.9
260.00211	0.3
261.03052	0.6
262.95511	0.4
272.94495	1.0
274.94165	4.8
274.97668	2.1
275.97742	0.5
277.00943	1.5
278.00958	0.6
279.98264	1.1
280.96616	1.7
288.92383	0.3
290.95621	0.5
292.95233	1.9
292.97992	0.3
295.92624	0.4
298.97699	37.4
299.18875	0.3
299.94797	0.3
299.97504	1.4
304.92508	0.4
307.92786	0.4
309.24200	0.3
310.93344	0.3
316.95197	1.6
316.99094	0.7
317.43372	0.3
317.94543	0.3
319.44098	0.5
321.99280	4.0
324.92078	0.3
325.92471	1.2
326.44150	0.4
328.44193	0.7
328.94794	0.3
334.42853	0.3
334.92758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0946
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
79.73327	5.6
96.35815	5.6
98.21618	8.5
110.58142	5.2
141.06618	7.3
243.59874	5.2
300.47635	5.6
301.11691	5.3
321.09460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85784	1.2
56.05021	1.3
56.96327	1.5
56.96568	14.9
58.58546	1.5
58.99865	1.4
62.18070	1.3
66.75121	1.2
68.98280	2.2
70.06575	4.0
70.99847	2.2
71.54707	2.3
72.08144	3.6
73.08472	1.2
74.06059	2.5
76.61771	1.3
77.00911	1.5
82.99858	5.0
84.04478	1.9
84.08128	5.9
84.96034	2.9
85.01418	2.2
86.09703	2.1
86.99323	1.7
88.93771	1.8
89.00897	1.7
91.02439	2.1
97.01411	2.2
97.02903	1.4
98.97605	9.9
101.00890	41.9
101.01558	2.1
103.02431	4.1
104.33838	1.3
105.00434	1.6
110.07149	4.2
110.97565	4.1
112.99141	2.7
113.00869	16.4
115.02441	24.1
116.98615	4.9
117.04008	8.2
118.01182	1.5
119.01930	90.6
126.98769	1.7
127.02420	3.0
128.98619	3.9
129.03976	4.5
131.00252	2.3
131.01917	42.4
133.03481	34.7
135.05040	8.0
137.00832	4.2
137.02966	11.4
141.03978	3.3
141.06561	1.9
143.01904	22.2
144.99820	5.0
145.03474	20.2
146.97908	6.8
146.99683	1.6
147.01389	3.4
147.05025	2.7
147.95000	2.0
149.02950	5.0
151.04530	4.9
153.03957	2.0
154.85384	1.2
155.01910	30.7
156.02693	3.7
157.03477	10.7
158.99657	4.1
159.05049	31.5
161.02979	34.5
162.97351	2.2
163.04552	7.4
164.98940	9.7
165.00496	2.0
167.01967	1.7
168.99847	13.3
169.03377	1.4
171.01366	6.2
171.05043	39.4
173.01549	1.2
173.02986	31.4
173.06619	8.2
175.04581	6.9
177.00722	2.2
177.04610	2.2
177.06114	10.8
182.99738	1.8
183.05118	2.8
185.02974	6.0
185.06564	3.1
187.00914	24.9
187.04520	2.7
189.00865	2.3
189.02493	14.1
189.06085	21.7
191.04013	13.1
191.07666	1.9
196.99297	8.2
199.01028	1.9
201.00766	3.1
201.02444	7.0
201.04277	1.9
201.06087	15.5
203.04027	15.4
203.07658	4.4
205.01968	8.0
205.05679	2.1
213.06104	8.9
215.00368	30.2
215.02267	2.7
217.01991	2.3
219.01752	4.4
219.03528	5.1
219.07086	9.0
221.05084	49.5
229.01967	17.3
231.03462	3.5
231.07047	4.3
233.01387	4.8
233.05132	13.4
234.01057	3.0
235.06657	2.5
237.02904	2.9
239.06152	1.9
243.07127	5.0
244.06648	1.3
245.05040	4.2
247.03011	53.7
249.04501	3.8
252.02083	5.3
261.08243	62.3
265.04068	6.5
270.04788	1.5
279.09262	100.0
280.09436	2.7
289.04123	7.9
321.09879	95.2
322.10321	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	321.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01876	4.5
55.05506	2.8
57.03446	8.9
58.99591	2.5
61.01154	11.6
61.02948	2.3
67.05511	6.4
69.03078	3.6
69.03433	55.5
69.07066	9.0
70.06597	2.6
70.99548	2.2
71.03714	2.1
71.04035	3.9
71.05016	2.6
73.01144	62.0
75.00714	5.8
75.02696	3.4
76.46806	1.7
77.86703	1.5
79.05481	15.0
81.03410	5.5
81.07065	7.7
83.01347	13.9
83.04981	2.3
85.01131	2.9
85.02907	63.6
85.06564	2.5
86.09706	2.2
87.04484	2.2
91.05479	3.6
93.07066	4.9
95.01332	98.9
95.04977	18.2
95.08592	3.2
97.02910	3.5
97.06545	14.4
99.02677	2.2
99.04483	3.1
101.00590	4.2
103.03915	6.1
104.98325	19.9
106.97891	3.8
106.99872	8.3
107.04977	5.9
107.08601	1.8
109.02895	6.9
109.06527	7.3
111.02710	2.9
111.04426	1.8
112.03458	5.7
113.02399	8.5
113.04227	7.0
113.06007	6.9
116.98310	6.3
119.08598	2.0
119.72238	1.5
122.52816	1.7
123.04442	11.2
125.02396	2.5
125.05997	79.9
125.47971	1.7
127.03986	7.9
129.00034	3.6
133.10220	2.7
137.05992	13.8
141.05484	5.5
143.07048	8.1
144.99626	2.0
145.01418	17.0
145.02809	3.7
146.02220	3.7
151.03922	11.6
151.07503	1.9
153.05472	100.0
155.03438	2.1
163.02513	3.8
165.02065	2.6
169.04971	4.5
172.97058	2.2
177.05447	2.1
187.06018	3.8
197.04456	12.7
197.81499	1.7
213.03967	8.2
215.05502	65.5
227.09177	2.7
255.08693	3.0
260.98581	1.8
303.23145	3.7
321.04709	3.8
321.24136	4.0
343.53409	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96331	2.2
56.96575	29.1
58.99879	1.7
61.01136	2.1
67.05517	1.9
69.76967	1.6
70.06580	6.5
70.19272	3.7
70.98107	2.1
71.21025	1.6
72.08157	3.3
74.06081	2.9
74.97594	2.3
77.00912	2.0
79.42945	1.9
82.99878	5.1
84.08147	6.7
84.69075	1.7
84.96022	3.2
85.02914	1.9
86.09705	7.5
87.02670	1.9
87.05605	2.7
91.02463	4.2
98.21513	2.1
98.97575	7.9
101.00889	43.5
103.02398	1.9
104.05300	2.0
110.07137	3.6
110.97552	2.7
113.00883	7.4
113.07100	2.2
115.02462	14.6
116.98610	4.3
117.04004	3.2
119.01930	100.0
119.91914	3.9
128.98610	3.3
129.03966	3.3
129.10268	2.9
131.01924	24.8
133.01823	2.0
133.03481	30.5
135.05035	1.9
137.02968	16.5
142.03583	3.0
143.01923	8.9
144.99832	3.9
145.03500	8.8
146.08394	4.3
147.01363	2.3
147.05055	4.5
149.02954	6.0
151.04533	5.3
155.01907	7.2
157.03485	4.1
158.99693	4.2
159.01457	1.9
159.05035	3.0
160.12486	1.9
161.01587	2.0
161.02971	18.8
161.06683	1.9
168.99832	18.8
171.01387	7.9
171.05121	4.2
172.97865	1.9
173.02942	21.1
175.00946	1.7
175.04530	4.8
177.00729	2.7
177.02475	4.4
177.04294	2.5
179.02191	1.6
179.06024	2.2
183.01453	2.9
185.03017	4.6
187.00883	37.0
188.14816	2.1
189.02470	15.7
189.06154	4.6
190.01335	2.6
191.02324	3.0
191.03944	14.6
196.99335	8.3
201.00734	1.9
201.02443	28.8
201.06100	1.9
203.04095	3.9
205.01926	10.9
206.07095	1.8
207.99536	7.6
208.01402	3.1
213.02386	6.0
215.00377	43.2
215.03738	2.0
217.05624	2.3
219.01761	3.6
219.03540	36.1
219.06924	2.3
221.05081	4.9
223.04858	2.2
224.08015	2.7
226.00584	10.3
226.02414	1.9
229.01981	28.1
231.03654	8.7
233.01364	4.6
233.05118	20.9
237.02652	2.3
247.03014	79.8
249.04532	4.7
261.02405	2.3
261.04764	2.7
261.08383	10.3
265.04123	12.8
279.05969	3.3
279.09262	11.5
289.04059	12.6
298.18652	2.0
307.05231	2.4
321.06320	13.7
321.10242	9.6
322.05466	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	320.9601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	1.2
58.99580	3.2
60.04517	4.0
60.25354	1.0
60.44901	1.1
61.01157	1.2
66.30081	1.2
67.05505	2.1
69.07072	8.5
69.80350	1.0
70.06550	1.1
70.11414	1.1
70.84028	2.1
70.84344	1.6
78.96767	3.1
79.05487	6.6
81.07037	2.1
85.01129	1.9
91.05479	1.5
95.04944	2.3
97.01100	2.2
97.06534	4.2
99.02702	6.5
101.04285	6.7
110.93963	5.8
111.02683	7.9
112.03469	8.2
113.04237	100.0
114.05017	4.2
116.98308	1.3
117.76718	1.1
120.97784	1.1
129.03697	9.4
130.04514	5.6
131.05284	3.8
142.99887	1.8
144.00623	3.0
145.01442	10.8
163.02458	2.1
176.98703	1.7
226.96689	1.3
302.29593	1.6
320.30408	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	321.014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30762	2.9
53.33479	2.9
55.05508	7.0
57.03448	3.3
61.01154	32.0
67.05500	4.2
69.03424	8.3
69.07072	3.6
69.69789	6.1
69.70190	17.1
73.01141	43.9
74.01916	4.5
79.05512	7.7
81.07062	8.2
83.08627	4.6
85.02913	6.9
87.02692	14.1
89.04256	11.0
91.02168	4.0
92.98332	18.6
95.01335	12.6
95.04988	8.4
95.08600	5.7
97.06549	4.9
98.21489	4.5
101.04230	7.8
101.83469	3.2
104.98325	100.0
105.07069	4.8
107.08549	5.8
109.06539	5.4
109.10167	3.9
110.93957	4.4
113.04221	6.3
118.99857	5.8
121.01399	6.7
125.06007	10.7
135.11697	3.2
137.00909	28.3
147.02980	53.3
150.97110	4.0
153.05482	13.8
167.00206	8.5
177.05510	3.5
182.99231	7.2
187.06335	3.5
215.05566	3.3
295.23996	2.9
296.11536	3.5
321.24255	5.5
329.93256	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	321.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99579	7.5
61.01157	49.0
67.05491	9.9
69.03451	10.3
69.07079	7.5
70.99590	6.1
71.27310	9.1
73.01147	65.4
73.12283	5.7
81.03410	6.8
81.07063	8.8
84.08128	7.5
85.02937	7.5
87.02699	18.4
89.04261	14.7
91.02187	12.6
92.98312	26.1
93.07051	9.2
95.01340	12.4
95.04967	18.2
95.08620	8.7
101.04225	9.6
104.98318	100.0
105.07042	5.8
107.08624	8.9
109.06544	6.6
109.10188	9.9
116.98255	5.5
118.99815	5.9
121.01421	12.2
125.06006	17.3
127.36916	5.0
137.00885	28.1
147.03001	63.9
150.97052	10.3
151.21768	5.0
153.05504	13.3
167.00182	10.8
177.05418	5.7
182.99257	17.1
215.05576	6.9
249.16028	4.7
257.01144	6.9
303.23254	8.5
309.53513	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	321.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07105	1.2
51.23763	1.3
53.03947	3.0
55.01875	1.9
55.05519	7.6
56.96568	1.2
57.03445	9.4
58.99575	3.5
59.05009	2.0
61.01159	7.9
62.99070	1.5
65.03932	2.0
67.05511	11.1
69.03433	60.0
69.07076	7.1
70.06588	3.8
71.05001	2.7
71.55897	1.6
72.08170	1.6
73.01148	41.1
75.00743	1.8
79.05503	17.4
81.03418	9.0
81.07062	15.4
83.01350	5.5
83.04996	3.4
83.08617	1.7
84.04473	1.3
84.08143	2.6
85.01148	2.1
85.02914	58.1
86.09712	62.6
87.02657	1.6
87.04485	3.2
89.04268	2.4
91.05503	4.5
93.07062	6.4
95.01337	89.5
95.04978	18.0
95.08602	7.5
97.02909	4.2
97.06540	15.8
97.10147	2.2
99.02690	1.4
99.04474	2.7
101.00605	4.3
103.03954	4.1
103.05473	1.7
104.98337	11.0
105.03722	4.8
105.07047	4.0
106.99905	6.4
107.04987	4.7
107.08585	3.5
109.02896	5.9
109.06524	9.9
109.10167	7.9
111.02663	3.2
111.04442	2.5
111.99582	5.5
112.03436	7.8
113.02383	7.8
113.04223	4.2
113.06030	4.0
115.03960	1.4
116.98313	9.1
117.03404	2.4
117.07043	1.8
118.97813	1.5
119.08579	4.1
120.08118	61.7
121.02851	1.4
121.06522	1.6
121.10170	1.7
123.04445	7.5
123.11725	2.1
125.06003	71.7
127.03955	6.9
128.10725	26.7
129.00044	2.8
130.99841	1.4
133.10115	2.6
135.04453	1.5
135.11707	1.9
137.05981	12.0
137.09616	2.1
139.03844	1.2
139.11188	2.0
141.05473	3.6
142.94112	1.6
143.07072	6.5
145.01436	17.8
145.02863	6.7
145.10164	1.8
146.02203	9.9
147.02890	2.5
147.11664	2.0
149.05960	2.3
151.03926	6.1
151.07585	2.0
153.05482	100.0
156.10242	7.7
159.01147	3.1
165.09145	2.2
166.08653	30.4
167.07089	3.7
169.05020	2.2
177.05469	8.5
185.00681	10.3
187.06032	5.6
189.11186	1.6
197.04500	8.4
213.03934	2.4
215.05525	56.5
227.09183	5.5
232.00372	4.0
255.08698	5.6
303.23120	2.1
321.01071	1.9
321.04572	3.8
321.09970	4.7
321.24216	5.9
342.94971	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.96
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
58.99588	4.0
59.10368	0.5
60.04519	2.1
60.38890	0.6
61.01154	1.1
62.06073	0.7
63.95451	0.5
65.03929	0.7
66.26649	0.5
67.05502	2.3
69.06725	0.6
69.07072	7.2
70.00137	1.9
70.00557	1.0
73.01134	0.7
76.14526	0.5
78.55146	0.5
78.96780	4.3
79.05499	7.6
81.07060	0.8
85.01112	1.3
87.02695	0.5
89.00597	0.6
91.05462	0.9
92.02451	0.5
92.98321	0.6
93.07061	0.7
95.04972	1.5
95.08620	0.8
96.05777	0.8
97.06538	3.7
98.01904	1.0
99.02682	6.2
101.04240	7.2
105.07047	0.7
106.17150	0.6
109.06518	0.5
109.10157	0.6
110.84073	0.5
110.93939	6.3
111.02667	5.8
112.03445	8.1
113.04237	100.0
114.05042	5.0
115.02157	1.3
129.03706	9.5
130.04491	5.3
130.99904	0.8
131.05252	3.4
133.01378	0.7
142.99873	1.7
144.00658	2.2
145.01416	12.1
161.00929	1.5
163.02493	2.0
165.12741	0.6
176.98576	0.6
194.99713	0.8
270.02493	0.6
304.27905	0.5
310.41611	0.6
320.25845	1.4
320.30447	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22237	0.7
52.28894	0.6
52.53194	0.6
55.05522	1.7
56.04779	1.0
56.05037	12.5
60.04516	2.6
61.01153	7.2
62.71079	0.7
68.05017	2.6
69.07065	1.1
69.27380	2.8
69.27818	2.9
70.06595	56.8
71.06904	0.8
72.08152	7.2
74.06084	1.9
75.05606	0.9
83.06104	0.8
84.04496	2.4
84.08140	5.6
86.06083	0.9
86.09708	100.0
87.02708	1.0
87.10043	1.0
88.03973	0.9
88.19280	0.6
91.05492	0.7
96.04508	1.0
99.05614	0.7
102.05487	3.5
103.05506	1.0
104.05337	18.8
110.07141	3.8
113.07139	10.7
116.07102	16.5
120.08112	16.0
127.08680	17.0
129.10265	2.6
130.05075	0.8
130.06529	0.7
132.10167	1.3
133.03185	11.5
136.07588	1.6
136.41107	0.7
143.11801	72.0
146.11766	3.5
150.05846	36.4
151.06250	0.9
155.08174	11.6
158.06055	1.9
161.07442	3.3
161.11864	0.8
166.08696	0.8
171.11299	15.0
171.12709	1.0
172.11592	0.8
173.09248	2.7
175.08693	2.5
177.10220	4.4
189.06949	1.7
217.13402	0.8
221.09198	3.3
228.15654	0.7
229.06403	0.7
230.06779	0.9
263.14041	4.1
271.28671	0.7
285.12381	0.8
320.16150	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
53.03960	6.0
55.01851	7.0
55.05506	21.2
56.05018	6.9
61.01138	15.0
63.09285	6.8
67.05508	36.2
69.03425	22.4
69.07071	32.4
70.06589	12.6
72.08146	7.8
73.01140	17.5
79.05498	55.5
81.07062	100.0
83.04977	7.1
83.08627	8.2
84.08127	19.5
86.09700	6.3
91.05479	25.4
92.98365	9.0
93.07049	87.2
95.04971	23.6
95.08613	64.1
97.06541	30.5
97.10191	7.2
101.04240	10.2
104.98310	15.0
105.07032	55.8
106.97886	7.0
107.08592	73.4
109.06517	32.1
109.10145	38.7
111.02653	14.3
111.08072	14.9
112.03425	8.7
113.04244	23.8
117.07035	7.1
119.08590	39.8
120.08104	6.8
121.06503	37.0
121.10165	33.0
123.08071	19.1
123.11687	11.0
125.09567	9.1
129.07019	9.8
131.08582	14.5
133.10167	31.7
134.06123	6.2
135.04419	6.0
135.08057	36.2
135.11705	42.6
137.05978	12.1
137.09601	14.8
139.07553	6.0
139.11172	8.1
142.07768	7.2
143.08568	11.5
145.01508	7.9
145.10141	46.3
147.11681	25.8
148.08856	8.3
149.09636	12.7
149.13245	8.8
150.96945	7.6
151.11185	20.8
153.05518	10.6
157.10071	11.8
158.10959	9.1
159.11711	14.7
161.09599	16.1
161.13229	17.0
163.11157	26.1
163.14844	7.8
165.09177	12.9
171.11719	10.3
173.13245	18.5
175.11197	12.8
177.12732	6.3
185.13200	12.6
187.14743	10.5
189.10670	7.8
191.14246	11.4
193.08495	6.9
201.12666	10.7
203.14359	7.8
219.13831	23.3
219.86655	5.9
285.16656	6.6
301.11917	8.2
301.21573	56.0
319.03107	15.0
319.22723	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	319.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39689	2.1
54.32204	2.2
55.05526	2.4
56.96286	5.1
56.96562	55.5
58.99863	7.9
60.04537	3.7
69.03453	2.5
69.82619	11.9
70.06605	12.0
71.04987	2.7
72.08164	19.2
72.96052	3.2
73.01142	4.3
73.08493	2.9
74.06081	5.3
77.00902	4.0
81.03396	3.7
83.04991	2.9
83.06104	5.4
84.04518	8.7
84.08151	45.1
84.96011	10.1
85.01092	2.3
85.02909	6.2
85.08483	5.2
86.09701	23.9
86.99345	3.1
87.02703	9.8
87.10050	7.4
90.05585	2.7
92.46572	2.2
93.04536	4.2
97.01115	3.8
97.02933	4.5
98.97575	15.0
100.00112	5.7
101.00896	4.4
102.05520	2.8
102.97038	4.5
103.02454	11.9
105.00407	3.9
107.04960	2.9
110.06041	2.8
110.07173	37.9
110.97597	7.8
112.99162	8.1
113.00871	9.9
115.02422	6.7
116.07064	3.1
116.98635	10.0
118.01140	14.4
118.08704	2.1
119.01944	9.3
120.08080	4.6
121.06506	3.7
122.04110	2.4
128.98616	10.9
129.03987	7.6
129.06554	2.2
129.10249	38.7
130.08640	3.4
130.10587	4.2
131.00240	14.2
131.01907	72.5
132.10243	2.7
133.03487	13.7
134.99690	2.8
136.07605	5.0
138.05502	18.1
139.00693	4.3
139.02502	4.0
139.05890	16.5
141.04004	5.8
143.00185	3.7
143.01898	5.0
143.05458	2.5
145.01671	5.6
145.03479	9.7
146.97908	3.0
146.99655	9.7
147.01428	4.2
147.04984	4.4
147.11316	2.3
149.01183	29.3
149.02971	26.8
150.00795	3.2
151.04582	3.6
155.00159	6.0
155.01910	4.6
156.06560	5.6
156.07713	5.6
156.98097	4.5
157.01659	5.2
157.03502	32.7
157.04698	3.9
157.06923	10.5
158.99669	4.5
159.01410	13.8
159.03427	2.3
159.03851	2.7
159.05000	17.2
161.01241	4.1
161.02979	5.7
161.06534	3.1
162.99159	3.5
163.02759	4.8
164.98944	9.0
165.00691	4.6
167.02219	5.4
171.05095	8.1
172.02217	4.8
173.01231	43.4
173.02940	7.3
174.99118	16.2
175.02809	14.7
175.04530	18.7
177.00912	3.3
177.02455	80.9
177.06047	5.5
179.02347	3.0
182.99799	4.4
185.02904	19.1
187.00903	8.6
187.02750	6.0
187.04417	3.2
188.98979	5.2
189.00728	2.7
191.02249	100.0
193.00247	21.1
193.03845	3.2
194.75957	2.5
195.01851	4.1
195.03516	28.5
197.01341	3.5
200.01662	39.8
200.13989	2.4
201.00679	31.5
201.12389	2.9
202.01421	2.3
203.02191	5.7
203.04016	40.9
205.00365	2.7
205.02048	10.8
205.03735	3.8
207.00050	7.6
208.02917	6.1
208.53342	2.3
209.03160	4.9
215.02316	4.6
217.01970	6.7
218.02740	17.8
219.01762	59.9
219.03561	2.8
220.02885	5.4
221.03149	3.2
221.05107	29.5
226.03740	3.4
227.02177	3.4
229.01903	13.0
229.05771	8.3
230.12057	3.4
231.01732	6.6
233.03271	11.5
234.99455	4.6
235.03035	3.6
237.02840	35.4
247.02998	25.4
247.06642	13.5
249.02817	7.9
253.00529	7.0
255.01711	4.6
257.05096	7.8
259.06750	4.4
273.02768	92.2
275.06195	13.2
277.04980	6.8
277.07748	2.5
291.03836	22.2
293.07159	5.9
295.06012	10.3
301.02148	52.1
314.05582	2.5
319.03339	62.7
319.07813	9.3
319.12723	3.3
319.16162	4.0
337.04352	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	319.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.0
55.01851	7.0
55.05506	21.2
56.05018	6.9
61.01138	15.0
63.09285	6.8
67.05508	36.2
69.03425	22.4
69.07071	32.4
70.06589	12.6
72.08146	7.8
73.01140	17.5
79.05498	55.5
81.07062	100.0
83.04977	7.1
83.08627	8.2
84.08127	19.5
86.09700	6.3
91.05479	25.4
92.98365	9.0
93.07049	87.2
95.04971	23.6
95.08613	64.1
97.06541	30.5
97.10191	7.2
101.04240	10.2
104.98310	15.0
105.07032	55.8
106.97886	7.0
107.08592	73.4
109.06517	32.1
109.10145	38.7
111.02653	14.3
111.08072	14.9
112.03425	8.7
113.04244	23.8
117.07035	7.1
119.08590	39.8
120.08104	6.8
121.06503	37.0
121.10165	33.0
123.08071	19.1
123.11687	11.0
125.09567	9.1
129.07019	9.8
131.08582	14.5
133.10167	31.7
134.06123	6.2
135.04419	6.0
135.08057	36.2
135.11705	42.6
137.05978	12.1
137.09601	14.8
139.07553	6.0
139.11172	8.1
142.07768	7.2
143.08568	11.5
145.01508	7.9
145.10141	46.3
147.11681	25.8
148.08856	8.3
149.09636	12.7
149.13245	8.8
150.96945	7.6
151.11185	20.8
153.05518	10.6
157.10071	11.8
158.10959	9.1
159.11711	14.7
161.09599	16.1
161.13229	17.0
163.11157	26.1
163.14844	7.8
165.09177	12.9
171.11719	10.3
173.13245	18.5
175.11197	12.8
177.12732	6.3
185.13200	12.6
187.14743	10.5
189.10670	7.8
191.14246	11.4
193.08495	6.9
201.12666	10.7
203.14359	7.8
219.13831	23.3
219.86655	5.9
285.16656	6.6
301.11917	8.2
301.21573	56.0
319.03107	15.0
319.22723	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	318.2026
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
51.73934	0.5
55.05510	4.4
56.48812	0.7
60.04527	20.8
69.90314	2.9
70.02953	1.3
70.06587	1.8
72.08158	59.4
74.06095	0.7
84.04507	1.1
84.08149	2.3
86.09709	26.5
87.05598	15.4
87.10017	0.7
91.05486	0.7
92.02617	0.7
94.03720	0.9
94.06577	0.6
96.08137	2.0
110.07182	0.9
114.09172	16.5
118.08741	0.7
119.31815	0.6
120.08083	0.9
126.90163	0.6
128.10750	1.0
129.10229	1.8
132.10210	5.6
137.05946	0.7
138.05473	1.2
151.03960	0.6
152.04248	1.0
153.01846	5.2
154.02197	3.1
159.11298	100.0
160.11647	1.2
171.69160	0.6
173.12874	13.5
178.07645	0.5
187.10785	26.3
201.12366	3.8
205.11942	0.6
207.18848	0.6
218.05562	0.8
219.13383	1.6
229.04639	1.6
230.05270	2.2
231.17076	1.3
246.05106	0.7
247.05586	1.6
258.04843	1.4
274.04480	1.7
275.05099	2.1
286.04279	3.0
300.13245	0.7
303.04544	8.3
318.06912	46.9
319.07202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68026	1.0
52.91538	1.1
53.03947	1.1
55.01873	3.9
55.05501	3.0
57.03435	5.8
58.99592	10.4
59.96756	1.0
61.00836	2.8
61.01155	52.2
63.00732	1.1
64.68182	1.0
65.03922	1.7
67.05513	5.4
68.99809	1.6
69.03442	2.5
69.07088	2.8
69.59142	8.0
70.06593	3.7
70.99590	6.1
73.01148	81.7
74.01913	1.4
75.00716	2.1
75.02710	16.8
78.96751	1.5
79.05501	16.5
80.06279	2.2
81.03428	1.7
81.07069	5.1
83.01357	12.7
83.04976	1.5
84.04498	1.3
84.08125	2.8
85.02895	1.9
85.06561	3.4
86.09702	4.7
86.31734	1.1
86.99065	2.9
89.00617	3.9
91.05458	2.8
95.04966	3.9
97.06520	2.3
98.21474	2.3
98.80871	1.0
99.02695	4.1
101.03604	1.1
101.04262	4.5
103.88312	1.2
104.98325	100.0
105.07008	1.8
106.97881	1.3
107.04968	33.1
107.08601	1.3
108.05762	7.5
109.02872	2.5
109.06538	7.4
111.02679	22.6
112.03472	3.5
116.98316	22.8
118.99883	1.3
119.04981	3.9
119.08533	1.7
120.08107	2.5
121.10152	1.2
123.04462	6.0
125.06013	1.5
125.09673	1.2
127.02121	1.2
129.03720	5.2
129.10217	1.7
133.01399	5.9
133.06540	1.4
135.04425	3.4
136.05182	6.7
137.05971	2.9
139.02151	6.0
142.99835	8.8
144.00639	60.9
145.01396	7.6
149.09644	1.3
151.03963	7.1
153.01883	4.2
153.05479	27.9
161.00964	7.4
163.02493	22.2
163.03836	2.8
163.07430	1.3
165.01967	2.6
165.04036	10.0
169.04985	3.1
173.00932	1.7
173.13115	1.3
182.99417	3.7
193.08582	1.3
197.04517	1.5
201.00378	6.0
213.03967	11.0
226.98299	1.7
236.06792	1.6
237.07649	2.1
245.04672	1.6
253.07097	22.1
273.02463	1.3
283.01147	1.6
284.42102	1.4
301.02115	2.9
301.21762	1.9
319.04330	16.9
319.12640	1.8
319.22809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05508	1.0
56.05021	0.7
57.03428	1.0
60.04531	3.0
61.02918	1.4
67.05504	0.9
69.03442	3.9
69.07070	2.1
69.67663	2.5
70.02966	0.4
70.06600	2.1
71.04999	0.5
72.08162	6.1
73.02921	0.5
74.06075	0.4
79.05502	0.4
81.03419	1.5
81.07028	0.5
82.06581	1.1
83.05009	0.5
83.08610	0.6
84.04494	0.9
84.08152	1.9
85.02910	6.5
86.09714	12.0
87.04491	0.7
87.05586	1.6
88.04012	0.4
91.03959	0.7
91.05472	0.7
93.07044	1.3
95.08614	1.8
96.04493	2.8
96.08118	2.4
97.02891	3.0
97.05268	2.5
97.06514	0.8
98.20827	0.7
99.04501	0.5
100.07601	0.5
108.08098	0.6
109.02886	0.7
109.06504	0.7
110.06051	5.7
110.07205	0.6
110.09693	4.0
111.08099	0.7
114.09178	1.7
116.07041	0.5
118.08619	0.5
120.08136	2.0
121.06536	0.8
125.08347	1.1
126.09162	10.1
126.28022	0.4
127.03912	1.4
128.10709	0.9
129.10245	1.1
130.06537	0.4
132.10199	0.7
136.07530	0.4
137.05865	0.4
137.10281	0.3
138.05551	3.0
138.09148	22.3
139.07547	1.2
152.10759	0.6
156.10211	100.0
157.10545	1.0
159.11305	7.5
168.10216	1.0
173.12868	9.2
180.10172	0.8
187.10776	2.0
198.11243	1.0
201.12332	2.3
205.11810	0.5
215.13918	0.4
222.11237	0.4
229.39650	0.5
282.13321	0.4
286.04126	0.6
303.04523	1.0
318.06842	3.7
318.10089	0.6
318.15411	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01870	4.3
55.05510	1.9
56.05042	3.1
56.36255	1.6
57.03435	4.7
58.06593	1.5
60.04544	3.1
60.08161	1.8
61.02929	9.2
64.66293	1.5
68.05047	2.1
69.03432	16.9
70.06592	32.7
70.07540	6.5
71.04993	1.9
71.06909	1.9
72.08155	11.4
73.02917	7.4
74.06084	2.9
78.65498	1.6
81.03418	6.7
83.11475	1.6
84.04504	5.8
84.08147	13.9
85.02908	100.0
86.09708	18.5
87.04467	3.4
91.03967	6.4
91.05492	5.5
93.07067	5.0
97.02898	22.2
98.21580	1.8
99.01448	2.0
99.04449	5.1
102.05561	3.2
103.03946	2.2
103.05453	3.4
105.35105	1.5
109.02892	8.1
110.07161	3.9
112.02232	2.7
115.08678	2.1
116.07104	8.1
120.08112	4.6
121.06509	95.6
124.03812	1.5
127.03119	2.9
127.03391	3.5
127.03991	20.0
129.10236	7.6
130.06529	13.6
131.08522	2.1
132.04474	3.1
132.10179	1.7
138.05489	18.9
138.06432	2.6
138.09129	2.5
141.07030	1.7
143.11795	4.4
145.04964	45.4
146.06039	3.2
148.06053	2.9
151.06273	1.6
153.01860	2.8
154.02208	1.7
156.06506	8.4
156.10262	4.0
157.06523	2.4
157.07643	17.6
158.06027	8.1
159.08014	4.3
159.09187	2.9
163.06023	7.4
163.07326	2.3
173.12976	3.7
175.08696	6.5
180.08694	3.4
180.14946	3.9
183.08070	1.9
184.00592	2.2
185.07150	3.9
185.09793	2.0
186.10612	7.7
187.07544	17.7
188.07071	1.8
201.12379	4.2
203.08211	2.0
205.08543	10.1
217.08601	2.7
221.09233	3.7
229.08638	3.8
247.09689	6.1
286.04388	2.1
300.13440	21.0
303.04507	7.0
318.06784	26.1
318.14581	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	317.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.7
56.05038	6.9
58.10550	4.4
61.02916	5.9
69.03419	5.5
70.06590	12.6
71.54224	6.6
72.08160	39.3
74.06081	3.7
75.05611	4.8
83.06104	13.6
84.04501	21.5
84.08146	100.0
85.02892	10.0
86.09713	53.3
97.02925	4.5
101.07150	5.3
101.10764	4.1
104.25438	3.9
116.07082	11.6
118.04601	3.8
119.01910	12.3
129.10252	71.9
130.04990	9.8
130.08629	10.1
131.01868	9.3
132.10213	7.8
141.06601	9.1
143.11783	16.0
146.04895	3.9
147.07661	15.4
147.11270	4.4
154.94257	6.5
155.01988	4.8
155.11732	5.1
156.03625	6.2
158.09261	5.6
163.15527	3.8
164.07143	5.5
166.08731	4.2
169.06139	4.2
171.11324	5.7
172.95276	9.1
173.02969	13.2
186.08690	10.2
189.12317	4.4
200.13943	9.8
206.85895	3.9
214.96208	6.8
215.00424	4.2
228.05768	9.1
299.17102	5.0
302.04236	5.5
317.06534	14.0
317.18768	10.9
317.22348	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	317.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
55.05512	1.3
56.14059	0.7
65.03938	1.3
67.05497	1.6
68.99790	1.2
69.03420	0.9
69.07079	4.4
70.06599	4.5
71.55953	1.0
72.08163	2.2
73.01125	2.0
76.13390	0.8
79.05487	1.2
81.03415	0.9
81.07071	1.6
83.04990	1.4
84.04475	1.2
84.08150	6.3
84.43700	0.8
85.02890	1.5
85.06547	1.1
86.09716	25.1
87.10045	6.2
91.05494	2.5
92.02614	2.6
93.03394	2.7
93.07058	1.0
95.04983	1.2
95.08601	1.3
96.55397	0.7
101.04224	1.0
103.05462	1.3
104.98331	1.2
105.07030	2.2
107.08604	0.9
109.02916	1.4
109.06559	0.8
110.07185	2.0
111.11752	1.3
113.04245	1.8
115.05770	0.8
119.61686	0.7
120.08104	2.1
121.02894	2.6
121.06531	2.3
121.77821	0.7
126.03144	1.0
129.10248	3.2
130.06564	0.9
132.10181	1.3
137.02383	1.0
137.06027	3.6
139.03934	1.8
141.06996	1.4
143.04901	0.8
144.08087	0.9
146.06038	2.3
149.06026	2.1
151.03935	3.4
151.07544	1.3
152.06226	2.6
153.01842	15.5
153.06975	7.0
155.08548	2.3
157.06496	1.2
157.13370	5.5
158.11823	0.9
158.13728	3.9
161.06001	1.4
161.09583	0.8
163.03940	0.8
165.01814	1.1
165.04147	1.7
165.07005	6.3
166.07822	2.3
167.08595	3.2
168.00803	0.7
168.05756	2.5
168.09349	1.8
169.06487	2.2
171.08051	1.2
175.07564	1.3
177.06964	1.2
178.07788	13.9
179.08575	29.4
180.09070	0.9
181.06500	13.0
181.10065	1.6
182.07271	4.2
183.08107	3.7
185.12880	1.7
186.13309	1.6
188.07054	2.9
189.06989	10.3
190.07767	2.9
191.08575	2.1
192.05881	0.8
193.06491	2.1
193.10037	1.6
194.07234	1.6
195.08069	7.6
196.05249	2.8
196.08832	8.9
197.06017	4.0
197.09633	1.9
198.06746	3.0
199.07574	1.8
201.05533	2.0
203.03351	1.0
205.06525	3.7
205.09816	2.3
206.07294	7.6
207.08066	39.1
208.08804	2.9
209.06012	6.9
209.09627	3.1
210.06776	3.3
210.10382	0.8
211.07584	10.1
211.11102	5.5
212.04758	1.1
212.08191	1.2
213.05669	1.0
213.09122	5.2
217.04930	2.5
217.06743	5.2
218.07338	9.8
219.08101	1.1
220.05246	3.1
221.06021	15.4
221.09430	3.7
222.06877	0.9
223.03908	1.8
223.07526	8.9
224.08344	20.1
225.09154	4.9
226.06294	1.4
227.07063	6.3
227.10703	1.1
228.04175	2.9
229.04971	7.0
229.08539	1.3
231.02844	1.4
234.06775	10.5
235.07564	81.0
236.08252	3.8
237.05553	4.6
237.09221	3.5
238.06190	1.8
238.09920	3.3
239.07141	4.2
239.10689	34.6
240.07858	1.4
241.04942	1.5
241.08601	10.3
242.09354	2.7
245.04485	4.1
246.05244	3.0
249.09206	2.7
251.07170	4.6
251.09468	0.7
252.07854	16.0
253.08612	11.1
253.12361	0.9
254.05722	1.3
254.09375	1.1
255.06604	5.6
255.10164	3.0
256.07333	1.6
256.10956	2.0
257.04382	4.6
257.08130	3.4
266.09442	1.2
267.10178	58.6
268.10840	3.8
269.08118	23.3
269.11392	1.9
270.08878	5.9
271.09726	3.2
271.13394	2.5
272.10391	1.7
273.03973	2.8
274.04669	6.9
281.11749	2.4
283.09818	1.4
284.10437	26.8
285.04050	6.5
285.07306	1.1
285.07901	1.0
285.11069	4.6
299.09247	12.1
299.12833	48.9
300.12979	1.1
301.03412	1.0
302.04230	23.0
317.06598	100.0
317.13870	41.0
318.06946	3.3
318.13965	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	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10193	0.1
55.05507	0.2
56.05033	0.2
61.01147	0.2
64.03147	0.2
65.03951	0.9
67.01864	0.2
67.05489	0.2
68.99441	0.2
68.99777	0.8
69.03390	0.1
69.26913	0.3
69.27325	1.0
70.03446	0.1
70.06601	1.1
72.08164	0.8
74.11382	0.1
81.03416	0.2
84.04499	0.3
84.08149	3.3
86.09711	1.2
91.05511	0.2
92.02627	3.5
93.03417	2.6
94.04211	0.2
95.04988	0.2
103.05502	0.3
104.98295	0.2
105.03415	0.2
107.04961	0.4
107.08612	0.1
109.02868	0.3
109.06555	0.2
110.07145	0.5
111.00816	0.5
120.02099	0.2
120.08113	0.5
121.02875	2.0
122.03642	0.4
123.04438	0.2
126.03148	1.5
127.03949	0.2
129.10240	4.0
130.05023	0.1
130.99828	0.5
131.04918	0.3
133.02843	0.2
135.04395	0.3
137.02293	1.0
137.05914	0.2
139.03905	1.5
140.01704	0.2
141.10249	0.2
145.06509	0.3
149.05968	0.2
150.03107	0.3
151.03918	2.5
151.05029	0.2
153.01839	17.4
155.04939	0.4
161.06061	0.2
163.03917	0.5
165.01875	1.2
166.02620	0.4
169.09740	0.2
171.02974	0.1
172.05270	0.2
173.06038	0.3
176.04657	0.2
177.01923	0.2
177.05473	0.5
179.03418	0.4
183.02911	0.4
183.04407	0.2
184.93808	0.2
186.12396	0.9
187.03970	0.3
189.05478	0.3
190.06300	0.2
192.04176	0.3
200.04674	0.9
201.05492	1.9
203.03377	1.6
204.04221	0.2
204.13420	0.2
209.05727	0.2
211.03961	0.2
215.03534	0.1
217.04976	3.1
218.02370	0.2
218.05792	1.3
219.02927	0.7
228.04202	3.5
229.04967	7.4
230.05638	0.2
231.02902	1.1
239.03432	0.2
242.28772	0.1
243.04379	0.3
243.06560	0.3
245.04474	4.2
246.05252	3.2
256.03787	0.7
257.04468	4.6
260.03241	0.8
261.07660	0.5
271.05966	0.6
273.03952	3.5
274.04727	6.6
275.05286	0.2
284.03220	0.9
285.03946	7.5
286.04477	0.3
287.01907	0.3
288.06100	0.3
299.09042	0.2
301.03421	0.5
302.04230	22.3
304.51968	0.2
317.06570	100.0
318.06866	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05497	0.3
56.05027	0.3
58.06583	0.2
60.04527	0.2
60.81538	0.2
61.01147	0.6
63.62835	0.2
65.03944	1.0
67.05502	0.4
68.99803	0.6
69.03439	0.2
69.07062	0.4
70.06293	0.2
70.06602	1.8
71.13210	0.3
72.08157	1.4
74.02420	0.2
74.06084	0.2
76.00173	0.2
79.05519	0.2
80.05012	0.2
81.03402	0.2
81.07027	0.4
84.04521	1.1
84.08150	3.2
85.02889	0.3
86.01201	0.2
86.09712	1.8
87.10047	0.3
91.05481	0.9
92.02634	3.0
93.03414	2.9
94.04173	0.2
95.04958	0.3
96.04483	0.5
98.01900	0.4
98.06054	0.3
103.05483	0.2
104.98309	0.9
105.07008	0.3
107.04929	0.3
107.08571	0.2
109.02888	0.3
109.06523	0.3
110.07160	0.5
111.00735	0.3
112.02164	0.5
112.03966	0.2
115.05462	0.8
117.07082	0.3
119.04970	0.4
119.08605	0.3
120.08105	0.7
121.02850	2.2
121.06461	0.2
122.03644	0.4
126.03142	1.0
127.03903	0.2
129.10236	1.7
130.05026	1.0
130.06555	0.2
130.08669	0.3
130.99855	4.1
131.04932	0.2
133.02968	0.2
133.06419	0.2
135.04411	0.5
137.02357	0.6
137.05991	1.8
139.03937	1.5
140.01657	2.2
142.04936	0.2
143.04915	0.6
145.06500	0.3
147.04460	0.2
147.07921	0.2
149.02338	0.2
149.06032	0.2
150.03151	0.2
151.03896	1.7
151.04942	0.2
151.07512	0.9
153.01836	17.3
153.06995	0.4
155.04958	0.4
158.08102	0.4
161.05991	0.4
163.03937	0.4
165.01843	1.1
165.05487	0.2
166.02629	0.4
167.07118	0.3
168.01189	0.6
170.02054	0.2
170.06021	0.2
173.05983	0.5
175.07561	1.5
177.01846	0.3
177.05452	0.6
179.08607	0.2
181.06390	0.5
183.02835	0.4
183.04417	0.3
187.03966	0.4
190.06267	0.3
200.04726	0.5
201.05486	1.8
203.03426	1.6
207.08142	0.4
209.05634	0.6
211.04001	0.3
211.07521	0.4
214.03639	0.6
215.04964	0.2
217.04971	3.3
218.05707	1.4
219.02910	0.7
228.04182	3.8
229.04970	7.7
231.02893	1.3
232.03650	0.2
233.04305	0.3
242.03085	0.3
243.04434	2.1
243.06598	0.2
245.04488	3.7
246.05229	3.5
256.03735	0.3
257.04462	4.5
259.02417	0.2
260.03186	0.5
261.07541	0.5
267.10165	0.3
271.06131	0.5
273.03955	3.6
274.01718	0.2
274.04727	6.8
284.03253	0.7
285.03958	7.8
286.04520	0.4
299.05847	0.3
299.09171	1.1
299.12866	0.9
301.03436	0.5
302.04230	22.6
303.04578	0.3
317.06564	100.0
318.06946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.63055	0.2
57.13882	0.2
65.03946	0.9
66.21301	0.2
67.01868	0.3
68.99799	0.5
69.94638	0.4
69.95044	0.8
70.06584	0.7
72.08149	0.6
72.63109	0.2
84.08139	0.8
86.09701	1.1
87.10050	0.2
91.05487	0.5
92.02629	3.4
93.03403	3.0
94.04164	0.4
108.02138	0.3
111.00812	0.3
111.08072	0.3
115.05438	0.8
119.04954	0.5
120.02116	0.2
120.18517	0.2
121.02869	2.3
122.03661	0.3
122.32632	0.2
126.03141	1.1
127.03902	0.3
129.10243	0.9
135.04480	0.2
137.02368	1.1
137.05965	1.7
139.03935	1.2
140.10603	0.2
140.56985	0.2
143.04976	1.0
145.06544	0.2
149.02409	0.3
150.03224	0.2
151.03947	2.5
151.07555	0.9
153.01836	18.2
155.04938	0.3
160.05240	0.4
161.05968	0.4
163.03979	0.4
165.01857	1.4
166.02588	0.5
173.05939	0.3
175.07582	0.8
177.05486	0.5
179.07036	0.3
183.02940	0.3
184.72705	0.2
187.03960	0.3
192.04141	0.2
200.04663	0.7
201.05469	2.1
203.03377	1.6
204.04128	0.3
207.08041	0.4
217.04985	2.9
218.05783	1.2
219.02977	0.4
228.04173	4.0
229.04980	7.3
231.02936	0.8
239.03354	0.3
245.04425	3.3
246.05247	3.2
256.03677	0.5
257.04477	4.7
259.02609	0.2
260.03180	0.9
261.07733	0.4
267.10043	0.2
271.06000	0.5
273.03946	3.7
274.01730	0.3
274.04727	6.5
284.03183	0.9
285.03983	7.4
287.01834	0.3
299.12766	0.7
301.03296	0.3
302.04221	23.4
317.06564	100.0
318.06967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01870	0.2
55.05510	0.2
56.05035	0.2
58.06617	0.1
60.04519	0.4
65.03941	0.7
65.22308	0.1
67.01871	0.2
67.05480	0.2
68.99796	0.6
69.03427	0.3
69.07075	1.0
70.06595	2.7
70.37524	0.1
71.06919	0.5
71.53917	0.1
71.54382	0.2
72.08161	0.9
79.05478	0.2
81.03405	0.2
84.04517	0.6
84.07682	0.2
84.08148	2.2
85.02882	0.2
86.09713	5.7
87.05602	0.1
87.10044	1.1
90.83543	0.1
91.05456	0.2
92.02633	2.8
93.03413	2.7
93.07069	0.1
94.04235	0.2
95.01329	0.1
95.04962	0.2
102.62717	0.1
104.05299	0.1
107.04944	0.1
108.02124	0.2
109.02867	0.4
110.07178	0.2
111.00819	0.4
111.04440	0.1
115.05498	0.2
116.05322	0.2
116.07097	0.8
117.07456	0.3
120.02050	0.2
120.08112	0.2
121.02879	2.2
121.03728	0.2
121.06506	0.2
122.03656	0.3
123.04465	0.1
126.03119	1.2
127.03910	0.4
129.09320	0.2
129.10239	1.8
129.11116	0.2
135.04388	0.3
137.02367	1.1
137.05952	0.4
139.03909	1.6
141.05499	0.1
143.11899	0.2
145.06471	0.3
147.04393	0.2
149.02307	0.3
149.05960	0.1
150.03145	0.1
151.03931	2.8
151.05034	0.3
152.01031	0.1
153.01837	18.0
154.02425	0.1
155.04929	0.3
157.09668	0.1
161.06033	0.2
162.03128	0.1
163.03912	0.4
165.01849	1.2
165.05406	0.1
166.02658	0.4
170.02129	0.3
171.02901	0.2
173.05980	0.3
173.12910	0.3
174.13289	0.2
175.07471	0.1
177.01828	0.1
177.05507	0.7
179.03377	0.2
183.02875	0.2
183.04402	0.3
186.12350	0.3
187.03925	0.4
189.05460	0.3
190.06235	0.3
196.04251	0.1
199.18071	0.5
200.04663	0.7
200.18407	0.9
201.05493	1.6
203.03391	1.7
203.14047	0.1
204.04114	0.2
205.04880	0.2
210.96817	0.1
211.03873	0.2
217.04973	3.0
218.05742	1.3
219.02887	0.6
228.04187	3.7
228.17972	0.2
229.04974	7.3
230.05432	0.2
231.02898	1.2
232.03629	0.3
233.04469	0.2
239.03503	0.2
243.06517	0.3
245.04465	3.8
246.05241	3.2
247.02490	0.2
256.03735	0.8
257.04459	4.7
259.02325	0.1
260.03156	0.7
261.07574	0.5
271.06107	0.7
273.03949	3.5
274.01651	0.3
274.04724	7.4
284.03207	1.1
285.03955	8.1
286.04468	0.2
287.01810	0.2
288.06332	0.4
299.05908	0.1
299.09366	0.1
301.03534	0.4
302.04236	23.9
303.04553	0.3
317.06567	100.0
318.06915	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05519	0.6
57.03429	0.5
58.11622	0.4
61.01159	0.7
62.57840	0.4
65.03926	0.8
67.05495	1.3
68.99787	0.7
69.07071	1.4
70.02988	1.4
70.03402	0.9
70.06567	0.9
72.08134	0.6
73.01132	1.4
79.05523	1.2
81.07059	1.1
84.08141	1.4
85.02921	0.7
86.09717	0.7
91.05496	0.9
92.02635	2.8
93.03425	3.0
93.07040	0.9
95.04964	0.6
95.08633	1.0
97.06509	0.4
98.21408	0.6
104.98318	1.8
105.07022	0.9
107.08620	1.2
109.10155	1.0
110.07161	0.5
111.00822	0.5
113.04263	2.1
119.08548	0.7
120.08095	0.4
121.02857	2.8
121.06512	0.8
126.03120	0.7
129.10234	1.0
130.99899	1.1
133.10220	0.8
137.02313	0.8
139.03880	1.5
145.01440	0.6
145.06520	0.5
145.10120	0.5
151.03918	1.9
153.01846	15.6
159.11717	0.5
164.07039	0.4
165.01871	1.2
166.02565	0.6
168.00612	1.0
173.05963	0.7
186.01624	1.2
187.03917	0.6
200.04662	0.7
201.05484	0.9
203.03409	1.8
205.61737	0.4
212.56569	0.4
215.79030	0.4
217.04968	3.2
218.05777	1.2
219.02971	0.6
228.04213	4.0
229.04982	7.2
231.02881	1.2
245.04478	3.6
246.05293	3.5
257.04486	8.8
273.03909	3.3
274.04758	6.4
284.03192	0.8
285.03998	7.4
287.01974	0.5
299.06116	0.6
299.19995	0.5
301.03183	0.6
302.04254	26.9
317.06586	100.0
317.21130	1.5
318.06860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.74136	0.2
53.99366	0.1
56.05050	0.2
63.02400	0.2
65.03974	0.7
67.01893	0.2
67.05515	0.1
68.99825	0.7
69.03459	0.2
69.07104	0.2
70.06627	0.3
70.40549	0.3
70.40918	0.3
72.08182	0.2
73.01178	0.6
73.95446	0.1
81.03441	0.3
81.07092	0.3
82.88811	0.2
84.04549	0.2
84.08197	0.5
86.09709	2.7
87.10091	0.6
92.02634	2.9
92.03161	0.2
93.03406	2.6
95.04938	0.2
95.08632	0.2
103.05571	0.1
104.98318	0.2
105.07056	0.2
107.08615	0.2
109.02945	0.4
111.00863	0.4
120.02173	0.2
120.08138	0.2
121.02861	2.1
122.03712	0.4
123.04486	0.2
124.01620	0.2
126.03137	1.1
129.10303	0.5
132.58675	0.1
133.02951	0.2
137.02419	0.6
137.06004	0.3
137.13327	0.2
137.40529	0.2
139.03903	1.5
145.06586	0.3
147.04555	0.2
149.02399	0.2
150.03101	0.2
151.03926	1.1
151.04973	0.2
152.01189	0.2
153.01837	16.9
155.04938	0.2
157.13373	1.0
158.13754	0.4
163.02486	0.2
163.03925	0.2
165.01805	1.0
166.02625	0.3
170.02228	0.2
173.06064	0.4
177.05498	0.3
179.03374	0.2
183.02910	0.6
183.04436	0.3
185.13008	0.3
186.13264	0.2
187.04008	0.3
189.05518	0.2
190.02637	0.2
190.06213	0.2
193.10596	0.1
200.04825	0.8
201.05499	1.6
203.01660	0.2
203.03368	1.3
204.04210	0.3
211.03941	0.3
217.04977	3.2
218.05717	1.5
219.02975	0.7
228.04185	4.2
229.04971	7.8
231.02847	1.2
232.03773	0.2
243.06641	0.2
245.04471	4.0
246.05240	3.2
256.03735	0.6
257.04471	4.6
258.05060	0.2
260.03217	0.6
261.07657	0.5
271.06076	0.4
273.03958	3.1
274.04733	6.7
278.93011	0.2
284.03207	0.9
285.00775	0.4
285.03946	7.4
285.12427	0.4
287.02237	0.4
287.05588	0.5
288.06387	0.5
299.09335	0.3
301.03519	0.4
302.04233	22.0
303.04605	0.3
317.06567	100.0
318.06870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
50.22316	0.2
55.01866	0.5
56.39352	0.2
60.36585	0.2
65.03929	0.9
67.05493	0.3
68.99791	0.5
69.03410	0.2
69.07056	0.6
70.06580	0.9
70.36810	0.2
71.04064	0.3
72.08164	0.3
73.01141	0.3
75.30128	0.2
76.45499	0.3
79.05475	0.3
81.03373	0.2
82.04195	0.3
84.08129	0.7
84.52654	0.2
86.09708	7.3
87.10040	2.0
91.05479	0.4
92.02634	3.1
93.03412	3.0
95.04971	0.3
102.32428	0.2
108.09348	0.2
109.02890	0.5
110.07129	0.3
110.37788	0.2
111.00815	0.6
120.08179	0.3
121.02861	2.6
122.03657	0.5
123.04495	0.3
126.03164	1.0
129.10266	0.4
133.02831	0.3
137.02321	0.6
137.05962	0.2
139.03906	1.8
145.02835	0.2
150.03169	0.2
151.03896	1.5
152.01105	0.2
153.01839	17.5
153.06963	0.6
157.13354	2.4
158.13736	1.6
158.15016	0.2
158.15268	0.2
161.05984	0.2
163.03929	0.5
165.01836	0.9
165.06877	0.3
166.02640	0.3
173.05980	0.4
177.05519	0.4
178.07793	0.7
179.03362	0.2
179.08574	1.3
181.06511	0.9
183.04356	0.5
183.08043	0.2
185.12874	0.8
186.13200	0.6
187.03922	0.2
189.06995	0.5
192.04179	0.3
195.08014	0.3
196.08844	0.6
200.04662	0.6
201.05487	1.5
203.03424	1.5
205.06535	0.3
207.08067	1.9
209.05931	0.3
211.07565	0.8
213.05502	0.4
213.09186	0.4
217.04932	2.8
217.06660	0.3
218.05583	1.3
218.07538	0.4
219.02855	0.6
220.05177	0.3
221.05984	0.6
223.07469	0.4
224.08354	0.7
225.09241	0.3
227.07056	0.3
228.04160	3.6
229.04987	7.5
230.05591	0.3
231.02925	1.2
233.04453	0.3
234.06789	0.5
235.07553	3.8
236.08362	0.3
239.07138	0.3
239.10594	1.5
241.08640	0.6
245.04472	3.9
246.05244	3.6
252.07779	0.7
253.08647	0.4
255.06508	0.3
256.03653	0.7
257.04468	4.9
257.08298	0.3
260.03235	1.0
261.07626	0.5
267.10199	2.7
269.08188	1.2
271.05957	0.5
271.10001	0.2
271.13324	0.3
273.03928	3.4
274.01706	0.3
274.04736	7.4
284.03174	0.9
284.10550	1.1
285.03961	8.0
286.04550	0.4
287.01663	0.3
299.09229	1.3
299.12936	2.0
301.03445	0.3
302.04233	22.1
317.06573	100.0
317.14120	2.5
318.06921	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
57.03410	0.1
58.29071	0.1
58.99580	0.4
61.01148	0.7
63.02391	0.1
65.03944	1.0
67.05505	0.2
68.99783	0.7
69.63318	1.0
69.97489	0.2
73.01144	4.1
75.02702	0.7
82.05828	0.1
86.99027	0.2
89.00613	0.3
92.02629	3.1
93.03411	2.8
94.04140	0.2
99.02697	0.1
100.39042	0.2
101.04240	0.2
104.98317	1.5
105.03406	0.2
109.02863	0.4
110.88184	0.2
111.00782	0.3
113.04230	0.4
120.02104	0.2
121.02879	2.5
122.03658	0.4
123.04433	0.2
126.03130	1.3
129.03685	0.4
131.04900	0.2
133.02863	0.2
137.00888	0.3
137.02328	0.6
137.06018	0.2
139.03091	0.1
139.03920	1.8
145.01408	0.3
145.06476	0.3
149.02284	0.3
151.03915	1.7
151.05005	0.3
153.01833	17.9
155.04907	0.5
159.04396	0.2
159.53520	0.2
161.05957	0.2
163.02444	0.8
163.03783	0.3
165.01868	1.1
166.02591	0.2
173.05998	0.4
176.04674	0.2
177.01936	0.2
177.05469	0.5
179.03423	0.3
183.02882	0.4
183.04454	0.4
187.03883	0.5
189.05446	0.3
190.06221	0.3
192.04164	0.3
200.04742	0.9
201.05493	1.8
203.03369	1.6
211.03995	0.2
217.04977	3.4
218.05774	1.5
219.02890	0.7
228.04181	4.4
229.04973	7.6
231.02914	1.2
232.03658	0.2
239.03435	0.2
243.06644	0.2
245.04456	4.3
246.05246	3.4
247.02357	0.2
256.03632	0.7
257.04462	4.7
258.05194	0.2
259.02234	0.2
260.03195	1.0
261.07669	0.4
267.02948	0.2
271.06067	0.4
273.01236	0.3
273.03946	3.5
273.07095	0.2
274.01660	0.3
274.04739	7.5
284.03128	1.1
285.03955	8.3
286.04578	0.3
287.01846	0.2
288.06354	0.3
289.07434	0.1
301.03500	0.5
302.04218	22.2
303.04684	0.3
317.06561	100.0
318.06909	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52262	0.3
57.03426	0.3
58.99587	0.8
61.01158	1.5
61.01409	0.3
65.03951	0.8
69.20351	3.5
73.01148	6.6
75.02719	2.0
76.02219	0.9
83.82529	0.3
89.00609	0.6
89.64971	0.3
92.02627	3.2
93.03419	2.7
97.06523	0.6
98.20782	0.5
101.04224	0.5
104.98339	2.8
111.79173	0.3
113.04230	1.3
116.05318	0.4
116.27235	0.3
120.97818	0.6
121.02888	2.0
123.04528	0.3
126.03152	1.3
129.03711	0.8
131.54938	0.3
137.02322	0.7
139.03929	1.4
151.03949	1.6
153.01839	17.3
155.04895	0.5
163.02481	3.1
165.01842	1.2
166.02707	0.4
173.05943	0.7
177.05490	0.4
187.03906	0.4
190.06311	0.3
200.04713	0.9
201.05507	1.7
202.05443	0.3
203.03397	1.4
214.46861	0.4
217.04982	3.4
218.05762	1.4
219.03052	0.5
228.04173	3.8
229.04942	6.8
231.02856	1.0
233.04359	0.3
243.06740	0.4
245.04460	4.1
246.05241	3.9
256.03720	0.9
257.04456	4.6
260.03165	0.8
273.03979	3.4
274.04736	6.6
284.03217	0.7
285.03934	8.4
302.04227	21.9
317.06570	100.0
318.03665	0.3
318.06931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.4
56.06325	1.6
57.03419	5.6
58.99574	4.4
60.77256	1.6
61.01149	15.1
62.63660	1.5
65.03953	1.9
67.05484	2.2
69.03403	1.8
70.06567	2.2
73.01149	100.0
74.70505	1.5
75.02699	6.8
81.03394	1.7
81.07036	2.1
82.05762	1.5
84.08127	2.6
86.09685	4.3
86.99039	4.6
89.00618	3.4
89.51451	1.7
92.02607	1.8
93.65582	1.6
101.04242	5.0
104.98325	33.8
105.03706	2.4
109.06539	1.9
112.03468	2.0
113.04220	3.9
121.02800	2.0
128.14366	3.2
129.03670	5.5
137.00917	11.3
137.02319	2.2
139.47650	1.5
145.01387	6.3
150.84288	2.2
151.03893	4.9
153.01851	13.3
163.02484	28.6
175.11118	2.0
181.16954	3.2
191.46201	1.8
217.05147	2.1
227.02296	2.2
227.17587	7.4
228.04289	2.7
229.04973	4.9
245.04451	2.6
257.04453	2.8
274.04697	3.8
285.03943	6.5
302.04214	17.7
317.06583	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
53.16211	0.2
57.03449	1.2
58.99576	1.6
59.05005	0.3
61.01149	3.2
65.03931	0.9
68.99786	0.6
69.07059	0.3
73.01143	24.1
74.01920	0.4
74.02322	0.2
75.02703	1.7
78.96770	0.3
81.07028	0.5
83.08618	0.4
84.08100	0.2
85.06551	0.4
86.99043	0.5
89.00607	1.1
92.02629	3.0
92.98344	0.3
93.03403	3.4
99.02656	0.4
101.04237	1.6
104.98322	8.7
105.03777	0.3
111.00809	0.4
113.04210	1.0
114.56371	0.2
116.98331	0.3
118.99857	0.8
120.02056	0.3
121.02892	2.2
122.03681	0.4
126.03140	1.2
129.03699	2.0
133.02835	0.3
135.04408	0.2
137.00914	2.5
137.02350	0.6
139.03922	1.7
145.01416	1.8
145.06496	0.3
150.03052	0.4
151.03908	1.7
153.01830	19.5
155.04944	0.5
161.00826	0.3
162.05678	0.3
163.02467	6.2
163.03828	0.6
165.01799	1.3
173.05968	0.4
177.05373	0.4
183.02850	0.3
183.04338	0.3
187.03909	0.3
189.05428	0.4
191.03313	0.3
200.04684	0.9
201.05460	1.9
203.03395	1.6
204.04240	0.4
217.04958	3.4
218.05731	1.2
219.02962	0.6
228.04175	4.4
229.04967	9.1
231.02898	1.0
239.03441	0.3
245.04454	4.5
246.05229	3.8
247.02336	0.3
256.03650	0.7
257.04465	5.2
260.03229	1.0
261.07440	0.5
271.05859	0.3
273.03958	3.7
274.04718	8.1
284.03265	0.9
285.03934	8.1
286.04440	0.4
288.06198	0.3
295.96890	0.3
301.03561	0.3
302.04211	25.6
311.37036	0.3
317.06558	100.0
318.07062	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03698	2.5
53.03942	3.5
55.05492	3.0
55.13277	2.6
57.07098	2.7
58.99577	9.3
61.01158	21.5
65.79401	2.6
65.79757	2.6
67.04626	3.4
67.05497	4.8
69.07059	13.7
69.11895	2.9
70.06606	3.4
70.99538	2.7
71.55144	4.0
73.01158	23.0
76.58555	2.9
79.05480	6.9
81.07053	4.7
83.08643	5.1
92.02622	4.4
95.04945	4.2
97.06551	7.5
99.02694	4.5
101.04229	14.1
104.98327	95.8
107.01655	6.5
112.03439	6.4
113.04235	56.3
115.02171	4.2
115.03845	5.9
120.08064	3.0
129.03687	7.3
130.04482	9.1
131.05261	17.2
136.95467	5.4
137.59883	3.2
142.99840	5.8
147.02983	54.3
153.01828	13.3
163.02708	3.1
204.86725	2.8
229.04961	8.1
237.02267	4.6
257.04578	5.1
273.03943	4.5
274.04767	6.6
285.03937	8.4
302.04218	27.3
317.06595	100.0
317.21054	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
57.03426	1.1
58.99594	2.3
59.73109	0.4
61.01154	5.7
65.00655	0.4
65.03919	1.0
65.15664	0.4
67.05528	0.3
69.07034	0.6
70.06583	0.6
70.91332	1.1
73.01145	32.7
74.01913	0.5
75.02704	4.6
78.96770	0.6
79.05502	0.7
81.07041	1.0
85.06512	0.8
86.99044	1.3
87.02662	0.7
89.00600	1.7
89.57161	0.3
92.02626	3.1
93.03402	2.8
93.28950	0.4
95.04966	0.4
97.06535	1.0
101.04261	2.3
104.98317	11.0
105.03744	0.4
110.93948	0.5
111.02686	0.6
112.03444	0.5
113.04249	2.5
113.40525	0.4
116.98285	0.4
118.99854	1.1
120.08108	0.4
120.97748	0.8
121.02853	2.3
126.03114	1.0
129.03712	2.9
130.99861	0.9
137.00887	2.4
137.02339	1.1
139.03906	1.9
140.01686	0.4
145.01436	2.2
151.03885	1.6
152.01019	0.4
153.01837	16.3
161.00841	0.4
163.02478	9.2
163.03796	0.5
165.01855	1.3
166.02599	0.6
170.02127	0.5
173.06035	0.4
177.05473	0.5
179.00215	0.4
183.04414	0.4
200.04634	0.7
201.05428	1.3
203.03401	2.0
211.03911	0.4
217.05016	3.0
218.05756	1.3
219.02892	0.8
227.02310	0.7
228.04173	4.8
229.04964	7.5
231.02930	1.1
245.04453	3.9
246.05312	2.4
253.05040	0.7
256.03632	0.4
257.04489	4.6
260.03226	1.0
261.07581	0.8
264.22217	0.4
271.06039	0.5
273.03931	3.4
274.04712	6.8
284.03064	0.7
285.03931	8.3
302.04218	23.1
317.06561	100.0
318.06924	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.4
58.99593	9.6
59.30503	1.9
61.01155	25.1
65.00661	2.1
69.88544	6.7
69.88967	4.0
70.99569	3.0
72.08160	3.1
73.01147	100.0
75.02709	33.1
76.02221	5.4
77.00871	2.2
79.05491	5.1
81.07038	2.4
84.04507	4.1
85.06544	3.0
87.02689	3.6
89.00636	13.8
97.06533	4.9
98.20863	2.9
99.02665	4.4
101.04237	11.2
104.98328	47.7
110.93966	3.1
113.04230	15.0
115.05723	1.8
118.99862	3.3
120.97793	6.2
121.81373	1.8
129.03748	15.9
130.05016	2.4
145.01433	6.2
153.01833	3.7
161.00890	2.0
162.02127	3.0
163.02463	41.4
164.02779	2.2
179.01675	2.4
179.04868	5.5
194.99680	3.6
219.08084	2.2
228.78214	1.8
263.05563	2.2
274.04965	2.8
290.55209	1.9
299.09299	2.7
302.04309	4.1
317.06592	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	317.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05499	2.0
56.05049	1.0
57.03444	4.9
57.03672	1.0
58.99593	7.4
61.01155	17.2
65.00635	1.5
67.05492	3.5
69.07057	3.7
70.06591	4.8
70.99565	2.2
71.54914	1.5
72.08184	5.2
73.01145	100.0
75.02324	1.6
75.02709	22.1
78.96758	1.9
79.05482	5.1
81.03436	1.2
81.07035	4.1
83.04979	1.2
84.04489	1.8
84.08137	8.4
85.06517	3.6
86.09715	10.9
86.99052	4.1
87.02699	2.7
87.10027	2.2
89.00626	10.3
91.05471	2.7
92.02622	2.0
92.98336	1.7
93.03378	1.3
93.07047	2.1
95.04962	2.6
95.08601	1.7
95.79381	0.9
97.06519	4.0
99.02686	1.8
101.04247	10.2
102.96749	1.4
104.98322	41.6
105.06997	2.2
105.67392	1.0
107.04962	7.2
109.02903	1.2
109.06512	1.6
109.10179	1.2
110.07144	1.4
110.93946	1.4
111.02705	2.1
113.04233	13.2
115.05824	2.3
116.98323	2.9
117.07012	1.1
118.99873	1.5
120.08111	3.6
120.97781	5.7
121.02900	1.6
129.03709	12.9
129.10246	4.2
130.99883	1.2
131.05063	1.2
131.08578	0.9
136.95515	1.1
137.00909	1.6
137.02397	1.3
137.05992	1.4
145.01389	6.7
147.04419	1.3
151.03923	2.9
153.00626	2.0
153.01804	9.1
157.13409	2.8
158.13731	1.8
158.49367	1.1
163.02478	32.9
163.03802	1.2
165.04092	1.5
175.07452	1.2
175.68811	1.0
194.99651	2.3
200.04622	1.1
201.05556	1.3
217.04930	1.7
228.04071	2.0
229.05020	3.9
229.13435	1.1
245.04482	1.8
256.03894	1.0
257.04483	3.0
274.04791	3.0
285.03934	3.9
287.05600	1.6
289.73840	1.2
299.09296	1.7
302.04248	17.9
317.06577	67.2
317.21179	3.0
318.06876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62068	2.1
55.05510	2.4
58.99578	6.9
61.01144	9.0
61.42254	1.9
63.00029	1.8
65.03928	3.4
67.05496	5.6
69.07076	15.4
70.06590	2.6
70.99574	2.0
71.54897	3.9
72.08148	2.9
73.01155	18.5
79.05495	9.2
81.07064	5.1
83.08623	2.2
84.08143	6.4
85.01128	3.3
85.06592	1.8
87.02673	3.6
91.05453	2.3
93.03390	3.0
93.07063	2.7
94.02955	2.0
95.04997	2.8
95.08623	4.0
96.05723	2.2
97.06549	12.4
98.01913	2.4
99.02656	5.6
101.04266	10.7
103.97539	2.3
104.98332	30.0
107.08604	4.3
109.06506	3.0
109.10201	2.0
111.02673	5.3
112.03446	2.9
113.03516	3.7
113.04247	49.5
115.02111	2.4
116.98247	2.4
118.99871	6.5
119.08624	2.1
120.08118	2.7
120.99384	2.5
121.10114	3.7
129.03694	6.4
129.10315	2.2
130.04489	8.2
130.99881	2.5
131.05290	26.3
131.08575	2.1
133.10146	2.2
135.84908	2.3
145.10164	3.1
147.02968	15.1
147.11708	2.5
151.03963	2.3
153.01855	17.3
159.11777	2.1
163.02473	2.3
181.72371	2.0
217.04924	2.8
228.04111	3.3
229.04976	9.1
246.05313	4.7
257.04327	3.2
273.03955	3.1
274.04764	7.2
281.48703	2.6
285.03979	5.4
302.04227	27.7
317.06558	100.0
317.21320	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08245	1.0
57.01871	1.0
57.03442	7.8
58.99571	5.1
59.96725	1.2
61.01160	15.1
62.72939	1.1
69.07074	1.2
70.71049	3.6
73.01152	100.0
75.02703	7.6
81.07052	1.7
85.06539	2.3
86.99068	2.0
89.00614	4.5
92.98344	2.0
101.04242	5.3
104.98328	33.6
105.03752	1.6
107.08598	1.1
110.93916	1.3
113.04217	2.8
116.26862	1.1
116.98260	1.2
118.99920	1.2
129.03728	7.5
130.99812	2.5
137.00937	8.2
145.01413	7.1
150.80865	1.2
157.70323	1.1
163.02484	29.6
168.00616	1.8
227.02347	1.2
289.29642	1.4
302.04288	10.6
317.06592	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	316.983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.0
57.03426	2.3
57.07063	1.5
58.99592	10.1
59.96714	1.3
60.04521	2.6
61.01155	8.6
62.99073	1.9
65.03926	1.4
67.05508	9.3
69.07073	30.3
70.06601	1.6
70.07844	1.1
70.84217	3.0
70.99573	1.4
72.00340	1.1
73.01148	19.1
74.85567	1.1
75.86951	0.9
79.05491	9.3
81.07046	4.7
82.07840	1.3
83.04990	1.6
84.08157	1.9
85.01142	2.6
85.06563	1.3
87.02696	2.5
89.00607	2.3
90.01412	5.1
90.26875	1.2
91.05469	1.1
93.07083	1.5
95.04958	3.7
95.08579	1.1
96.05744	3.3
97.01115	2.3
97.06543	23.1
98.01936	1.1
98.07277	1.2
99.02679	6.0
101.04251	20.0
102.96826	1.1
103.05824	1.7
103.97527	2.9
104.98319	9.0
105.07034	1.9
106.40715	1.0
107.08611	1.5
109.10177	1.6
111.02666	7.1
112.03451	7.8
113.04239	100.0
114.05049	2.9
115.02170	7.2
115.03827	1.2
115.05832	1.2
116.98295	1.1
119.08492	1.2
121.02817	1.2
122.99330	2.1
129.03714	15.7
130.04495	23.0
130.69734	1.0
130.99886	2.5
131.05276	56.8
133.01447	3.3
136.95477	3.5
140.40280	1.1
142.99818	2.9
144.00620	2.2
145.01390	1.6
147.03056	1.0
153.01917	1.6
161.00888	2.5
162.01672	1.1
163.02467	1.6
164.98654	2.3
167.66293	1.3
168.92735	1.3
174.97015	1.6
176.98709	1.2
184.57112	1.1
193.69221	1.0
226.96935	2.9
302.04294	5.6
316.28464	2.2
316.98541	1.3
317.06534	11.0
335.02145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19917	1.0
55.05507	2.0
57.07076	2.3
58.99593	10.2
60.04532	27.4
61.01146	3.3
65.03955	1.8
67.05510	6.1
69.07075	19.1
69.47047	6.9
70.06596	4.7
71.08635	1.5
71.81474	1.0
72.04520	6.1
73.00834	0.9
73.01147	9.2
78.96777	2.8
79.05500	8.8
81.07072	2.1
85.01133	1.2
88.07629	5.3
89.00616	1.3
91.05466	1.5
93.07021	1.7
95.04977	4.5
95.08584	1.1
96.05740	3.5
97.01112	3.3
97.06539	11.0
98.01875	1.3
98.20784	1.8
99.02673	6.5
101.04240	19.8
104.97666	1.2
104.98301	5.8
105.99077	1.2
106.08655	3.0
109.10149	1.3
110.93967	6.7
111.02670	23.2
112.03461	19.2
113.04237	100.0
114.05021	0.9
115.02158	4.2
115.03786	1.7
119.08576	1.4
123.11703	1.0
127.02161	2.4
129.02815	1.7
129.03712	23.0
130.04500	11.5
131.05284	5.2
133.01387	3.0
138.97015	2.9
142.99847	10.5
144.00639	10.5
145.01372	2.6
145.10147	1.0
155.31964	1.1
159.02986	1.4
160.03838	1.7
161.00941	7.4
165.04036	1.3
174.97101	1.8
240.98509	1.6
242.24911	1.1
267.03436	1.1
280.26443	1.5
298.27347	1.8
302.04135	6.3
308.63403	1.2
316.28470	4.6
316.31909	19.1
316.34940	2.0
317.06573	7.8
317.18765	2.2
317.28699	3.0
317.32391	7.5
328.16260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.5
56.05010	2.0
57.03430	2.7
57.05344	1.4
57.07089	2.6
58.99590	11.4
60.04528	22.5
61.01152	11.2
65.03939	2.3
67.05517	11.9
68.06287	1.4
69.06721	2.2
69.07071	33.8
70.06597	2.1
70.07831	1.5
70.94307	3.3
71.04983	1.4
72.00407	1.4
73.01146	20.6
79.05489	12.5
81.07055	5.9
82.07829	1.9
83.04990	1.6
83.08618	5.1
84.08145	3.0
85.01119	3.7
85.06564	1.8
87.02673	4.7
88.38893	1.1
89.00623	2.6
90.01397	5.8
91.05476	3.2
93.07040	2.6
95.04941	3.9
95.08587	3.4
96.05738	3.8
97.01093	2.6
97.06532	25.0
98.01860	1.4
99.02688	9.4
101.04242	22.9
101.26324	1.5
102.96749	1.6
103.97541	2.5
104.98327	19.6
105.07011	1.5
107.08600	2.7
109.10193	2.3
111.02673	6.6
112.03474	7.8
112.44886	1.2
113.04237	100.0
114.05047	3.4
115.02129	6.4
115.03798	3.1
115.05801	2.4
116.98302	3.3
118.99863	4.3
119.08605	1.8
122.99348	1.8
127.02139	1.5
127.05785	1.2
129.03703	14.4
130.04482	24.7
130.99866	2.9
131.05267	58.2
131.06252	3.0
132.00645	1.6
133.01396	4.8
136.95499	5.2
137.09608	1.5
142.99858	2.0
144.00536	1.6
145.01376	6.2
147.02992	10.5
153.01822	1.8
163.02464	2.2
164.98544	1.5
179.00194	10.9
192.27452	1.3
226.96797	2.1
241.96526	1.3
298.27295	3.0
302.04178	7.6
316.28436	12.5
317.06537	15.6
317.21262	2.4
317.28726	2.8
326.40076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53676	2.5
53.03947	2.9
55.01857	3.5
57.03431	2.9
58.99591	8.1
61.01130	5.7
65.03931	3.3
67.05500	9.1
68.98992	3.2
69.07070	24.1
70.06595	4.9
72.08155	4.0
73.01155	17.9
73.57550	3.0
74.22044	2.6
75.19119	2.9
79.05496	9.1
79.07921	3.0
81.07043	5.9
81.52145	2.8
81.52595	3.2
83.46546	2.8
86.09667	2.7
89.00623	4.2
91.05459	4.5
96.05737	3.2
97.01082	3.4
97.06516	15.8
99.02696	6.9
101.04277	15.3
104.98301	15.6
109.10191	3.0
111.02677	10.0
112.03430	8.4
113.04239	100.0
114.56478	2.6
115.02161	5.4
115.03821	3.7
119.08640	3.2
119.88766	2.8
121.06531	4.8
121.10141	3.6
129.03734	14.8
130.04468	21.4
130.99849	3.4
131.05269	34.5
131.08591	4.3
136.95583	3.0
138.05447	2.9
144.00534	4.7
145.01331	5.0
153.01869	4.6
166.04999	4.8
180.06560	3.5
186.01584	3.8
226.96852	13.5
285.03802	5.6
285.12262	4.2
302.04233	19.6
317.06567	58.7
317.15005	12.4
317.29025	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	316.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05310	0.4
55.05518	4.3
56.05042	2.8
57.03445	2.1
57.07081	4.0
58.06591	0.5
59.33152	0.3
60.04531	14.5
63.80782	0.3
67.05512	4.2
68.05032	4.5
69.03423	1.3
69.07074	4.9
70.06601	1.6
71.04989	1.4
71.08636	1.7
71.25146	0.5
72.04526	2.5
74.06083	0.8
76.85659	0.3
79.05491	1.1
80.05022	0.4
81.07064	4.5
82.06579	1.5
83.05001	0.4
83.08623	3.2
83.20464	0.3
84.04496	0.5
84.08134	0.6
85.10175	0.7
87.04479	0.5
90.05547	1.3
92.15807	0.4
93.07062	0.9
94.06572	6.1
95.08607	4.8
97.10173	1.9
98.06065	2.1
101.09375	0.3
108.08158	0.4
109.10162	1.0
112.07637	0.4
116.07095	0.6
159.10243	0.3
181.07516	0.4
190.39256	0.3
198.39972	0.4
212.23724	3.6
218.63251	0.4
224.23729	0.9
226.25359	0.5
238.25282	0.9
242.24815	11.9
243.25079	0.3
244.01561	0.4
250.25339	6.7
251.23817	0.6
252.26883	1.1
254.24983	0.4
262.25354	2.9
268.26385	0.5
280.26389	10.2
298.27405	12.4
316.28479	100.0
317.28821	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	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.9
56.05033	5.5
57.03431	3.0
57.07076	4.3
58.06578	0.9
58.23967	1.0
58.37461	0.8
58.66503	0.9
59.28448	1.0
60.04529	96.4
66.65523	1.0
67.05508	11.0
68.05029	3.9
69.07075	8.9
70.06601	1.0
70.73898	2.1
71.04987	1.9
71.08614	2.2
72.04511	4.1
74.06080	1.5
79.05494	3.4
80.04969	0.9
81.07059	11.4
82.06545	1.2
83.08624	6.0
90.05559	2.4
91.05478	1.9
93.07040	2.8
94.06596	5.0
95.08618	10.3
96.08134	1.3
96.22809	0.9
97.10175	2.4
98.06010	1.2
105.07079	1.0
107.08609	1.6
109.10156	3.7
116.07091	1.9
121.10120	1.7
123.11707	1.4
155.35670	1.1
172.28822	0.8
212.23746	2.4
224.23756	1.1
242.24788	21.3
250.25264	5.5
251.23740	1.1
252.26874	1.0
262.25333	3.8
280.26331	18.1
298.27408	19.2
316.28467	100.0
317.29022	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.03212	0.4
53.03904	0.4
55.05512	4.6
56.05032	2.4
57.03437	2.0
57.07080	3.8
60.04533	18.4
67.05515	5.2
68.05036	3.2
68.15067	0.4
69.07070	5.7
70.06581	1.5
70.28979	0.9
70.29365	1.0
70.91019	0.4
71.04975	1.8
71.08622	1.7
72.04515	1.8
74.06062	0.7
79.05480	1.4
80.04996	0.5
81.07059	5.3
82.06577	0.7
83.04996	0.5
83.08617	3.0
85.10213	0.7
86.06023	0.4
90.05556	1.0
93.07034	0.9
94.06580	4.5
94.53024	0.5
95.08625	5.0
96.08107	0.6
97.10162	0.8
98.06042	1.5
98.20791	0.4
104.65035	0.4
109.10165	1.9
155.82117	0.5
180.98242	0.4
212.23750	0.7
224.23712	0.9
226.25308	1.4
228.40755	0.4
242.24812	22.4
250.25343	3.9
251.23654	1.0
252.26793	1.0
254.24780	0.5
262.25351	1.7
280.26379	10.0
298.27408	13.6
311.81522	0.4
316.28482	100.0
317.28827	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	316.2231
Annotation	Ile Ile Ala
Peak:m/z	Relative Intensity
50.03580	0.3
52.63914	0.3
55.05509	0.8
56.05024	0.4
58.06597	0.4
60.04522	1.0
69.07070	4.9
70.06599	3.1
70.94997	0.4
72.08159	12.9
73.01138	0.7
74.01481	0.3
75.00729	0.7
84.04504	2.3
84.08147	0.9
85.02918	0.6
86.09711	100.0
87.05584	0.4
87.10045	0.6
96.08154	0.3
99.27724	0.3
104.98331	0.4
108.08155	1.2
110.16363	0.3
112.40842	0.3
116.05337	0.5
116.07104	5.4
124.07634	0.9
128.10760	0.5
129.10280	0.6
130.05000	0.7
130.06546	0.9
136.07600	1.1
136.21535	0.3
153.01807	0.4
154.08638	4.1
159.09143	0.4
171.14938	4.4
173.12852	3.0
188.07164	0.8
197.46982	0.3
199.14445	2.3
199.18069	27.9
201.12419	0.6
203.13918	8.9
217.15620	0.5
227.17545	11.0
270.12497	0.5
302.04230	0.5
317.06503	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	316.2232
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
56.05024	0.6
57.05799	0.5
58.65938	0.4
65.73277	0.4
69.07070	4.9
69.51828	3.0
70.06592	1.2
71.62049	0.4
72.08149	0.6
73.01135	0.5
78.80912	0.4
84.04515	0.6
84.08136	0.8
86.09710	100.0
89.07121	0.6
92.02644	0.5
98.21415	0.9
101.97109	0.4
106.48924	0.4
113.50351	0.4
114.09199	0.7
120.08106	0.5
130.06598	0.6
132.10207	4.9
153.01842	3.2
157.13371	53.5
158.13799	0.8
185.12860	17.0
203.13918	2.4
218.05698	0.6
229.04971	1.3
245.04468	0.6
245.18608	1.6
246.05290	0.6
257.04318	0.7
273.03888	0.9
274.04550	1.2
285.03949	0.9
299.09030	0.6
302.04132	4.1
316.15848	0.4
317.06567	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	316.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11828	0.3
56.05036	0.4
61.59578	0.4
67.05492	0.4
69.07072	0.9
69.46741	1.0
69.47164	1.8
70.06580	1.8
70.55789	0.3
72.08158	1.7
73.00776	0.3
73.01135	1.9
74.06087	0.4
79.05447	0.4
84.04502	0.8
84.08146	2.2
86.09709	100.0
87.10023	0.7
88.03999	0.5
100.72752	0.4
112.05087	3.0
120.08158	0.7
129.10251	1.4
132.10220	5.5
135.79019	0.4
150.06616	1.2
157.13373	51.5
158.13683	0.5
184.05417	8.2
185.12860	22.1
196.03268	0.4
203.13943	1.3
245.18649	3.8
252.12331	0.5
280.75296	0.4
287.05487	0.7
302.04092	1.3
317.06525	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	316.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67828	17.5
54.22673	18.2
55.05524	20.8
67.05527	29.9
69.07072	32.8
70.06582	61.0
71.18340	43.2
72.08151	25.2
73.01123	22.8
73.02951	16.7
84.04520	20.4
84.08147	59.5
86.09702	35.0
97.06623	16.2
104.98361	20.5
113.04242	66.5
114.04588	31.5
119.86401	16.2
129.03770	20.2
129.10197	16.1
227.49341	18.0
236.03394	17.8
280.26245	19.3
302.04263	23.1
316.28470	100.0
317.06631	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.05039	1.4
60.04249	0.7
60.04530	7.0
65.26119	0.4
68.05023	0.6
69.07072	7.0
70.02529	1.9
70.06598	47.8
71.06938	0.5
72.08170	4.1
73.01135	1.3
74.06080	0.8
83.06122	1.0
83.97541	0.5
84.04502	4.4
84.08149	6.1
86.09711	100.0
87.05597	2.7
87.10069	0.6
88.03996	0.7
89.28129	0.4
92.02639	0.9
93.03416	0.7
97.38914	0.4
97.63891	0.4
98.02420	0.5
99.02722	0.5
102.05524	0.9
105.03685	0.5
110.07153	0.6
116.07099	36.6
118.06519	0.6
120.01149	0.6
120.08116	0.9
121.02905	0.6
123.04424	0.4
128.10742	3.0
129.06587	0.6
129.10249	2.9
130.05025	1.3
130.06523	2.0
132.08090	1.1
132.10226	0.8
140.03331	0.4
146.06035	1.5
151.03923	1.0
153.01819	3.9
157.09724	4.5
159.09195	0.7
165.97388	0.5
173.12866	18.3
175.11894	0.5
185.09229	3.5
187.08679	0.4
188.07076	2.5
199.18065	23.8
201.12381	3.0
203.13940	3.7
205.09747	1.1
217.05070	0.9
219.13480	1.5
225.10158	0.4
227.17546	7.1
228.04286	1.1
229.05038	1.5
229.15553	1.7
233.04344	0.4
245.04495	0.7
246.05264	0.8
257.04590	0.8
270.11792	2.2
273.04037	0.6
274.04749	1.7
285.04037	1.8
302.04187	5.0
316.06104	0.8
316.12485	1.5
316.18762	2.7
316.22189	0.7
317.06580	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	315.0865
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
54.03730	0.3
55.01872	0.4
55.05503	0.6
58.99588	0.8
60.04529	2.5
61.01136	1.6
67.05481	0.8
68.99802	0.5
69.07063	1.5
71.54973	0.5
72.04513	0.5
73.01129	1.6
79.05486	1.0
81.07039	0.9
83.08620	0.5
84.08137	0.6
87.02672	0.4
91.05473	0.7
93.07041	0.9
95.08594	0.5
96.05752	0.5
97.86227	0.4
99.00822	0.7
99.02679	1.0
101.04227	1.5
101.04848	0.4
104.98335	2.2
105.07030	0.5
111.02659	1.8
112.01591	0.7
112.03432	1.5
113.03529	0.6
113.04247	8.8
115.02142	1.2
116.98293	0.5
118.99879	0.3
121.06532	0.6
123.00838	0.8
123.68352	0.3
127.00283	1.3
129.03732	2.0
132.05620	0.4
133.06496	2.6
135.04417	2.7
142.99844	1.1
144.00661	0.7
145.01410	1.3
157.99248	0.3
159.11618	0.4
160.00102	0.5
161.00887	0.8
161.05975	0.4
168.00566	8.4
168.98064	0.5
182.85982	0.5
183.02837	0.5
186.01614	7.8
187.07523	0.4
194.93459	0.4
226.06236	0.5
227.18915	0.4
229.04973	1.0
250.11766	0.3
257.04559	2.0
272.06821	11.3
283.05972	0.5
285.03909	0.7
299.05499	0.6
300.06302	35.4
301.06647	0.5
314.26981	1.4
315.08636	100.0
315.27274	1.0
316.08994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	15.8
55.05515	4.1
56.05034	5.3
56.76645	2.1
57.03433	2.9
58.06342	3.3
58.06606	40.3
58.31125	2.0
58.99580	7.5
61.01149	4.7
62.99041	2.5
65.03933	2.3
67.05522	3.5
68.05042	13.8
69.03422	3.4
69.07074	4.0
69.82266	5.8
69.82658	5.7
70.06597	37.1
72.08163	31.1
73.01147	100.0
73.06560	3.8
73.08504	6.2
74.00668	20.2
74.01498	3.7
74.01910	2.5
75.00726	59.7
76.03987	3.9
80.11659	2.4
80.96356	3.1
81.09153	2.5
82.06572	4.2
83.07378	11.4
84.04515	20.8
84.07640	3.0
84.08150	50.9
85.02916	6.4
85.04031	17.2
86.09711	27.7
88.02240	2.5
91.05489	10.6
92.01716	9.5
95.01339	9.3
97.02895	5.7
98.97414	8.9
99.02688	32.2
101.04205	2.1
104.98328	18.0
107.10574	2.1
107.99383	2.9
110.07191	6.8
111.04445	2.7
112.03976	21.4
113.02346	2.7
113.03520	5.8
114.03780	5.0
116.00988	2.9
116.01669	6.7
116.04553	4.4
116.05334	62.1
116.07101	65.6
117.07428	4.0
119.04970	6.4
125.06035	3.0
129.10242	19.6
130.05005	39.6
131.04536	12.8
132.10143	2.9
135.10188	3.6
136.07587	25.4
136.10544	6.3
137.05989	6.2
139.00490	20.7
141.01875	6.9
148.02510	20.4
152.24318	2.5
153.05467	4.1
157.03108	3.1
159.02829	2.9
160.00677	3.5
162.02243	2.9
164.07074	8.6
171.06361	2.5
177.03282	50.2
185.02750	5.7
187.02272	3.1
188.01999	6.0
202.05365	25.7
217.06673	3.1
219.08028	63.8
234.02518	2.6
249.09775	3.3
251.02553	3.9
251.05212	75.8
315.03885	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	315.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01663	1.4
55.01879	12.4
56.05012	2.5
56.96561	2.3
58.06605	31.7
61.01137	5.6
67.05508	3.6
68.05038	13.6
69.03416	2.3
70.06251	1.7
70.06599	19.7
71.12250	2.3
71.12588	2.2
72.08149	5.2
73.01121	1.7
74.00674	23.1
76.04005	1.8
82.06589	4.0
83.06107	1.7
83.07367	10.5
84.04500	14.2
84.08150	32.9
85.04033	20.2
86.09684	5.8
90.03770	3.7
92.01734	8.3
95.97543	1.3
98.97559	2.5
104.30233	1.6
104.98322	19.4
110.07177	2.1
112.03982	8.7
112.08714	2.2
113.03484	6.0
114.03768	2.0
116.06335	2.8
116.07106	36.1
116.07919	1.8
116.98635	1.8
129.10262	4.9
130.04039	2.7
130.05014	48.1
130.99741	1.4
131.04546	17.9
137.05927	1.7
148.02507	25.4
152.93535	2.3
164.07092	11.0
166.08578	2.2
176.02023	3.5
177.03291	53.5
188.02020	6.0
194.08075	2.0
207.07935	2.3
234.02554	4.1
235.07486	2.4
251.05206	100.0
252.10223	2.0
292.04623	1.7
315.07385	3.1
315.10577	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	315.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.1
55.05500	3.2
56.05023	7.6
57.94276	2.2
58.06341	3.0
58.06606	34.0
58.99585	5.5
68.05013	6.4
69.81603	5.5
69.82007	8.6
70.06596	38.1
71.06934	4.2
72.08144	10.7
72.12884	2.4
73.01138	11.4
74.00666	5.0
76.03994	3.7
81.07111	2.1
82.06582	5.4
83.06121	12.2
83.07364	3.2
84.04515	19.4
84.08149	22.0
85.04027	5.0
86.09706	17.9
86.99058	4.2
88.02221	2.8
91.05458	2.3
96.77963	2.7
98.20776	4.4
99.02681	41.2
104.98341	3.4
110.07170	5.1
112.03970	16.1
116.01691	10.4
116.05329	84.3
116.07103	49.7
129.10260	10.2
130.05016	15.2
131.04527	6.4
136.07541	2.4
137.06024	4.1
143.84184	2.3
148.02484	11.5
170.13698	2.9
177.03322	19.3
202.05330	38.6
207.08142	5.9
217.06429	2.6
219.08009	100.0
251.05190	37.1
252.10356	2.9
315.14316	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.0
55.05521	1.3
56.05030	4.5
56.96574	15.9
58.06604	52.4
58.99595	9.3
60.04541	1.6
61.01155	19.4
65.03958	1.3
67.05519	2.1
69.03425	2.9
69.07079	1.1
70.06599	14.8
70.31412	3.9
70.99594	2.7
72.08156	11.5
73.01133	6.9
73.02927	17.8
74.00671	12.6
74.06081	2.0
75.80289	1.0
76.02231	3.0
82.06583	5.4
83.07384	1.2
84.04495	5.7
84.08150	28.0
84.96048	1.2
85.02908	4.8
86.09715	10.9
86.99060	3.4
87.05595	1.3
88.03991	2.3
90.03779	3.2
94.06575	1.3
96.08124	1.6
97.02913	2.8
98.97594	14.4
99.02715	5.4
100.07623	3.5
101.00836	1.1
104.98324	100.0
107.99427	3.5
110.07184	4.1
110.97548	1.3
112.03964	1.0
112.07656	1.6
112.08782	1.0
116.05340	9.9
116.07095	4.0
116.98634	12.9
117.99608	1.6
119.01902	5.4
120.01169	14.8
122.02743	3.1
127.03926	2.2
128.07074	3.6
128.98601	1.3
129.10262	11.5
130.05023	1.9
130.08640	2.6
130.93314	1.9
130.99866	5.6
134.06027	6.2
134.99669	6.2
136.07576	6.5
136.97321	3.5
137.05936	1.8
137.08348	2.2
138.05531	1.2
138.09085	1.1
139.00633	1.5
139.08690	4.3
141.02251	1.7
143.01932	3.6
145.03197	24.4
145.04951	1.6
146.04871	1.2
146.99690	1.6
147.04413	1.1
148.02490	6.1
148.07567	3.3
150.05539	3.1
153.99922	2.4
154.94171	1.2
155.04659	1.5
158.99551	2.4
159.03284	4.9
160.04289	2.3
161.02948	6.9
162.05853	53.7
163.02789	3.9
163.08696	6.0
164.07082	81.5
164.89851	1.0
165.00659	1.1
166.08644	20.1
167.08185	2.2
171.11389	1.4
171.14949	1.1
172.95357	1.3
173.03094	1.0
174.04524	2.5
174.97647	2.0
176.07130	3.1
177.00401	6.7
177.04437	1.5
178.08630	1.5
181.04015	0.9
181.09770	3.6
183.05208	1.1
185.01176	1.8
185.03009	1.6
186.04419	2.8
187.00932	1.3
192.98735	3.2
194.03073	85.2
194.08113	11.6
195.08775	1.4
200.13966	1.4
203.02312	2.9
203.04044	2.3
204.05598	1.9
205.03868	1.6
207.08134	1.7
208.10841	1.3
218.06618	2.0
219.01813	1.2
221.15208	1.0
228.05429	2.2
228.98904	1.0
229.03865	2.0
232.96596	1.6
235.07645	2.0
237.02863	2.0
245.05154	1.4
252.10225	4.6
253.00333	1.5
253.10118	1.7
255.03584	1.5
258.55911	1.1
279.09659	2.0
284.73856	1.2
287.10019	1.7
297.11328	6.2
315.07562	23.1
315.11761	4.8
315.16782	2.0
333.08591	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	315.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92529	1.1
55.05507	1.8
56.05022	1.3
57.03432	1.4
58.47137	1.1
58.99587	16.6
60.04530	7.0
61.01156	17.4
61.60553	0.9
61.90446	1.1
62.16055	1.0
64.21487	1.0
64.26992	1.0
67.05517	8.1
69.07081	19.0
69.97909	3.9
69.98311	2.4
70.99569	3.1
72.08167	1.4
73.01147	14.8
79.05502	9.8
81.07056	3.1
82.07833	1.2
84.08154	1.6
85.01123	1.6
87.02702	1.6
91.05493	2.0
93.07029	3.2
95.04979	3.1
95.08613	1.9
96.05741	3.8
97.01105	2.0
97.06520	7.2
97.07616	1.3
99.02690	8.1
101.04245	14.7
102.96758	2.8
103.97521	3.2
104.98325	34.1
105.07044	2.4
107.08614	1.9
111.02665	15.5
112.03453	16.7
113.04240	100.0
114.04996	2.2
115.02158	4.9
119.08589	1.3
121.06511	3.8
121.10126	1.5
127.02131	3.5
129.03716	29.8
130.04529	7.3
131.05226	3.3
133.01414	2.9
135.08029	1.2
136.95485	2.9
142.99872	9.0
144.00627	5.7
145.01424	11.3
145.10130	1.6
151.07533	2.5
154.20232	1.1
156.66069	1.0
161.00906	8.0
168.52495	1.1
219.17590	1.2
297.18460	1.5
300.06198	1.3
315.08325	2.3
315.19638	2.3
315.27179	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74181	0.7
53.03936	1.2
53.20982	0.6
55.05500	1.7
56.96555	1.2
57.03435	0.9
58.99591	17.6
60.04259	0.8
60.04527	5.1
61.01156	4.2
65.03921	2.0
67.05505	9.1
67.25316	0.7
68.06273	1.5
69.07072	42.6
69.98994	3.2
70.07829	0.8
72.04507	1.3
73.01142	7.6
78.96774	3.5
79.05502	9.1
81.07068	1.4
83.08682	0.8
84.08134	1.1
85.01125	1.8
86.99102	1.5
87.02699	3.4
89.00625	1.8
92.98333	1.3
95.04946	4.0
95.08591	1.1
96.05760	5.8
97.01102	5.3
97.06541	16.6
98.01900	0.7
99.02683	9.0
100.03489	0.9
101.04250	26.0
103.97555	1.0
104.98325	3.4
107.01662	3.4
107.08544	1.0
109.10144	1.1
110.93952	5.2
111.02676	35.8
112.03458	24.8
113.04237	100.0
114.05067	0.9
115.02174	13.8
116.98328	2.2
118.99894	0.9
120.97780	2.0
121.10149	1.3
127.02137	2.6
127.05778	0.8
128.02919	1.3
129.03709	32.7
130.04498	18.2
131.05258	5.2
133.01418	5.6
136.95537	1.1
137.06049	0.8
139.20673	0.8
142.99850	13.1
144.00633	3.1
145.01407	2.6
161.00925	10.0
174.97098	1.1
176.98555	1.0
191.00171	1.5
209.01268	1.2
240.98448	1.1
314.26895	2.5
315.27216	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	315.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05538	1.0
58.99599	15.0
59.63493	1.1
60.04512	3.3
61.01155	18.8
65.03942	1.9
67.05503	6.2
68.06302	0.9
69.07070	14.2
69.91865	1.9
69.92280	3.6
70.99601	2.3
72.00354	1.5
72.04498	1.4
73.01153	9.4
73.13406	1.0
77.43851	1.0
79.05493	8.7
81.07068	2.2
84.08179	1.1
85.01137	1.8
87.02687	1.8
93.07018	1.2
95.05000	2.2
95.08604	2.0
96.05762	3.0
97.01112	2.8
97.06532	7.3
98.21424	1.2
99.02682	5.7
101.04250	19.1
102.96738	1.1
103.97539	3.0
104.97616	1.8
104.98328	33.2
107.08604	1.1
107.46173	1.0
109.10191	1.3
111.02682	25.8
112.03461	15.9
113.04244	100.0
115.02171	19.2
119.08624	1.1
121.06503	1.5
127.02131	3.1
129.03717	28.0
130.04489	10.4
131.05269	3.0
133.01410	3.0
136.95517	1.9
142.99863	10.5
144.00635	4.2
145.01427	3.6
152.06544	0.9
161.00938	15.4
235.02829	2.2
241.00238	1.2
282.80722	0.9
296.25861	1.2
300.22733	1.0
306.12939	1.1
314.26889	3.1
315.08194	1.0
315.26917	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	315.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05504	2.1
56.05033	1.1
57.03436	0.9
57.73944	0.5
58.99293	0.6
58.99588	11.4
60.04530	23.9
61.01157	5.9
61.04864	0.6
64.33146	0.5
65.03953	1.3
67.05506	7.8
69.07070	19.2
69.43994	3.7
70.06586	0.9
70.99589	0.9
72.04516	2.2
73.01144	10.0
77.63864	0.5
78.96783	2.0
79.05496	10.0
80.05029	0.6
80.05846	0.5
81.07056	3.0
82.06558	0.6
83.04990	0.7
83.08614	1.1
84.08164	0.8
85.01117	1.5
85.06548	0.8
86.09742	0.8
87.02708	1.5
88.03487	0.6
89.00625	1.0
89.04259	0.6
91.05479	1.7
93.07038	2.4
94.06561	0.6
95.04989	2.7
95.08599	3.0
96.05764	2.5
97.01141	2.5
97.06539	11.7
99.02684	6.6
101.04247	15.0
102.96756	1.1
103.97513	2.4
104.98318	9.4
105.07040	1.1
107.08613	1.0
109.10158	1.9
110.93951	6.6
111.02676	19.4
112.03453	12.6
113.04237	100.0
114.05017	1.5
115.02168	3.9
115.05820	0.6
116.98311	1.6
117.07006	0.8
118.99857	0.6
119.08555	0.7
120.97840	0.7
121.10145	1.7
127.02152	0.9
127.05745	0.7
128.02907	0.8
129.03706	20.6
130.04489	11.4
130.99838	0.8
131.05255	5.1
131.08522	0.6
133.01389	2.7
133.91858	0.4
135.11655	0.8
136.95485	2.6
137.00912	1.3
139.05717	0.7
142.99864	8.5
144.00629	6.5
145.01437	3.7
145.10181	0.7
159.02988	1.6
159.11591	0.5
161.00920	5.0
161.04605	0.8
162.01654	0.6
164.98633	0.6
174.96989	0.9
176.98703	0.8
177.99393	0.5
191.00247	0.6
194.83025	0.5
209.01320	1.0
235.02765	0.6
240.98409	1.5
278.24817	1.4
279.25052	0.7
296.25858	2.2
314.26923	8.6
315.08044	0.8
315.19879	0.9
315.23853	0.6
315.27127	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05503	1.7
56.05040	0.6
57.07074	1.1
58.99590	10.8
60.04529	21.6
61.01156	5.9
61.04840	0.5
65.03936	1.2
67.05504	7.4
68.06276	0.9
69.07075	20.2
69.07456	1.0
69.99043	2.3
70.07836	0.7
70.99577	0.9
72.00381	0.6
72.04513	1.9
72.07793	0.5
73.01142	11.3
74.06075	0.6
75.02687	0.6
78.96791	2.3
79.01714	0.5
79.05496	10.3
81.07066	2.8
83.04976	0.6
83.08615	0.9
83.53634	0.5
85.01143	2.8
85.06512	0.6
87.02689	1.8
88.03467	0.6
89.04236	0.9
90.05583	0.5
91.05491	0.8
92.94753	0.7
93.07047	1.7
95.04977	2.4
95.08618	2.3
96.05745	2.2
97.01104	2.1
97.06536	11.3
98.01929	1.2
98.06084	0.6
98.20792	0.7
99.02686	6.4
101.04246	16.4
102.96787	1.0
103.97546	1.8
104.98319	9.5
105.07058	1.1
107.01646	0.5
107.08608	1.2
109.10178	1.3
110.93959	6.1
111.02679	20.4
112.03461	13.7
112.69048	0.4
113.04237	100.0
114.05009	1.0
115.02163	4.8
116.98318	1.8
117.07072	0.8
118.99902	0.9
119.08609	0.9
120.97824	0.7
121.10139	1.4
127.02151	0.9
127.05831	0.9
128.02917	0.6
129.03711	20.3
130.04494	9.4
130.55525	0.5
130.99870	1.3
131.05287	5.1
131.08554	0.5
133.01410	2.7
133.10106	0.5
133.31689	0.5
136.95438	2.8
137.00897	1.1
142.99867	9.0
144.00653	6.1
145.01407	4.1
157.10165	0.5
159.03018	0.9
160.89047	0.5
161.00940	3.8
176.98691	0.9
177.04134	0.8
185.04591	0.6
191.00197	1.0
209.01347	1.2
240.98454	2.5
279.25266	0.6
296.25925	2.2
314.26941	6.9
315.00299	0.6
315.08591	0.6
315.27249	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64810	0.7
57.07070	1.8
58.99594	8.8
60.04551	4.9
60.67272	0.9
61.01150	4.9
65.03938	0.8
67.05512	4.8
69.07077	13.1
69.93406	1.8
69.93800	1.7
70.17614	0.8
70.99565	1.1
72.04524	6.6
73.01147	11.7
78.96777	1.4
79.05499	7.1
81.07044	1.7
81.28703	0.8
85.01124	1.7
89.04281	0.8
95.04966	1.0
95.08571	1.6
96.05745	2.3
97.01141	1.6
97.06534	9.0
97.10162	1.1
99.02675	5.5
101.04259	14.5
103.97524	1.9
104.98319	9.7
110.93958	7.3
111.02672	13.9
112.03455	10.9
113.04240	100.0
115.02158	2.3
116.98347	1.1
121.10209	1.0
129.03716	18.8
130.04492	9.2
130.99823	1.2
131.05309	4.8
133.01421	2.3
136.95505	1.3
142.99850	6.9
144.00636	6.3
145.01404	3.5
159.02950	1.9
161.00896	3.3
174.97078	1.0
238.93187	0.8
240.98389	2.0
241.84377	0.9
279.23257	2.2
296.25858	2.3
314.26813	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	314.2691
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
51.04140	0.8
52.32957	0.7
55.05513	6.7
56.05033	2.5
57.03409	1.0
57.07079	23.4
57.25828	0.8
58.06593	1.2
60.04531	31.8
67.05508	12.4
69.03431	5.4
69.07081	10.1
69.26064	9.1
71.04970	0.9
71.08640	14.4
72.04522	100.0
79.05500	2.1
79.85633	0.8
81.03425	1.1
81.07063	12.9
82.40031	0.9
83.08633	6.5
84.04486	1.5
85.10178	6.4
86.06054	4.4
89.19032	0.9
90.05547	6.4
93.07036	1.8
95.08610	19.4
97.10165	3.9
109.10156	9.9
111.04421	1.3
111.11710	2.3
117.27497	0.9
123.11712	2.8
137.13286	1.3
182.58569	1.0
211.20647	3.5
228.23169	1.3
243.23222	2.7
258.05615	0.9
258.93817	0.8
266.24844	4.3
267.23282	1.0
268.26465	3.6
278.24829	1.1
279.23206	29.5
296.25870	32.2
314.26904	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	314.2691
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
52.85323	0.4
53.03950	0.6
55.05519	7.3
56.05045	3.4
57.03443	3.1
57.07064	2.1
58.02949	0.6
60.04530	19.1
67.05226	0.5
67.05513	5.6
68.05027	1.5
68.97246	0.5
69.07078	6.5
70.06580	1.6
70.09029	1.8
71.04996	0.6
71.08640	0.8
72.04519	2.7
74.06068	1.0
79.05496	3.7
80.05027	4.4
81.03435	0.7
81.07066	5.7
82.06593	5.1
83.04993	1.0
83.08626	3.5
84.04502	0.9
86.06078	3.0
86.30145	0.5
89.65205	0.4
90.05540	1.8
91.05492	1.5
93.07056	4.5
94.06570	1.9
95.04972	0.7
95.08614	3.3
96.04488	1.0
96.08112	1.8
97.06500	0.9
97.10172	1.8
98.06064	4.7
98.21561	0.5
105.07015	0.5
106.06561	0.7
107.08598	1.6
109.10158	1.3
110.06074	2.5
114.05547	0.9
116.07087	1.3
120.08076	0.6
121.10159	1.8
123.11705	0.8
124.07596	1.1
132.06583	5.5
134.09676	0.9
135.11626	0.9
138.09142	0.7
156.10231	0.6
179.13751	0.5
186.88249	0.6
210.22177	1.4
222.22231	6.9
240.23251	10.9
240.25668	0.7
248.23824	1.0
260.23792	1.5
278.24792	5.4
296.25900	12.4
314.26910	100.0
315.27383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1387
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
50.18085	0.3
51.02381	0.4
53.03949	1.8
61.18209	0.3
65.03934	0.4
65.41850	0.3
66.79145	0.3
69.33199	0.3
70.06606	0.3
70.81235	0.3
70.81573	0.7
77.03964	0.4
84.08156	0.4
89.03921	5.3
91.05487	10.1
93.06464	0.7
93.07054	11.7
95.04971	2.6
103.05474	9.5
105.04536	0.8
106.04200	0.3
117.03387	21.2
119.04951	5.6
121.06514	55.5
122.06882	0.4
134.03632	1.4
135.04430	1.3
136.05199	0.5
143.10953	0.3
145.02856	53.0
147.04419	17.0
149.05983	5.9
151.07549	1.8
158.06041	0.5
162.03137	0.5
163.03926	0.9
176.78857	0.3
177.05482	100.0
178.05814	0.7
186.05539	0.8
194.08110	1.1
220.09766	0.3
314.13879	28.4
315.14185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
60.04546	0.2
65.03944	0.9
67.05510	0.3
69.07063	0.3
69.90527	0.6
69.90952	0.4
70.02908	0.2
70.06599	1.2
72.08161	1.3
73.01144	0.2
81.07063	0.2
81.26548	0.2
84.04531	0.3
84.08147	1.0
85.02913	0.3
86.09711	1.8
88.03983	0.3
89.03905	0.2
91.05487	14.3
93.07066	0.5
95.04983	1.0
101.51074	0.2
103.05483	0.5
109.08923	0.2
117.03388	0.5
119.04951	29.1
120.08105	3.2
121.06516	2.0
121.07308	0.2
121.07632	0.3
121.08424	2.1
129.10251	0.3
130.08624	0.3
134.99348	0.2
136.05180	0.5
136.06136	0.2
137.05980	0.4
138.09190	0.3
145.02866	1.5
147.04419	100.0
148.04758	0.7
151.07561	6.6
168.10211	0.5
177.05464	3.2
187.10776	0.4
190.43379	0.2
201.12440	0.3
215.10316	0.2
239.87207	0.2
252.04547	0.2
298.10660	0.4
314.13992	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.8
57.03436	26.2
57.07079	67.1
58.25444	1.6
67.05512	13.4
67.63729	1.6
69.07069	12.3
71.08635	44.5
71.50536	2.3
75.09327	1.5
81.07059	17.9
83.08623	14.8
83.96792	1.4
85.10181	28.0
89.06009	3.8
91.94366	2.0
93.07043	2.8
93.95274	1.5
95.08042	2.5
95.08610	23.9
97.10165	6.1
98.93741	1.5
100.43563	1.7
104.45976	1.5
109.10150	10.7
111.11703	1.6
116.33506	1.5
123.11695	5.2
132.95711	1.6
137.13257	2.0
173.91406	1.6
185.68216	1.7
239.23637	4.5
257.24789	6.8
298.27371	1.8
313.27359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
58.99589	0.6
61.01136	1.3
65.03939	0.6
67.05495	0.7
69.07056	0.9
70.06583	1.3
70.88498	0.9
71.44025	0.4
72.08139	0.4
73.01160	0.5
75.42560	0.3
79.05437	0.6
81.03420	0.5
84.08151	0.5
89.03917	5.9
91.05483	11.5
93.06469	0.6
93.07048	10.0
95.04977	2.8
97.06542	0.6
100.07614	0.4
101.04248	0.9
103.05470	8.4
104.98322	1.2
105.04539	0.8
106.04170	0.6
111.02657	0.7
112.03487	0.5
113.04234	4.6
115.02149	0.7
117.03384	21.2
119.04939	8.6
121.06508	57.5
129.03696	0.9
134.03629	1.5
135.04411	1.0
136.05191	0.5
142.99864	0.6
145.02847	49.1
146.49605	0.3
147.04414	27.6
149.05975	6.6
151.07562	2.4
162.03108	0.3
163.03903	0.8
177.05475	100.0
178.05824	0.5
186.05516	1.1
194.08249	0.8
246.44957	0.3
250.98302	0.3
298.10843	0.5
314.13870	25.6
314.26773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	0.7
55.05272	0.5
55.05520	7.0
57.03444	16.6
57.07081	56.5
62.32608	0.5
67.05177	0.8
67.05512	11.5
69.07072	9.4
70.80977	1.5
71.08636	36.4
73.82023	0.5
75.04479	0.7
75.79438	0.5
77.83573	0.5
81.07064	14.5
83.08627	10.8
85.10191	20.4
89.06029	2.9
93.07054	1.4
95.08618	19.8
95.32668	0.6
97.10178	6.3
99.11735	0.8
103.07578	2.3
109.10163	9.8
111.11689	1.9
112.03463	0.5
115.77892	0.5
123.11737	3.7
125.13266	0.8
137.13240	1.8
151.14728	0.6
191.34969	0.5
219.60738	0.5
223.64262	0.5
239.23764	3.2
257.24820	6.1
298.27289	0.6
313.27380	100.0
313.36517	2.5
314.27637	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00331	0.6
55.05513	6.1
56.68696	0.3
57.03444	11.2
57.07080	44.9
58.07388	0.3
63.44879	0.3
65.03940	0.3
67.05167	0.6
67.05510	8.7
67.98009	0.3
69.07071	7.3
71.00522	0.6
71.04991	0.4
71.08636	29.3
71.12650	0.3
72.96104	0.3
74.33234	0.3
79.05506	1.2
79.06194	0.3
81.07060	10.7
83.04997	0.6
83.08627	8.5
85.06570	0.3
85.10188	14.6
86.10497	0.3
89.06053	1.7
93.07051	1.1
95.08613	16.9
97.06559	0.8
97.10174	4.7
99.08106	0.4
99.11732	0.8
101.06096	0.3
103.07609	1.4
107.08591	0.6
109.10162	7.3
111.11729	0.9
117.09151	0.4
121.10153	0.6
123.11720	2.6
125.13294	0.6
131.73555	0.3
135.11719	0.4
137.13290	1.6
151.14812	0.5
157.12267	1.4
196.75465	0.3
211.06366	0.3
221.22699	0.4
239.23686	3.1
257.24799	2.8
313.10727	0.9
313.27374	100.0
314.27603	1.2
317.89664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
55.95984	0.3
63.02381	0.6
67.05507	0.4
67.18237	0.2
67.35917	0.2
67.93321	0.3
69.07034	0.3
69.34395	2.5
70.06601	0.6
72.08120	0.4
78.04735	0.4
78.46416	0.3
79.05512	0.4
81.07082	0.4
84.08153	0.4
89.03923	9.4
91.05500	1.1
95.04962	0.3
103.05479	1.4
105.07059	0.5
106.04201	0.5
107.04967	5.4
107.08673	0.3
110.07201	0.3
113.04249	0.4
115.05476	1.3
117.03390	31.9
117.07034	2.0
119.04925	0.6
120.08156	0.4
120.39119	0.3
124.05251	0.4
131.04933	0.5
134.03618	2.2
135.04417	1.9
137.06007	1.7
139.19887	0.3
143.05002	0.4
145.02858	62.6
145.06494	12.5
145.10149	0.3
146.03143	0.6
147.11690	0.3
149.05991	9.4
151.03871	0.5
155.06050	1.1
158.06070	0.3
163.03882	0.6
163.07570	0.3
171.04338	0.3
175.07576	0.4
177.05484	100.0
178.05829	0.8
186.05460	1.5
189.05519	0.5
189.11082	0.3
198.14909	0.7
237.09402	0.4
249.24300	0.3
313.07083	0.8
313.10779	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01872	15.1
55.05503	33.4
57.07076	14.1
60.04519	12.7
61.18857	6.8
63.91998	6.3
67.05511	50.2
69.07063	25.3
70.06583	9.7
71.04994	22.1
71.08643	67.1
75.06235	6.8
75.77211	7.0
78.76012	7.0
79.05489	25.1
81.07033	47.6
83.04977	17.2
83.08631	21.9
85.06538	12.7
91.05497	25.5
93.07037	61.0
95.04935	15.8
95.08575	39.1
96.26015	7.5
97.10161	12.3
99.08086	29.4
105.07019	17.8
107.08596	24.6
109.06511	6.9
109.10146	23.9
111.65298	7.2
113.04247	13.6
117.03355	8.8
119.08595	21.3
121.06555	9.7
121.10166	33.9
125.09638	9.6
126.26966	6.9
127.11232	10.4
131.08609	8.3
133.10190	8.4
135.11636	17.5
141.12773	45.3
142.99794	8.0
145.10109	16.2
147.11697	8.6
147.24510	9.2
151.11192	10.8
154.89934	7.9
157.10100	10.2
159.11705	8.0
161.13318	10.2
163.11211	25.0
169.12303	24.9
177.05519	12.7
179.14310	11.9
204.11597	7.9
255.05316	9.7
259.20670	7.4
277.21707	56.5
295.22708	100.0
295.25769	9.8
298.08185	9.6
302.26086	7.2
313.07205	14.0
313.10684	23.5
313.21564	18.7
313.25616	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
53.80889	0.4
55.01878	2.1
57.03436	1.0
58.99598	0.5
61.02932	0.6
62.99078	1.5
63.99867	1.1
65.00643	0.9
65.31290	0.4
65.43504	0.4
67.05508	0.7
69.03426	3.1
69.91254	1.6
71.04988	0.6
73.01147	100.0
74.01945	1.9
75.02710	0.8
78.96792	2.7
79.05508	0.6
80.62770	0.4
81.00126	1.1
81.07056	0.4
83.05022	0.5
85.01138	0.4
85.02920	1.8
87.02701	0.5
95.01334	3.9
96.97827	7.0
97.02905	1.1
97.06551	0.5
99.04475	0.9
101.00610	2.4
101.02419	0.5
109.02912	0.7
111.04443	1.1
113.02400	1.1
115.02159	0.7
116.01104	0.9
125.05995	1.3
129.01874	1.4
129.03732	1.2
131.01654	2.0
137.00914	16.7
139.02115	0.5
139.03868	0.4
141.01779	2.4
141.05577	0.6
143.01680	0.9
153.05492	2.8
157.03171	1.9
157.05029	1.0
162.80995	0.4
169.03311	0.6
169.04985	0.5
171.06560	4.4
175.04178	0.5
177.03972	2.4
185.02679	8.0
187.04308	0.5
196.01979	0.5
199.06104	0.6
203.03734	2.3
204.04779	0.5
217.07242	0.5
221.04921	1.2
239.02345	1.6
249.02504	0.5
295.03052	3.6
313.04111	8.3
313.07513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
55.01877	1.6
55.05507	0.7
57.03440	1.9
58.99578	0.6
59.96740	0.5
61.02948	0.5
62.99083	2.8
63.94450	0.6
63.99860	1.9
65.00629	1.3
68.79098	0.5
69.03438	3.0
70.99258	0.6
70.99578	0.8
71.09994	0.5
73.01147	100.0
74.01569	0.7
74.01927	3.8
75.02715	1.5
78.84553	0.5
78.89487	0.4
78.96775	4.1
79.05496	0.7
81.00127	1.9
81.07032	0.5
83.05011	0.8
85.01124	1.1
85.02915	2.0
87.02687	0.8
95.01340	5.2
95.05000	0.6
96.97823	8.9
97.02911	1.6
97.06542	0.7
101.00636	1.7
101.25721	0.4
103.02209	0.7
109.02885	1.0
111.04477	1.1
113.00627	0.5
113.02419	1.4
115.02177	1.6
115.03970	0.7
116.01118	1.7
125.06005	0.9
127.02159	0.6
127.03951	0.5
129.01895	1.1
129.03754	1.4
131.01634	1.7
137.00909	19.9
137.88878	0.4
141.00044	0.5
141.01845	3.8
141.05460	0.8
143.01677	0.9
145.03224	0.5
153.05467	2.6
155.01648	0.7
157.03233	2.3
157.05025	1.0
159.02943	0.9
171.06566	2.1
175.04295	0.9
177.03902	3.1
185.02692	8.2
199.05820	0.6
203.03809	2.1
204.04448	0.5
215.03743	0.6
221.04910	1.8
239.02295	2.5
249.02473	2.8
251.74596	0.4
295.02835	1.1
313.00568	0.7
313.04135	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	313.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.05506	0.6
57.03436	1.7
58.99591	0.6
61.02930	0.7
62.99089	2.9
63.50214	0.4
63.99863	2.8
65.00623	0.7
67.05502	0.9
69.03439	2.9
70.06598	1.3
70.61086	0.8
71.01357	0.8
71.04980	0.4
72.08160	0.8
73.01145	100.0
74.01546	0.7
74.01914	2.6
75.02727	1.5
78.96785	4.9
79.05512	0.6
81.00131	1.0
83.04962	0.8
84.08156	1.4
85.01131	1.0
85.02906	2.0
85.98042	1.2
86.09710	1.3
87.02702	0.8
95.01345	4.2
95.04978	0.7
95.40903	0.4
96.97821	14.0
97.02903	1.9
97.06544	0.9
99.04453	1.2
101.00603	4.2
101.02412	0.7
107.04941	0.5
107.53913	0.4
109.02892	1.8
110.07143	0.7
111.00806	0.5
111.02675	0.5
111.04470	1.2
113.00412	1.4
113.02407	0.9
115.02174	1.4
115.03951	0.8
116.01090	1.3
119.01627	0.6
121.02908	0.9
125.06017	1.8
127.03948	1.0
129.01839	1.2
129.03694	0.6
131.01651	1.2
136.07578	0.6
137.00909	14.1
138.93762	0.4
141.01842	3.3
141.03708	1.5
141.05479	0.8
143.01656	1.3
148.97049	0.7
153.05490	2.6
155.01698	0.4
157.03200	4.7
157.04976	0.4
159.02927	1.3
169.05067	0.7
171.01094	0.5
171.06544	2.7
177.03944	2.3
185.02686	15.7
185.04337	0.8
196.01970	0.9
199.06113	1.0
203.03712	2.8
213.02129	0.5
215.03906	0.6
221.04774	2.5
231.03314	1.3
239.02251	1.4
249.02484	3.2
295.03149	1.3
313.00690	0.8
313.04001	3.6
313.07309	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05520	0.6
57.03433	1.5
61.01151	0.5
62.99076	2.3
63.99859	1.3
65.00642	1.4
67.05487	0.5
69.03427	3.3
70.10063	1.7
70.10433	0.8
71.01349	0.5
71.04984	0.6
73.01144	100.0
74.01923	1.9
75.02717	1.8
78.04190	0.4
78.96778	2.6
79.05499	0.6
81.00126	1.1
83.01331	0.7
83.04985	0.6
85.01147	1.0
85.02911	2.4
87.02685	0.8
89.00642	0.5
92.99886	0.4
95.01322	3.9
96.97816	7.3
97.02917	0.8
97.06532	1.1
99.04459	0.5
101.00616	3.0
107.05045	0.5
109.02869	0.4
111.02723	0.6
111.04472	0.9
113.00599	0.8
113.02362	1.0
116.01103	1.4
125.05980	1.2
127.03909	0.5
129.01868	1.5
129.03752	0.9
131.01659	0.8
137.00903	15.8
137.68507	0.4
139.57051	0.4
141.01825	3.4
141.03676	0.6
141.05452	0.7
143.01663	1.2
153.05484	3.3
157.03229	1.2
157.05005	0.8
159.02861	0.8
169.03215	0.5
171.06546	4.2
175.00681	0.4
175.04234	0.4
177.02605	0.5
177.03922	2.0
185.02689	7.2
187.04247	0.6
199.06029	0.8
203.03632	2.0
221.04875	1.3
231.03705	0.4
239.02226	2.0
249.02533	1.2
295.03116	3.0
313.04089	9.0
313.07520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01873	1.7
55.05525	0.5
57.03437	2.3
61.02920	0.6
62.99072	2.9
63.99868	2.5
65.00643	1.9
67.05505	1.3
69.03440	3.7
70.99123	0.8
70.99458	0.9
71.05000	1.2
73.01149	100.0
74.01929	4.0
74.04681	0.5
75.02722	1.8
78.96792	6.2
79.05504	1.0
81.00120	2.1
83.04989	1.1
84.08144	0.7
85.01146	1.2
85.02892	2.6
87.02715	1.5
95.01330	5.9
96.97826	16.1
96.98441	0.9
97.01102	0.5
97.02912	1.8
97.06580	0.8
99.04483	0.9
101.00609	3.5
101.02392	0.6
103.02200	0.5
107.04926	0.6
109.02887	1.1
111.02666	1.0
111.04420	0.8
113.00600	1.0
113.02393	1.4
115.02192	1.5
115.03931	1.3
116.01098	2.4
125.06049	1.1
127.03902	0.9
129.01843	1.1
129.03738	1.8
129.05510	0.6
131.01637	2.5
137.00912	21.9
139.02193	0.6
141.01830	4.0
141.03693	1.1
141.05507	1.3
143.01637	1.6
143.07014	0.6
153.05513	1.9
157.03258	2.2
159.02928	1.1
169.05031	0.7
171.06580	1.6
175.04283	1.7
177.04044	2.3
185.02707	6.1
197.02921	0.6
203.03806	4.7
212.20448	0.5
215.03806	0.7
221.04759	3.0
221.38213	0.6
231.03523	0.7
239.02347	2.4
249.02637	1.7
313.04150	10.6
313.07532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99969	0.8
55.01874	0.9
55.05518	6.1
56.05034	3.0
57.07073	3.2
60.04532	80.8
67.05517	11.7
69.03419	1.5
69.07072	7.8
69.14378	0.8
70.09087	1.9
70.09474	1.5
71.08627	1.6
72.04523	30.2
76.57618	0.8
79.05499	9.0
80.05008	1.4
81.03416	2.4
81.07065	10.6
82.06571	1.5
83.04988	3.1
83.08608	3.8
84.04504	1.5
85.10191	1.4
90.05557	1.3
91.05486	9.3
92.43748	0.8
93.07046	12.3
94.06583	2.2
95.01317	1.2
95.04954	3.3
95.08617	8.1
96.04501	1.1
96.94609	0.9
97.06548	4.7
97.10191	1.8
105.07042	6.0
106.06587	1.5
107.04967	2.0
107.08620	4.6
108.08126	2.3
109.06535	3.2
109.10165	4.7
110.06052	1.0
111.11756	1.2
116.27103	0.9
117.07050	2.1
119.08611	7.4
120.08103	2.1
121.06488	6.0
121.10159	5.2
122.09689	1.1
123.04437	0.9
123.08076	1.6
123.11722	1.3
126.05522	2.7
131.08606	1.5
133.06519	1.7
133.08932	1.0
133.10130	4.4
134.09682	0.9
135.08069	2.6
135.11707	3.4
137.09657	1.0
138.09158	3.1
146.09666	1.4
146.65851	1.1
147.08044	1.6
147.11652	1.4
161.09653	1.2
161.13326	1.2
168.17526	1.5
205.19427	1.0
217.19495	3.9
223.20610	3.1
235.20679	3.9
238.92467	0.9
245.21353	1.1
246.22208	2.6
247.20589	3.2
248.23840	1.2
258.22253	2.8
259.20627	2.5
264.23218	1.4
266.24777	1.5
276.23276	9.7
277.21698	3.2
294.20932	1.1
294.24307	27.7
312.25354	100.0
313.25677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01874	2.8
55.05512	3.3
56.05030	7.0
56.56657	1.8
57.03442	7.6
60.04512	2.1
61.02932	12.0
69.03438	21.9
69.07077	14.2
70.06601	88.3
71.04996	2.7
71.06944	10.0
71.54365	4.0
72.08165	16.9
73.00267	2.2
73.00774	2.6
73.01152	16.0
73.02930	3.5
74.02415	2.7
74.06084	5.7
81.03417	9.1
81.07091	2.4
84.04496	6.5
84.08152	52.3
85.02914	100.0
85.08484	4.9
86.09716	26.0
87.08102	6.9
91.03962	6.5
91.05483	12.7
95.01327	2.7
96.97798	2.3
97.02903	26.6
99.04456	4.2
109.02901	9.0
110.07168	7.9
116.07077	2.9
119.04948	4.0
120.08120	13.6
123.04420	2.9
127.03940	23.2
129.10274	26.3
130.08690	2.8
130.10590	2.9
133.08710	3.0
136.07582	13.5
137.00906	4.2
137.06017	2.2
137.07919	4.0
138.06351	2.5
145.04967	40.4
147.11327	3.6
163.06033	11.1
165.05528	2.0
166.05365	2.1
169.39679	2.5
173.09100	2.0
185.02606	2.7
187.14441	3.0
223.00568	5.1
239.15355	2.2
248.09189	6.1
266.05453	2.4
311.17871	3.3
312.05624	2.5
312.26361	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	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03931	1.4
55.01875	1.2
55.05517	56.0
56.46783	0.9
57.03190	1.3
57.03445	19.2
57.07082	22.2
67.05519	7.5
69.03452	0.8
69.07076	60.4
69.59464	5.5
71.04973	1.0
71.08284	1.3
71.08640	15.8
74.83545	0.7
74.98672	0.7
75.04494	1.0
76.40698	0.7
79.05506	4.0
81.07061	10.6
83.04980	2.3
83.08627	53.7
83.44008	0.7
85.10183	5.9
87.43073	0.9
93.07049	6.6
95.08618	6.4
97.06547	5.6
97.10181	36.8
98.20822	1.0
99.97113	0.9
107.08624	4.9
107.38376	0.8
109.10146	2.7
111.08096	2.0
111.11732	10.8
121.10143	6.9
123.11747	1.6
125.09634	1.9
125.13261	2.6
135.04385	1.6
135.11685	5.1
139.11150	1.5
140.73186	0.9
141.87169	0.8
149.13283	2.0
151.14784	1.5
153.12779	0.9
163.14861	1.4
209.11691	2.0
212.81267	0.9
219.21040	2.1
237.11217	1.9
311.25830	100.0
312.26074	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.1
53.03940	8.8
55.01856	5.8
55.05518	26.7
57.03438	9.7
57.06874	2.7
57.07081	31.6
61.26974	3.3
67.05509	42.3
69.07074	62.2
71.08644	6.0
79.05504	26.9
81.03391	9.5
81.07069	45.1
83.04964	7.7
83.08640	22.4
85.10181	3.8
91.04967	4.2
91.05488	42.7
93.07052	99.3
95.04977	62.6
95.08056	6.4
95.08619	95.3
97.06545	24.8
97.10162	11.8
100.11260	13.4
101.11602	5.8
105.07040	76.3
107.04989	3.4
107.08611	46.0
109.06518	17.3
109.10180	38.1
111.04439	10.4
111.11689	3.7
115.05448	6.1
117.07020	19.9
119.07801	5.0
119.08601	66.7
121.06500	22.7
121.10155	53.3
123.08064	14.3
123.11677	12.2
125.05986	4.0
128.06235	4.0
131.08598	23.8
133.10164	35.5
135.04433	83.2
135.08034	11.7
135.11696	17.8
137.09628	5.7
137.13316	3.9
142.07777	8.5
143.08553	14.7
145.10141	42.6
146.07246	6.5
147.11702	24.6
149.09592	5.1
149.13275	8.8
153.05481	8.1
155.08562	5.1
156.09395	6.9
157.10144	27.0
159.08093	7.8
159.11707	49.5
161.09634	100.0
161.13222	17.2
163.11188	4.5
169.10097	10.2
170.10947	3.9
171.11676	14.6
173.13266	13.2
175.14845	12.0
177.05453	6.4
177.16435	18.4
181.10217	5.0
181.12239	4.6
183.11707	6.9
185.13297	9.7
187.11139	3.9
187.14867	7.1
189.16476	17.9
191.10760	6.7
195.11787	4.4
197.13287	10.0
199.14832	10.5
201.16328	9.1
207.75676	3.8
208.12474	3.7
209.11685	40.1
209.13326	5.9
211.14836	7.8
213.16388	9.6
215.17963	7.9
223.14819	8.0
227.18111	3.8
237.11255	30.7
237.16373	6.8
239.17697	3.1
251.17920	3.7
255.12268	12.4
255.21024	4.8
293.22708	7.1
311.16360	46.2
311.19861	6.5
311.23151	29.2
311.29407	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03943	8.0
55.01870	32.2
55.05304	4.1
55.05516	48.6
57.03431	9.2
58.99570	3.5
59.04997	3.9
65.03933	3.8
67.05508	53.2
69.03433	7.2
69.07068	32.4
69.44973	28.9
71.04980	11.2
73.01147	5.3
79.05499	57.0
81.03431	6.6
81.07060	72.4
83.04987	40.7
83.08620	29.4
85.01140	5.0
85.06555	5.6
86.09714	3.7
87.04463	3.7
91.05487	35.4
93.07047	42.6
95.04958	21.1
95.08611	30.9
97.06532	48.1
97.10184	38.6
99.02689	5.1
99.08091	7.7
105.07052	31.7
107.04957	5.3
107.08607	100.0
109.06528	14.3
109.10161	17.8
111.04433	10.1
111.08086	9.0
113.04221	7.1
113.06011	17.3
117.07026	14.1
119.08602	18.5
121.10159	19.1
123.08076	4.3
123.11735	8.2
125.05994	6.9
125.09627	68.1
127.61341	3.9
129.10143	3.8
131.08554	13.9
133.10153	13.7
135.08122	5.8
135.11685	9.2
137.09634	6.0
139.11174	8.5
141.06920	3.7
143.08617	4.8
145.10149	12.9
147.11678	11.2
149.09612	10.6
149.26907	4.3
151.11168	3.9
153.12761	16.7
157.10158	4.4
159.11717	9.9
161.09566	4.6
163.11212	14.2
167.10643	6.2
177.12784	12.3
181.12276	8.8
188.81952	4.0
189.11255	21.9
191.10585	4.0
197.13298	6.5
205.12257	9.3
213.14941	7.1
223.13280	15.7
251.16521	4.8
257.18988	7.1
275.20084	77.0
293.21091	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	311.124
Annotation	H-Glu-Tyr-OH
Peak:m/z	Relative Intensity
55.01876	1.6
55.05507	2.4
55.93518	1.0
56.05038	6.9
56.52178	1.0
56.96571	28.6
57.03432	2.1
60.02686	1.0
60.04524	1.6
61.02929	3.9
67.05518	1.3
69.03434	7.5
70.06596	12.9
70.26812	1.0
70.79202	1.9
71.05009	1.1
71.06918	1.3
71.95266	1.5
72.08167	4.6
73.02939	1.7
74.06081	2.6
74.97618	1.4
81.03440	3.1
83.04989	1.1
83.06126	1.9
84.04512	72.5
84.08152	17.2
84.96028	2.0
85.02911	27.2
85.04810	1.4
85.08467	3.3
86.03252	1.3
86.09718	6.3
87.04456	1.0
88.03988	1.4
88.93729	1.1
91.03942	1.3
91.05483	9.9
93.07018	1.2
95.04962	3.1
97.02901	6.4
98.97591	17.9
99.04438	2.0
99.05537	1.0
100.99139	4.2
102.05550	11.5
102.97060	1.2
103.02367	1.1
107.04966	4.8
109.02907	2.5
110.07179	3.4
110.97607	4.6
112.07605	1.8
112.08785	1.0
116.07107	1.1
116.98632	10.2
119.00195	3.0
119.01936	1.7
119.04945	15.2
119.50994	0.8
123.04443	11.1
125.07150	1.3
126.97075	1.1
127.03936	5.0
128.98637	5.0
129.10258	6.0
130.08606	1.5
131.00200	1.4
134.99678	3.8
136.07590	100.0
137.05986	2.9
137.07980	4.9
143.00195	1.2
144.98141	2.0
145.03444	1.1
145.04945	1.6
146.99658	6.1
147.03334	1.8
147.04398	7.6
147.11316	1.3
148.11617	0.9
149.01231	1.9
150.05557	1.2
153.06612	2.2
155.04660	3.2
156.04836	0.9
158.99632	5.1
161.01247	1.9
161.02925	2.1
161.04791	1.0
161.07091	1.6
162.97411	1.1
162.99167	4.0
164.55406	0.9
165.00722	5.3
165.05492	31.3
165.06880	1.6
166.05963	1.1
166.09804	1.2
167.00545	1.8
167.02283	1.9
172.95242	1.3
173.06718	1.6
174.04384	1.1
177.00761	5.7
180.98456	1.8
181.00061	1.3
182.08148	48.7
182.88687	1.1
183.01845	1.3
183.04721	1.0
183.08464	1.9
185.01534	0.8
185.06599	1.2
189.00635	1.1
190.98654	6.4
191.00374	1.6
194.97458	1.0
196.97916	1.9
198.97534	1.0
202.08591	5.5
207.05278	1.4
208.11755	1.6
208.99710	11.9
209.01582	1.2
209.03299	3.5
209.11584	1.1
212.95650	4.9
214.12630	1.0
216.98621	1.3
219.01828	3.9
221.04953	1.2
222.99367	1.1
224.99409	1.3
227.06801	2.0
230.06319	1.1
230.96660	4.3
237.02835	5.4
241.00597	1.8
247.10809	51.4
248.11244	1.3
251.04260	1.4
253.00577	1.3
255.01953	0.9
262.62042	0.9
264.03766	0.9
265.11194	0.9
275.10226	3.9
287.95724	1.6
291.07501	5.3
293.11276	34.1
301.30008	0.9
309.08585	16.5
310.08975	1.6
311.07129	1.6
311.17767	2.5
328.96521	1.9
332.09967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.05494	2.4
56.05034	0.7
57.03412	1.1
57.05824	0.8
58.06584	2.6
58.99580	2.7
61.01146	2.2
67.05499	2.2
68.03793	0.7
69.03433	2.1
69.07076	4.7
70.06598	51.9
71.06120	7.0
71.54760	0.7
72.04518	4.9
72.08153	1.1
73.01124	1.6
77.00639	7.2
79.05483	1.6
79.64851	0.6
81.07041	4.1
83.08622	0.7
84.04507	1.1
84.08136	3.2
85.02882	0.8
85.06519	1.0
86.06071	1.7
86.09709	2.2
91.05480	1.7
92.98341	10.2
93.07078	3.2
95.04946	1.6
95.08622	3.2
97.06564	1.2
99.04447	0.8
100.07600	2.3
104.98326	22.4
105.07018	1.8
107.08591	2.2
109.02879	0.8
109.06532	1.0
109.10159	2.1
110.00966	1.7
111.09213	1.6
112.07613	20.5
113.04162	0.8
114.03765	4.9
115.08695	0.9
118.03246	15.9
120.08108	1.3
121.10153	1.4
123.11707	0.7
129.10204	1.6
132.67281	0.7
133.01414	10.4
133.10124	1.3
134.00940	2.6
136.07558	0.7
137.05984	4.4
143.05261	1.1
144.04784	6.6
147.05881	34.3
147.11769	0.7
150.04010	3.2
152.02008	1.7
161.06003	0.8
164.01976	2.5
165.06973	0.7
187.07594	1.0
190.07794	0.8
191.08522	1.4
203.06789	1.5
204.05174	0.8
213.42940	0.7
219.08040	2.3
221.07794	100.0
222.07893	1.2
223.12445	1.2
235.08536	0.8
236.09364	1.1
237.10213	1.0
238.11061	0.9
239.11694	1.1
241.31857	0.9
247.07625	1.0
249.10172	1.1
250.11145	1.8
251.12009	7.1
255.14073	1.2
265.13376	4.8
266.14014	1.1
267.14987	1.1
279.10132	3.9
293.12805	1.4
311.05560	1.5
311.09421	3.5
311.13596	17.5
311.23779	0.8
329.11224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.4
55.05519	5.7
58.99578	4.0
61.01157	6.1
67.05506	9.4
69.07075	39.4
70.53902	9.7
71.04967	2.7
72.49756	2.8
73.01138	12.5
75.02665	3.4
79.05479	17.1
79.65933	3.0
80.55518	2.7
81.07049	19.3
83.04996	6.5
83.08630	3.8
83.38525	2.8
84.08157	4.5
91.05441	7.2
93.07048	9.0
95.04966	4.6
95.08630	6.5
97.01126	3.1
97.06543	13.6
98.21413	3.8
99.02665	3.5
99.47401	2.8
101.00613	3.2
101.04266	5.8
102.05989	2.8
102.96766	3.4
104.98344	9.7
105.07020	3.3
106.97915	3.4
107.08601	5.8
109.10146	4.3
111.02662	9.1
112.03469	15.9
113.04240	100.0
115.05848	2.9
117.07026	3.1
119.08611	8.8
121.06523	4.5
121.10193	5.4
125.09642	5.6
129.03717	4.6
133.10118	5.1
135.04414	2.9
135.11760	3.4
142.88953	3.4
143.96912	3.4
145.01416	25.0
145.10071	3.6
147.08102	3.2
148.95526	3.5
177.12698	3.2
179.05563	3.0
181.97456	2.6
197.02979	3.0
226.49858	3.1
228.65364	2.7
237.11197	3.6
266.89606	3.0
275.20099	5.4
293.21124	9.5
311.20007	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	311.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
56.05037	2.6
57.03442	4.3
57.33029	1.1
58.94302	1.4
60.04525	1.8
60.84572	1.4
62.98850	1.0
62.99085	11.8
63.99868	11.7
67.05508	2.0
69.03437	26.4
69.07076	1.5
70.06602	15.9
71.06902	1.4
71.55581	1.5
72.08154	4.9
74.06083	3.7
74.60696	1.1
78.96793	20.2
79.05499	6.1
83.01353	20.0
84.04495	4.4
84.08150	13.2
85.02431	2.2
85.02916	28.6
86.09688	7.0
91.05451	1.2
95.01346	38.6
95.04974	9.3
96.97828	100.0
97.06565	6.6
99.04420	1.6
101.02381	3.2
103.03945	2.3
105.54117	1.2
107.04980	2.8
109.02876	3.9
110.06026	1.3
110.07156	4.2
113.02368	2.3
113.06015	2.9
116.07106	2.4
118.91291	1.3
120.08124	2.7
123.04457	9.6
125.02321	2.2
125.06002	36.7
127.03928	2.6
129.10284	6.9
129.11142	1.5
136.07584	3.2
141.05554	2.1
143.06999	2.1
148.04837	1.3
151.03934	16.5
152.07109	1.6
153.04317	2.5
153.05493	36.5
167.03448	2.4
169.05005	8.6
179.03406	1.8
187.06010	1.7
195.02939	2.1
196.50935	1.3
197.04439	7.4
213.03976	20.1
215.05513	27.9
311.09399	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	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	4.2
55.01868	17.3
55.05519	32.9
55.44516	2.6
57.03434	4.4
57.07069	5.8
59.32790	2.7
67.05171	3.7
67.05511	52.3
69.06719	5.4
69.07078	84.1
71.05009	8.1
71.54980	4.2
79.05499	46.1
81.03442	3.6
81.06581	4.8
81.07066	100.0
83.05003	8.4
83.08622	11.2
85.06553	11.2
91.05486	34.3
93.07049	48.8
95.04996	10.0
95.08041	5.3
95.08615	64.9
97.06511	15.2
97.10192	5.3
99.08095	7.9
101.33626	2.7
104.98344	4.3
105.07034	35.9
105.07671	3.2
107.08607	40.5
109.06559	14.2
109.10172	17.1
111.02652	5.5
111.04436	4.9
111.08115	8.4
113.04227	20.9
113.09638	4.6
117.07030	6.9
119.08595	28.8
121.10161	40.0
121.75117	2.9
122.26917	2.7
123.08093	7.4
123.11736	8.4
125.09654	29.8
129.03682	5.2
129.06966	3.6
129.66528	3.0
130.04449	2.7
131.08566	7.9
133.10156	18.9
135.08040	3.5
135.11707	33.0
137.05983	38.7
137.13248	6.1
139.11214	3.3
143.08554	5.0
145.10143	5.6
147.04474	3.1
147.11679	27.6
149.13286	10.9
150.84450	2.6
151.07584	2.7
151.11142	4.1
157.10146	7.9
159.11690	5.3
161.13286	13.9
163.11263	4.5
163.14864	3.9
165.09109	3.9
165.12799	5.7
171.11746	10.4
173.13232	3.0
179.14355	5.1
185.13300	5.2
189.12781	6.3
193.12341	3.2
213.12834	3.4
213.16522	3.9
231.13777	13.5
231.17491	4.7
241.19525	5.4
249.18544	3.7
258.28763	3.4
259.20605	11.2
277.18094	17.2
277.21677	55.6
291.23315	6.6
308.44943	2.9
309.24329	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	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03931	5.6
53.35076	4.2
55.05503	26.0
55.38359	4.2
57.03420	12.9
57.07078	11.5
59.04991	6.2
67.05508	56.4
69.07079	29.6
71.08637	48.0
74.41547	4.2
75.53532	4.2
79.05497	61.0
81.03397	10.4
81.07069	81.5
83.04989	10.6
83.08608	14.2
91.05488	31.3
92.36874	4.2
93.07063	77.4
95.04972	11.3
95.08610	58.6
96.56415	4.7
97.06524	11.3
97.10165	6.2
99.08109	42.9
105.07021	20.4
106.84642	4.7
107.04942	6.9
107.08595	36.7
109.10142	16.8
117.07027	7.2
119.08582	18.0
121.10177	28.8
123.11710	4.7
129.06978	6.4
131.08562	7.2
133.10114	11.1
135.11720	40.0
137.09619	7.1
139.11122	4.9
141.09116	4.3
143.08542	6.0
145.10106	8.7
147.11646	7.8
149.13271	11.2
151.11209	15.7
161.13240	13.1
163.11154	6.9
165.12766	7.7
171.11702	4.5
179.14320	100.0
185.13252	6.6
203.48366	4.4
231.13815	8.3
235.16780	6.5
241.19554	6.5
259.20654	6.8
277.21640	47.3
291.23575	5.3
309.18686	7.4
309.24518	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	309.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.05502	15.8
57.03432	9.0
57.07078	5.4
62.16686	3.2
65.03954	3.9
66.04823	3.6
67.05506	30.0
69.03437	4.1
69.07081	25.6
71.56197	4.4
79.05499	37.9
81.03389	3.2
81.07060	40.0
82.97661	3.5
83.08617	7.3
91.05482	40.9
93.07056	67.7
95.04974	50.6
95.08617	38.1
97.06573	18.5
97.07069	3.9
105.07036	88.7
107.04958	6.0
107.08594	39.1
109.06487	6.8
109.10174	20.4
113.04208	13.8
116.06226	5.5
117.07016	18.8
119.08590	64.4
121.06487	11.0
121.09312	6.8
121.10148	100.0
123.08079	8.8
123.11696	6.5
128.06207	7.8
129.07019	17.5
130.07811	5.1
131.08565	35.1
133.06474	4.1
133.10147	41.9
135.08047	4.1
135.11690	11.0
141.06978	5.2
142.07828	17.6
143.08556	28.1
144.09366	7.4
145.10112	49.6
145.94562	3.8
147.11679	12.8
154.07733	5.9
155.08536	11.0
156.09320	15.7
157.10138	35.4
159.11729	36.6
161.05939	4.8
161.09647	8.1
161.13292	8.0
165.06958	5.1
167.08601	4.3
169.10191	20.4
170.10855	4.2
171.11740	17.0
173.13232	15.8
175.14812	7.5
179.08658	4.4
181.10101	5.8
182.10907	6.7
183.11679	14.9
185.13257	17.6
187.11200	12.7
187.14810	19.6
193.10197	5.8
194.10938	4.1
195.11760	9.8
196.12488	5.1
197.13257	12.6
199.14807	11.4
206.10963	3.9
207.11688	4.7
209.13293	10.7
211.14764	10.3
213.12819	6.4
221.13132	6.4
223.14778	6.1
225.16364	6.8
231.13829	14.6
234.14108	3.5
235.14937	8.5
239.17986	4.3
241.15544	4.3
249.16493	4.1
265.19611	4.0
273.12930	4.2
281.22693	5.7
291.21014	10.6
309.22110	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03933	6.4
55.05519	17.9
57.03434	4.5
57.07064	3.1
65.03922	2.7
67.05512	32.5
69.07073	19.9
70.61706	5.0
70.62066	5.2
72.93780	2.6
79.05504	28.6
81.07061	39.3
83.04952	3.4
83.08614	8.6
91.05487	40.6
93.07054	57.6
95.04978	42.7
95.08614	40.9
97.06532	18.7
101.75661	2.1
104.88535	3.0
105.07042	71.3
105.07760	3.6
107.04945	3.3
107.08598	37.3
109.06494	10.4
109.10174	21.4
111.45857	2.1
115.05464	4.7
117.07038	14.8
119.07791	3.9
119.08595	56.8
121.06521	12.9
121.10152	76.8
123.08047	8.2
123.11708	7.1
128.06219	7.4
129.06987	9.1
130.07826	4.5
131.08578	36.1
132.95839	2.4
133.07536	2.6
133.10136	40.4
135.08032	4.5
135.11687	10.4
141.07004	6.8
142.07805	16.3
143.08566	28.0
144.09337	9.5
145.06471	3.6
145.09073	3.2
145.10136	44.1
147.08073	4.3
147.11694	9.4
149.09654	3.1
154.07663	2.8
155.08543	11.2
156.09343	10.7
157.10138	35.4
158.10873	4.3
159.08006	4.8
159.11710	30.2
161.09613	8.9
161.13269	6.2
164.98425	9.9
164.99774	2.4
165.07100	2.6
167.08629	5.2
168.09314	3.3
169.10127	21.6
170.10893	6.8
171.11691	19.5
173.09633	4.4
173.13301	20.2
175.14792	7.3
175.72234	2.3
179.08490	5.8
181.10095	7.4
182.10962	3.4
183.11693	21.3
185.13327	13.9
187.11150	8.8
187.14824	17.8
189.12698	4.8
192.09407	2.5
193.10081	5.8
194.10867	6.5
195.11664	10.0
197.13252	15.0
199.11116	3.5
199.14835	7.3
201.12593	2.7
201.16461	4.5
206.99538	3.6
207.11682	8.6
209.13316	13.9
211.11183	2.5
211.14876	11.1
213.12732	3.7
213.16281	5.7
215.14214	4.3
220.12659	2.8
221.13214	8.7
223.14778	7.2
225.16383	7.9
231.13785	5.4
233.13246	3.6
235.14735	9.1
237.16364	4.7
239.14261	3.5
239.17834	3.7
249.16428	3.7
251.17865	3.0
253.15791	8.5
265.19434	4.9
267.17361	2.6
269.56628	2.4
272.34515	2.3
281.22662	8.2
291.21115	16.0
309.18530	4.8
309.22073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03946	6.9
54.36524	4.1
55.01876	22.2
55.05525	30.1
57.03422	8.1
57.07067	9.9
59.05008	5.1
66.76498	4.9
67.05509	99.7
69.07079	43.0
70.18701	20.8
71.86420	4.4
75.02435	4.3
77.30051	5.1
79.05511	42.8
81.03395	5.9
81.07068	100.0
83.04988	16.2
83.08638	14.0
85.02866	4.4
85.06568	4.4
91.05482	62.1
93.07061	51.0
95.05001	16.0
95.08625	45.7
97.06552	8.1
97.10169	4.7
99.04460	7.1
104.98327	8.8
105.07035	55.0
107.04964	13.7
107.08603	51.0
109.06544	17.7
109.10168	88.4
111.02663	8.6
111.04485	4.6
111.08097	9.3
112.03505	11.2
113.04240	40.3
113.06021	5.4
116.52203	4.4
117.07044	10.2
119.08611	23.9
121.06538	8.6
121.10139	14.2
123.08081	12.8
123.11710	14.3
129.03697	13.1
129.07028	9.0
131.08566	17.4
133.06520	10.7
133.10146	91.7
135.08055	6.9
135.11708	8.9
137.05972	8.7
139.07520	6.2
143.08611	8.4
145.10138	15.4
147.08115	9.8
147.11699	8.0
149.09624	7.8
151.11200	59.8
157.10158	12.0
161.09622	13.4
169.10109	5.1
169.12285	10.7
171.11679	10.6
175.11211	6.1
185.13274	9.7
203.14323	6.0
204.04065	5.5
213.12740	12.7
214.50659	4.8
217.12212	4.7
231.13860	20.5
245.19029	15.2
263.20108	20.2
273.18503	34.3
291.19504	59.9
309.20685	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	4.6
55.01873	15.6
55.05266	3.7
55.05513	61.1
56.26219	1.9
56.75107	1.7
57.03434	5.6
57.07079	2.7
58.99609	2.1
59.05001	4.0
65.03942	2.1
67.05506	52.7
69.03439	15.1
69.07074	25.5
70.18500	8.3
71.04992	4.3
73.01138	4.7
76.02210	4.2
79.05054	3.8
79.05496	48.4
81.03426	17.1
81.07059	83.6
83.04993	18.7
83.08622	36.3
84.08124	2.4
85.02905	4.8
85.06523	3.0
86.09721	2.1
91.05487	23.3
93.07051	49.3
95.04974	34.2
95.08613	51.7
97.06541	9.3
97.10178	48.8
98.97598	2.2
99.04453	3.1
99.08083	3.7
105.07028	28.1
107.04964	7.7
107.08601	27.4
109.06501	6.2
109.10175	15.8
111.02660	2.1
111.04430	9.7
111.08076	8.6
112.03447	3.2
113.04236	7.4
117.07050	9.5
119.04935	2.7
119.08595	24.0
121.06506	5.8
121.10152	11.9
123.04416	3.5
123.08074	100.0
123.11723	9.0
124.47912	2.8
125.09634	46.3
129.03668	2.5
129.06995	6.5
131.08582	13.7
133.06487	4.0
133.10143	15.8
135.08055	7.6
135.11684	7.8
137.09641	9.8
139.11198	3.3
143.08582	8.1
143.10696	3.0
145.10129	11.1
147.04390	4.0
147.08089	12.6
147.11685	7.9
149.09608	3.3
151.11168	3.0
153.09128	2.8
153.12729	3.5
155.08549	2.6
157.10104	9.3
159.08138	2.1
159.11696	5.3
161.09589	6.8
163.11182	18.8
165.09081	12.8
169.12280	8.2
171.10268	4.2
171.11676	5.0
173.09608	3.2
175.11201	8.1
176.79482	2.0
177.28664	2.0
181.12245	4.9
185.13321	5.4
187.13312	10.8
189.11208	37.0
191.10622	3.8
193.12236	11.4
211.11369	2.1
211.13312	8.5
213.12740	6.1
217.15839	1.8
223.13264	6.1
227.12883	4.8
227.17940	4.3
231.13773	14.8
245.19051	4.0
249.18509	3.1
255.17410	5.2
263.20117	5.3
272.64465	2.3
273.18497	40.6
281.49887	2.2
291.19543	69.9
309.17337	3.3
309.20575	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	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14527	0.5
53.03945	1.2
55.01867	1.2
55.05507	4.4
56.05033	1.0
57.03439	11.2
59.05000	1.4
59.94063	0.5
61.02920	1.9
65.19384	0.5
67.05504	1.5
69.03433	6.2
69.07069	1.3
70.06594	4.1
71.01357	1.2
71.04996	24.5
71.55090	0.6
72.08158	2.9
73.01135	3.1
73.02923	5.8
74.06089	0.8
75.00716	1.0
75.04486	12.8
75.82922	0.5
76.02222	1.6
79.05493	1.4
80.23808	0.5
81.03411	1.8
83.04987	6.8
83.06101	0.6
84.04512	2.0
84.08138	5.2
85.02908	100.0
86.06057	0.8
86.09705	5.3
87.04471	2.6
87.10056	0.8
91.05485	3.2
93.07021	0.9
95.05016	1.1
95.08597	1.5
97.02897	8.3
97.06541	0.7
98.97588	1.0
99.04454	2.2
101.06005	1.4
102.05522	0.6
103.03953	1.2
105.07031	1.3
106.75169	0.6
107.08650	0.7
108.90491	0.6
109.02882	1.9
110.07132	1.3
111.04439	3.0
113.02363	0.8
119.04949	4.3
119.08594	1.5
120.08130	3.4
123.04435	0.6
124.07602	0.7
127.03913	3.7
129.05484	22.4
129.10223	2.6
130.05031	0.6
133.10135	0.6
145.04980	2.0
145.10179	1.0
147.04428	19.6
147.06494	12.4
147.11754	1.6
157.10176	1.4
159.11674	0.6
165.05501	1.3
165.07588	0.7
171.06573	1.1
185.13326	1.1
191.08221	1.1
201.12651	0.7
204.10315	1.2
219.01791	0.6
228.10268	3.5
231.13947	1.0
234.06584	0.7
255.08832	0.8
256.09698	0.9
274.10782	1.3
277.08633	0.6
291.08755	0.7
291.13455	3.5
309.11331	1.0
309.17590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	16.4
55.05500	21.2
56.05026	24.8
56.96565	52.3
57.03429	11.0
61.01156	8.9
61.02925	9.8
67.05505	8.8
69.03436	52.9
69.07063	7.6
70.02955	9.4
70.03735	5.5
70.06599	73.2
71.04983	12.6
71.54454	9.4
72.08161	75.3
72.17139	4.9
73.02916	11.6
73.06561	8.8
74.06076	15.7
78.96782	7.8
81.03422	17.0
84.04503	40.6
84.08147	99.3
84.96033	11.7
85.02910	100.0
86.09711	39.5
87.04458	9.3
88.03972	7.5
91.05483	8.2
95.06110	8.4
97.02351	6.9
97.02902	37.4
98.06030	6.8
98.97588	86.3
98.98534	6.3
99.04417	11.0
101.07117	7.5
104.05338	23.4
105.06989	5.3
107.04921	7.3
109.02901	9.6
110.06004	6.9
110.07160	11.1
110.97568	21.1
112.08755	6.3
116.07130	7.1
116.98644	54.9
119.01983	11.9
120.08131	8.5
121.78458	5.2
122.07136	10.1
127.03949	46.1
128.98586	27.6
129.10229	42.4
130.08606	13.0
131.00319	5.9
131.01950	11.6
131.05553	7.2
134.99620	21.5
136.06139	15.7
136.07584	23.4
137.05981	13.2
138.05318	5.4
143.00191	6.5
143.01897	15.4
144.98061	7.0
145.03459	7.9
145.04977	7.5
146.99677	14.4
147.03180	8.1
147.04391	15.8
147.05702	11.7
149.01234	6.5
158.99661	29.3
161.02965	22.0
162.99155	8.0
163.02682	7.4
165.00638	10.8
170.06400	10.4
170.99692	10.5
173.01285	9.3
173.02979	11.3
173.06627	21.1
173.12912	9.4
174.04471	11.9
177.00757	34.9
177.06619	7.6
177.08882	15.2
183.01741	5.7
185.06645	13.9
185.13278	6.9
186.04388	9.2
188.07393	14.8
189.00693	21.7
190.98666	6.4
191.02206	10.9
191.03914	7.4
203.02243	6.7
203.07579	9.7
203.10677	6.3
204.05412	8.2
206.99878	6.8
207.01787	17.5
213.12857	8.4
219.01799	19.0
219.08018	39.4
221.04932	7.5
231.13731	27.7
237.02794	13.9
237.06274	8.1
275.09717	21.7
293.10895	49.5
294.11224	9.7
307.03278	8.9
309.02438	11.7
309.08316	11.5
309.13696	6.7
309.22620	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	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01862	0.3
55.05511	1.4
56.87121	0.2
57.03436	1.7
57.07069	0.2
58.99572	0.8
65.03940	0.7
66.44048	0.2
67.05520	0.6
69.03434	8.7
69.07073	1.2
69.68418	0.6
69.68833	1.2
70.06601	1.4
71.01346	0.7
71.04987	1.0
71.08641	1.6
72.08134	0.7
73.02924	0.3
75.36881	0.3
76.02230	4.1
76.03972	0.3
77.02171	0.3
77.02568	0.5
77.69537	0.3
79.05476	0.5
81.03426	3.2
81.07071	1.5
83.04979	1.3
83.08611	0.5
84.04501	2.0
84.08132	0.8
85.02909	4.9
85.04835	0.7
85.06528	0.3
86.09717	1.5
91.05486	9.8
91.58142	0.3
93.07050	0.7
95.04951	0.8
95.08622	1.1
97.02899	19.0
97.06516	0.4
99.02688	0.3
99.04455	1.5
99.08108	2.2
100.11269	2.0
101.02376	0.9
101.04228	0.3
105.07006	0.5
107.04990	0.2
107.08614	0.5
109.02890	1.4
109.06508	0.4
109.10145	0.9
111.04430	0.4
111.08062	0.3
113.04208	0.4
116.01664	0.8
117.02045	0.4
119.04954	25.9
119.08574	0.3
120.05268	0.3
120.08133	0.6
121.10161	0.3
123.04469	0.4
123.11720	0.4
127.03947	1.8
127.11221	0.2
129.10228	0.6
130.05034	0.4
131.08522	0.3
135.11758	0.4
147.04419	100.0
148.04781	0.8
149.13301	0.3
153.12746	1.5
162.02203	1.1
163.02513	0.8
165.05508	5.2
179.04916	0.8
180.05217	1.2
182.15395	0.4
185.13298	0.3
213.17879	0.3
227.17540	0.3
231.13834	0.6
234.06361	0.5
249.19104	0.3
276.52164	0.3
276.55243	0.3
277.08627	0.4
291.08618	2.7
309.09576	6.5
334.18570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05504	0.4
57.03431	1.2
60.95076	0.3
65.03932	1.0
67.48862	0.3
69.03435	7.0
69.54843	2.2
70.06581	1.3
71.01335	0.8
71.04990	1.3
72.08142	1.3
72.10612	0.3
73.02912	0.3
76.00220	0.4
76.02205	0.5
79.05500	0.3
80.70549	0.3
81.03414	3.4
84.04504	1.1
84.08154	2.3
85.02901	5.8
85.18882	0.3
86.09718	2.2
91.05486	8.9
95.04994	0.6
97.02899	14.6
99.04459	1.0
101.02406	0.7
109.02870	1.2
110.07204	0.3
119.04951	25.3
120.08091	0.8
127.03949	1.8
129.05472	0.4
129.10217	1.1
132.08044	0.4
147.04416	100.0
147.11717	0.5
148.04736	0.5
150.07755	11.7
157.10225	0.4
165.05484	4.4
170.06123	0.4
192.34782	0.4
198.21068	0.3
223.45265	0.3
249.07590	0.5
277.08682	0.4
291.08633	2.7
298.32758	0.3
309.09595	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	309.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74348	4.0
53.22316	3.6
55.05515	7.1
58.99586	9.3
61.01141	14.9
61.78040	4.5
67.05495	6.2
67.84476	3.9
69.07069	19.3
69.96687	13.8
73.01135	16.5
76.34783	4.4
76.91940	4.7
78.73030	3.9
79.05484	12.7
81.07039	12.7
83.08625	4.2
95.08587	6.7
97.06639	4.5
98.21374	6.2
104.98325	22.5
105.07059	7.2
111.02632	4.8
112.03428	9.3
113.03511	8.6
113.04240	100.0
120.27842	4.6
129.03702	6.4
145.01410	18.4
151.75452	4.6
154.74287	4.7
197.01219	11.9
231.13821	13.1
291.19431	8.2
313.55972	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	309.0469
Annotation	dUMP
Peak:m/z	Relative Intensity
53.12423	2.3
55.05512	5.1
58.99580	9.7
61.01146	12.9
67.05491	8.8
69.07076	21.4
70.44676	8.0
73.01157	12.7
79.05495	16.1
79.17465	2.4
80.20802	2.3
81.07054	13.3
83.08639	2.5
84.04496	3.0
87.48026	2.3
91.05459	5.0
93.07028	7.7
95.04955	2.3
95.08595	6.9
97.06522	5.6
99.02663	5.8
101.00600	11.6
101.04227	5.9
104.98322	16.7
105.07013	5.3
105.92133	2.8
107.08589	6.0
109.10140	3.8
111.02667	6.0
112.03468	14.2
113.04232	100.0
114.05000	2.7
115.03860	2.6
117.37624	2.5
119.08559	5.0
120.08232	2.6
121.06511	2.5
121.10165	4.3
129.03735	3.9
129.65405	2.5
130.99863	2.6
131.08510	2.9
135.08052	3.1
142.99820	3.2
145.01379	14.5
147.04430	3.3
157.10149	4.4
166.08163	6.4
185.13383	3.8
197.01263	7.6
203.05519	2.7
231.13770	8.8
273.18469	4.8
291.19458	3.6
294.45618	2.9
306.49048	2.5
309.21579	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70915	2.2
59.31604	2.7
68.07790	2.4
68.88620	2.4
70.29767	8.3
84.72532	2.1
97.49924	2.5
98.21536	2.6
98.97608	4.1
116.98667	2.9
136.39053	3.1
309.04059	100.0
309.07248	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	309.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81126	1.6
55.05518	6.4
58.99586	8.9
61.01154	21.0
67.05511	6.7
67.50389	1.6
67.80404	1.4
69.07077	19.8
70.99567	2.0
71.55115	1.6
73.01151	16.7
74.92081	1.5
79.05495	12.7
81.07057	12.1
83.04988	2.9
83.08645	3.9
84.08152	3.1
85.01155	2.5
89.31268	1.9
91.02183	8.8
91.05486	3.5
92.17905	1.8
93.07041	5.3
95.08617	5.4
97.01085	2.4
97.06574	3.9
99.02692	5.6
100.07604	2.2
100.11277	3.4
101.04251	5.0
102.96767	3.4
104.98324	20.0
105.07041	3.6
105.99098	2.3
106.97944	2.7
107.08617	5.0
109.06537	1.9
109.10169	4.4
111.02698	9.8
111.04462	2.0
112.03452	17.4
113.04241	100.0
114.03046	3.2
115.03834	11.9
116.98306	1.9
119.08580	3.7
121.10167	4.1
122.99359	4.5
123.11678	2.9
124.98927	3.0
129.03737	4.6
129.07053	2.6
130.04512	2.6
131.05304	1.7
131.08562	1.9
133.10147	3.9
135.11731	2.5
142.99825	4.0
143.08659	2.6
145.01421	10.9
145.10182	2.3
147.00932	3.0
147.02974	1.9
147.08127	2.1
157.10176	2.2
163.02492	3.0
164.23611	1.7
182.15376	8.6
185.13271	3.1
186.97195	2.2
194.99741	5.1
196.99312	12.0
197.01277	18.5
202.96582	11.3
210.14934	12.3
213.12769	3.0
216.92743	5.5
218.94313	9.5
231.13872	8.5
235.16916	1.8
249.06757	2.2
291.19638	5.1
308.95636	11.2
309.02859	2.7
309.25381	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	308.2223
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.01841	0.3
57.07065	0.5
58.02959	0.5
67.05504	0.5
69.07065	1.1
70.39423	0.7
71.08649	0.4
76.02228	0.7
79.05494	0.9
81.07056	2.0
84.04485	0.5
85.10170	0.4
85.33121	0.2
88.07607	0.3
91.05478	0.7
93.07069	0.3
94.04182	2.5
95.08620	0.8
107.08652	0.3
109.06501	0.7
122.03662	7.5
124.62292	0.2
128.10710	0.2
137.05989	100.0
137.13235	0.7
138.06334	0.8
162.02139	0.3
167.60741	0.3
172.16957	1.2
179.04898	0.4
184.16983	2.6
198.22287	0.2
290.79575	0.3
291.23160	0.9
308.15674	0.3
308.22000	0.3
308.25885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73926	0.7
54.19220	0.7
55.05520	1.2
55.31680	0.6
55.92498	0.6
56.05034	2.3
57.03441	0.6
57.98798	1.4
58.99588	22.2
60.04521	0.8
61.01136	1.3
69.43874	0.6
70.02108	2.3
70.02479	1.3
70.06604	5.7
72.04507	0.6
72.08154	3.9
73.01146	5.6
74.01095	0.7
74.01486	1.8
74.06078	1.3
75.53597	0.6
76.02230	100.0
76.03996	4.6
79.00116	0.6
80.05024	0.9
81.04613	0.6
83.06110	1.5
84.04505	45.1
84.08141	6.5
85.02901	1.5
86.09714	7.8
86.99051	5.8
87.09227	0.8
88.02225	2.2
88.03947	1.1
91.02184	12.5
91.05480	0.9
92.02524	3.3
93.01749	1.2
102.05558	1.5
103.05476	3.2
104.98328	2.6
110.02422	1.2
110.07193	2.3
114.03799	1.5
115.08697	43.1
116.01681	22.8
116.07125	1.0
116.98324	1.0
119.04970	1.0
120.08107	78.2
121.08515	0.7
129.10245	4.1
130.05002	14.1
130.06529	0.7
131.04915	1.3
136.07596	1.2
138.09212	0.9
141.04819	0.8
142.03221	11.0
143.08160	29.1
144.01152	11.3
145.03310	0.9
146.06033	1.1
147.04419	4.0
149.06023	1.6
152.07079	1.9
156.07677	0.7
161.00958	1.7
162.02220	38.0
162.05867	1.0
163.00577	0.9
164.07124	0.9
166.08643	51.5
170.02687	3.9
179.04863	44.3
187.05417	2.3
191.11780	1.0
199.05467	1.1
211.14757	0.6
215.04955	2.3
233.05919	16.2
237.12375	9.3
245.05911	3.3
262.10724	0.6
290.07928	1.6
291.06546	2.7
308.08978	5.6
308.15829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.091
Annotation	Glutathione
Peak:m/z	Relative Intensity
55.05507	1.0
56.05029	2.1
57.98815	1.1
58.06595	0.8
58.99591	21.3
64.20435	0.6
67.05512	1.4
69.07076	1.4
70.06586	1.8
71.04996	0.7
71.54720	0.7
73.01133	0.8
76.02233	100.0
76.03996	3.8
77.44894	0.6
79.05507	0.8
80.05024	1.7
81.07063	2.5
84.04512	44.7
84.08147	2.6
86.99055	4.6
88.02219	2.2
89.04247	1.2
91.05506	1.0
95.08617	2.4
95.42871	0.5
98.00661	0.8
102.05537	0.8
106.97890	0.8
109.10204	0.9
110.10454	0.9
113.04272	0.8
114.03773	1.1
116.01688	23.1
120.08107	0.6
126.54417	0.6
130.05016	12.6
133.10175	1.7
141.04871	0.6
142.03238	10.6
144.01160	10.9
146.02779	0.6
147.04443	0.8
149.79225	0.6
162.02213	39.0
170.02701	3.0
179.04871	44.4
187.05431	2.1
196.21521	0.6
207.95529	0.6
215.04919	1.9
227.04810	0.7
233.05928	14.3
245.06004	2.7
246.23341	0.8
247.13564	0.6
285.63351	0.6
287.61197	0.5
290.08240	0.9
291.06488	2.7
291.15222	0.7
307.26660	0.9
308.09164	5.0
308.14972	0.6
308.18344	0.8
308.26794	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	308.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05029	2.1
57.98815	1.1
58.06595	0.8
58.99591	21.3
64.20435	0.6
67.05512	1.4
69.07076	1.4
70.06586	1.8
71.04996	0.7
71.54720	0.7
73.01133	0.8
76.02233	100.0
76.03996	3.8
77.44894	0.6
79.05507	0.8
80.05024	1.7
81.07063	2.5
84.04512	44.7
84.08147	2.6
86.99055	4.6
88.02219	2.2
89.04247	1.2
91.05506	1.0
95.08617	2.4
95.42871	0.5
98.00661	0.8
102.05537	0.8
106.97890	0.8
109.10204	0.9
110.10454	0.9
113.04272	0.8
114.03773	1.1
116.01688	23.1
120.08107	0.6
126.54417	0.6
130.05016	12.6
133.10175	1.7
141.04871	0.6
142.03238	10.6
144.01160	10.9
146.02779	0.6
147.04443	0.8
149.79225	0.6
162.02213	39.0
170.02701	3.0
179.04871	44.4
187.05431	2.1
196.21521	0.6
207.95529	0.6
215.04919	1.9
227.04810	0.7
233.05928	14.3
245.06004	2.7
246.23341	0.8
247.13564	0.6
285.63351	0.6
287.61197	0.5
290.08240	0.9
291.06488	2.7
291.15222	0.7
307.26660	0.9
308.09164	5.0
308.14972	0.6
308.18344	0.8
308.26794	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	308.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
56.05029	1.5
58.99589	20.5
62.89682	0.6
67.05524	0.9
69.07056	1.3
69.24605	5.1
69.25021	1.3
70.06593	2.1
75.93550	0.7
76.02231	100.0
76.03998	3.3
79.05486	1.0
80.05025	1.1
81.07059	1.7
81.50331	0.6
83.06101	0.6
84.04508	47.1
84.08165	1.5
86.09732	1.2
86.99054	6.0
88.02225	2.1
88.97002	0.6
89.04240	1.8
93.07030	0.9
95.04985	1.0
95.08596	1.5
98.21501	1.3
99.02661	0.7
106.06556	1.0
109.10175	1.0
113.04220	0.7
114.03778	1.6
116.01688	22.6
116.02502	1.3
118.06575	5.4
119.07321	1.8
120.08109	2.1
129.10265	0.7
130.04060	0.9
130.05013	12.5
134.06073	0.7
142.03244	10.3
144.01154	12.0
144.02188	1.0
150.03777	1.0
150.05525	0.9
162.02213	41.4
163.06265	0.8
164.07072	5.7
164.49181	0.6
165.07877	16.7
170.02754	2.6
179.04866	45.2
187.05457	2.5
196.04292	14.2
201.20427	0.7
213.99210	0.5
215.04974	1.9
233.05922	14.1
233.08034	1.1
244.04559	4.1
245.05960	4.1
265.42294	0.6
290.08084	0.9
291.06332	2.9
307.26721	1.8
308.09216	5.2
308.18979	1.0
308.27167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85000	1.2
53.03943	3.1
54.24740	1.3
55.01867	4.3
55.05519	13.0
57.03447	21.0
57.07074	2.2
59.04990	2.2
65.03945	2.4
67.05173	2.7
67.05512	39.5
69.07074	14.0
69.61905	3.6
69.62320	5.4
73.59785	1.4
79.05497	26.8
81.03439	2.6
81.07062	49.0
83.04964	2.4
83.08617	6.9
85.06548	5.2
91.05489	26.4
93.07053	26.2
95.04974	2.7
95.08612	33.8
95.09231	1.7
95.88642	1.3
96.08907	1.5
97.06554	3.8
97.10173	3.1
98.20747	2.4
99.04465	7.4
102.97572	1.5
105.07036	18.6
107.04958	4.8
107.08609	14.6
107.94777	1.5
109.06516	12.1
109.10165	13.3
111.08074	3.8
113.04214	1.9
117.07039	11.9
119.08587	17.9
121.02869	1.4
121.06522	2.1
121.10163	11.7
123.08094	4.3
123.11695	2.7
125.09620	1.8
129.07001	4.0
131.08569	14.2
133.10139	10.5
135.08060	3.1
135.11662	7.4
137.06013	3.2
137.09612	5.3
137.13303	1.5
138.06311	2.2
143.08591	3.3
145.10135	8.8
147.11696	5.6
149.09647	5.9
149.13261	2.5
151.11252	1.8
157.10104	2.4
159.11696	7.9
161.09657	1.5
161.13290	4.6
163.11238	1.6
165.12839	1.6
173.13347	4.3
175.14870	2.3
183.11742	2.1
185.13287	7.6
201.16388	4.4
203.14375	8.9
209.15425	2.2
219.17453	100.0
229.19429	1.8
235.16917	3.7
239.17989	2.1
257.19000	5.1
275.20071	17.2
307.15320	2.5
307.22818	1.7
307.26263	12.2
307.28595	8.0
318.34940	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1541
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
50.50824	0.7
55.05520	1.8
57.07063	1.2
58.12407	0.7
58.99584	2.2
59.20388	0.7
59.60427	0.7
61.93962	0.6
62.26715	0.8
67.05498	3.5
69.03423	1.2
69.07065	2.2
70.06614	0.7
71.04951	0.9
76.02231	2.5
79.05497	3.7
79.89264	0.8
81.03411	0.8
81.07059	6.4
84.04499	1.8
84.08147	1.5
84.96101	0.7
85.02909	0.8
85.06535	0.8
86.09692	1.2
91.05479	4.4
91.94093	0.7
93.07058	3.8
95.04979	2.0
95.08604	3.8
97.06525	0.7
98.98489	0.7
99.02702	0.7
105.07027	5.0
107.04945	1.0
107.08600	3.3
109.06515	6.5
109.10156	1.8
111.02656	0.9
112.03436	0.9
113.04240	2.9
114.03757	0.7
114.05640	0.7
115.05449	1.4
117.07028	11.7
119.08588	5.7
120.08176	1.0
121.06535	1.5
121.10143	1.7
123.11674	1.0
128.06226	1.5
129.06995	2.7
131.08569	5.6
133.10123	1.7
135.08047	2.9
135.11662	1.2
137.05959	2.1
139.07544	2.2
141.07039	1.8
142.07776	3.2
142.99872	1.0
143.08580	3.8
144.09337	1.1
145.01465	1.2
145.06474	2.6
145.10156	4.4
147.08057	4.9
147.11716	1.1
149.06079	0.8
153.07008	2.0
154.07761	1.1
155.08565	4.6
156.09418	0.9
157.10153	4.8
158.10944	0.9
159.08060	2.7
159.11719	4.2
161.05988	0.9
161.09671	1.3
162.02296	0.9
163.07518	4.6
163.11127	0.9
168.09372	7.1
169.10162	0.9
172.08902	0.9
173.09711	1.3
173.13251	3.1
175.07530	1.8
179.04836	1.2
183.10043	1.1
183.11696	19.7
187.07484	0.8
187.11208	2.4
189.09233	1.7
193.10136	1.5
196.08858	1.5
199.07518	1.1
201.12755	6.1
203.10709	2.9
211.11188	2.9
214.09851	1.6
219.13771	2.1
229.10097	1.2
229.12256	15.9
247.13229	5.4
273.77817	0.7
289.18201	1.5
306.92957	0.8
307.15417	100.0
308.15860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	7.3
56.96566	44.2
60.95841	6.8
61.01151	8.7
61.06934	5.6
67.95086	4.7
70.06579	23.1
70.27085	12.4
70.27443	12.2
70.50230	6.1
71.95247	6.7
72.08153	14.8
84.03030	6.6
84.04499	48.7
84.08153	27.5
84.96024	4.9
85.02911	9.6
86.09707	14.3
88.03972	17.2
88.93779	6.4
97.02866	12.0
98.97599	35.5
101.00866	24.3
102.04060	16.8
103.04134	11.7
107.58353	6.5
110.07153	12.0
110.97610	11.9
115.02452	10.3
116.98642	15.8
119.01923	46.5
128.98616	20.9
129.10139	6.2
130.05005	28.9
130.08649	7.1
131.01851	13.8
133.03456	6.5
143.01910	8.6
145.03453	13.4
146.97758	6.0
146.99683	14.5
147.03148	9.1
147.85365	5.6
150.98956	5.8
155.01810	15.3
157.03412	10.7
158.99698	8.6
161.02917	16.3
164.98933	10.9
165.00685	7.2
167.00496	16.3
168.98149	6.2
173.02959	9.5
175.04463	11.7
180.98372	6.5
187.00941	10.1
187.02661	7.5
191.04065	9.3
191.51085	8.0
205.03630	8.6
215.00394	16.6
216.01741	7.0
217.01828	19.0
217.08147	11.9
219.03584	8.0
220.59149	6.1
221.05019	10.1
229.02068	13.2
235.01541	6.3
236.02562	18.5
237.02783	8.5
238.02101	7.2
247.02983	25.5
247.06746	12.3
265.07825	11.6
307.07846	100.0
307.10974	10.2
325.08139	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	307.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44595	1.3
55.05509	3.7
56.05021	5.7
56.96565	17.1
60.04515	5.5
61.01149	2.6
61.02927	2.4
68.05022	2.8
69.03418	3.9
69.76694	1.2
70.02935	1.5
70.06245	2.3
70.06600	30.3
71.06896	1.5
71.53967	1.7
72.08164	15.8
73.02919	1.7
74.06084	3.8
76.04005	1.3
77.00909	1.5
77.99893	1.3
82.50684	1.7
83.06087	2.3
84.04509	53.3
84.08147	38.0
85.02900	5.6
85.08476	3.3
86.09712	10.9
88.03475	2.0
88.03994	27.0
88.42349	1.4
90.86342	1.4
94.99924	1.3
95.06127	1.5
96.04488	1.7
97.02911	3.0
98.97594	8.5
99.04475	2.2
100.99145	5.1
101.00890	17.7
102.04023	2.5
102.05549	6.4
103.02451	3.2
103.04124	2.6
104.05357	2.0
110.07175	15.8
110.08904	1.6
110.97568	4.2
111.05574	1.3
113.00900	1.9
114.05529	2.6
115.02474	8.2
116.03497	1.8
116.07108	2.8
116.98621	5.3
119.01931	60.2
120.05082	2.3
121.01692	2.9
122.07155	1.3
127.03922	2.5
127.08693	2.7
128.97714	1.7
128.98618	5.8
129.03978	3.9
129.10258	12.7
130.05019	36.0
130.08684	4.1
131.01920	12.7
132.08469	2.0
133.01683	3.3
133.03490	15.1
134.99670	2.1
136.07579	2.3
137.02946	14.0
143.00153	1.6
143.01907	6.1
144.98120	2.9
144.99844	2.5
145.01695	2.5
145.03455	16.0
146.02971	1.6
146.99660	5.3
147.03209	3.1
147.05048	4.6
147.11250	2.5
149.01169	2.2
149.02951	4.5
151.04523	3.5
154.04950	3.5
155.01939	8.8
156.07684	2.8
157.01636	1.8
157.03488	16.6
159.05029	3.0
160.04343	1.6
161.02979	13.9
162.99120	1.6
163.02840	2.6
163.04529	4.5
165.00693	4.8
165.91936	1.3
168.99818	4.8
171.05124	2.0
173.02977	12.5
173.09125	1.3
174.99223	1.4
175.03021	2.0
175.04544	11.4
175.11949	2.1
177.02467	4.0
183.01833	2.2
185.02950	4.7
187.00912	12.5
187.02499	2.3
187.04567	2.8
189.02454	3.0
190.98695	4.2
191.04016	5.2
196.99362	3.5
199.04434	2.9
199.07248	7.1
201.02454	2.6
202.89088	2.9
203.04018	4.9
205.00275	2.2
205.01967	4.7
205.03792	2.0
205.05679	2.5
208.99686	9.2
215.00385	16.8
217.01849	1.7
217.06068	2.0
217.08200	19.9
219.03554	8.0
221.05125	7.3
223.01228	1.5
226.07030	1.6
229.01968	9.5
233.01503	2.0
235.02975	1.8
235.06795	2.3
245.05098	3.1
247.03011	33.0
247.06697	5.2
261.04547	1.6
265.04117	7.3
265.07687	7.7
287.93564	1.5
289.04208	7.8
289.16013	1.5
307.07944	100.0
307.15698	6.3
318.67606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44595	1.3
55.05509	3.7
56.05021	5.7
56.96565	17.1
60.04515	5.5
61.01149	2.6
61.02927	2.4
68.05022	2.8
69.03418	3.9
69.76694	1.2
70.02935	1.5
70.06245	2.3
70.06600	30.3
71.06896	1.5
71.53967	1.7
72.08164	15.8
73.02919	1.7
74.06084	3.8
76.04005	1.3
77.00909	1.5
77.99893	1.3
82.50684	1.7
83.06087	2.3
84.04509	53.3
84.08147	38.0
85.02900	5.6
85.08476	3.3
86.09712	10.9
88.03475	2.0
88.03994	27.0
88.42349	1.4
90.86342	1.4
94.99924	1.3
95.06127	1.5
96.04488	1.7
97.02911	3.0
98.97594	8.5
99.04475	2.2
100.99145	5.1
101.00890	17.7
102.04023	2.5
102.05549	6.4
103.02451	3.2
103.04124	2.6
104.05357	2.0
110.07175	15.8
110.08904	1.6
110.97568	4.2
111.05574	1.3
113.00900	1.9
114.05529	2.6
115.02474	8.2
116.03497	1.8
116.07108	2.8
116.98621	5.3
119.01931	60.2
120.05082	2.3
121.01692	2.9
122.07155	1.3
127.03922	2.5
127.08693	2.7
128.97714	1.7
128.98618	5.8
129.03978	3.9
129.10258	12.7
130.05019	36.0
130.08684	4.1
131.01920	12.7
132.08469	2.0
133.01683	3.3
133.03490	15.1
134.99670	2.1
136.07579	2.3
137.02946	14.0
143.00153	1.6
143.01907	6.1
144.98120	2.9
144.99844	2.5
145.01695	2.5
145.03455	16.0
146.02971	1.6
146.99660	5.3
147.03209	3.1
147.05048	4.6
147.11250	2.5
149.01169	2.2
149.02951	4.5
151.04523	3.5
154.04950	3.5
155.01939	8.8
156.07684	2.8
157.01636	1.8
157.03488	16.6
159.05029	3.0
160.04343	1.6
161.02979	13.9
162.99120	1.6
163.02840	2.6
163.04529	4.5
165.00693	4.8
165.91936	1.3
168.99818	4.8
171.05124	2.0
173.02977	12.5
173.09125	1.3
174.99223	1.4
175.03021	2.0
175.04544	11.4
175.11949	2.1
177.02467	4.0
183.01833	2.2
185.02950	4.7
187.00912	12.5
187.02499	2.3
187.04567	2.8
189.02454	3.0
190.98695	4.2
191.04016	5.2
196.99362	3.5
199.04434	2.9
199.07248	7.1
201.02454	2.6
202.89088	2.9
203.04018	4.9
205.00275	2.2
205.01967	4.7
205.03792	2.0
205.05679	2.5
208.99686	9.2
215.00385	16.8
217.01849	1.7
217.06068	2.0
217.08200	19.9
219.03554	8.0
221.05125	7.3
223.01228	1.5
226.07030	1.6
229.01968	9.5
233.01503	2.0
235.02975	1.8
235.06795	2.3
245.05098	3.1
247.03011	33.0
247.06697	5.2
261.04547	1.6
265.04117	7.3
265.07687	7.7
287.93564	1.5
289.04208	7.8
289.16013	1.5
307.07944	100.0
307.15698	6.3
318.67606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
56.05031	1.0
57.03430	1.9
58.04221	1.6
58.99594	3.2
60.04522	0.8
61.01157	5.7
65.00639	2.5
67.05508	0.7
69.03436	0.6
69.07067	0.8
69.90250	1.0
69.90655	1.8
70.06599	3.5
70.99580	0.8
72.08154	2.5
73.01147	38.6
73.08469	0.6
74.06073	0.7
76.02248	1.0
78.96771	1.5
81.03395	1.1
84.04517	2.8
84.08145	5.3
85.02914	2.3
86.09716	3.3
86.99062	2.3
89.00626	3.4
91.02187	100.0
91.05476	1.0
92.02519	0.6
93.29385	0.6
96.05742	1.4
96.97820	0.6
98.98516	0.7
102.96779	1.2
103.03952	1.5
104.98327	9.5
106.99917	0.8
110.07198	1.6
110.93929	0.7
115.02158	0.8
116.01777	0.6
116.98318	16.3
118.99895	3.5
120.08113	0.6
120.97767	1.4
121.03220	1.0
127.02151	0.7
127.03944	1.4
129.10271	2.8
130.05023	1.0
133.01480	1.0
134.99355	0.9
136.07600	0.7
137.00929	2.1
145.03165	1.2
153.00443	1.5
155.01993	1.0
161.00917	20.8
173.09331	0.5
174.62376	0.6
179.01967	3.4
179.04904	0.6
188.07159	0.7
202.43709	0.6
225.00662	1.3
243.01872	2.4
289.12009	1.0
307.12662	1.4
307.15961	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	307.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05506	1.7
56.05043	3.4
57.03431	1.7
58.04211	1.8
58.99589	2.5
60.04541	0.8
61.01152	6.5
65.00645	3.4
67.05521	0.7
69.03424	1.1
69.07061	1.7
70.06596	6.6
70.84751	1.1
70.99602	0.9
71.04984	0.9
72.08163	4.8
73.01149	37.9
74.06087	6.5
75.02718	0.8
76.02235	1.7
76.04022	0.7
78.96798	1.7
81.03458	0.7
81.07072	0.6
84.04511	5.6
84.08148	9.6
85.01128	0.5
85.02917	2.4
85.04044	0.8
85.06561	0.9
86.09705	5.8
86.99054	2.1
87.02708	0.6
88.04019	0.5
89.00623	3.0
91.02187	100.0
91.05479	2.5
92.98357	0.8
95.04965	0.5
96.05782	1.3
97.02892	0.6
97.06517	0.5
99.02699	1.2
99.04477	1.1
101.00628	0.5
102.05569	0.7
102.96769	0.8
103.03953	2.0
104.98329	7.5
105.07037	0.6
106.99924	0.7
109.02914	0.6
109.06544	0.7
110.07179	2.4
110.93980	0.9
114.10296	0.8
116.07161	0.5
116.98319	16.9
117.03445	0.8
118.06554	2.2
118.99868	3.4
120.08143	2.1
120.97836	1.0
121.03235	0.7
123.09122	0.8
127.03930	3.0
129.10242	4.6
130.04990	1.1
131.12988	0.6
133.01393	0.7
134.99382	0.7
136.07634	1.8
137.00897	2.5
145.02908	3.3
145.04956	0.9
146.06042	2.6
147.04469	0.6
153.00427	1.9
155.01999	2.2
155.08214	1.0
159.08067	0.7
161.00920	22.4
163.02562	0.6
177.03355	0.9
177.05457	4.2
177.10298	1.1
178.03732	0.9
179.01965	3.9
179.04834	0.6
181.06078	0.7
183.11787	0.6
191.08263	0.8
201.12613	0.6
203.08282	0.8
205.09721	0.6
225.00813	2.3
243.01717	2.4
261.12372	2.8
274.15915	0.6
279.13474	1.3
289.00519	0.9
289.11798	0.9
292.07245	0.7
307.01694	1.2
307.09680	1.1
307.12766	7.1
307.18118	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	306.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.3
57.14349	3.0
58.99590	5.8
61.01157	19.0
63.94400	3.1
67.05482	5.0
69.07056	4.8
70.81477	4.7
70.81798	3.8
73.01137	11.2
79.05470	5.7
81.07051	9.0
93.07018	4.9
94.60378	3.2
95.08606	5.1
104.98326	66.7
105.07027	4.3
105.99079	9.3
107.08573	4.5
109.10149	4.6
110.93960	100.0
113.04245	4.8
115.05783	4.8
115.33503	2.6
116.98268	5.5
118.24072	2.6
118.99847	11.6
123.11726	3.9
135.11694	3.7
145.01369	3.1
168.98135	74.1
179.00172	12.0
225.16965	3.0
307.09784	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	307.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
56.05038	1.3
57.03426	2.3
58.04219	1.4
58.06594	1.4
58.99580	3.5
60.04531	1.1
60.35198	0.5
61.01156	6.5
63.89255	0.5
65.00653	3.0
67.05503	0.7
69.03423	0.9
69.07063	1.2
70.06593	6.9
70.72845	1.5
70.99591	0.8
71.04954	0.6
71.56777	0.4
72.08173	4.0
73.01145	33.9
74.00655	0.9
74.06072	2.5
76.02233	1.6
76.04023	1.2
78.96790	1.6
81.03412	0.7
81.07059	1.1
83.06106	0.9
84.04512	5.7
84.08156	5.2
85.01130	0.9
85.02916	2.0
85.04039	1.4
85.04846	0.7
86.09708	9.1
86.99043	2.9
88.03961	1.2
89.00628	3.6
91.02184	100.0
91.05495	1.1
92.84198	0.5
92.98300	0.6
95.06084	0.7
96.05743	0.8
97.02921	0.8
99.02708	0.8
99.04444	0.8
103.03953	0.6
103.05484	0.6
104.98320	9.5
105.99060	0.7
106.99862	1.0
109.06548	0.7
109.93793	0.6
110.00325	0.5
110.07172	1.6
110.93987	1.0
114.10285	0.7
115.08689	0.7
115.45251	0.5
116.07102	1.0
116.98309	14.1
118.99854	2.6
120.08138	1.3
120.97778	1.5
121.03210	1.5
122.02754	0.9
127.03929	1.4
127.67916	0.5
128.10733	0.8
129.06589	1.0
129.10262	2.7
130.05026	2.5
130.06517	0.7
131.04520	1.1
131.05383	0.9
133.01454	0.8
136.07607	1.2
138.69231	0.5
140.81615	0.5
145.03030	2.3
145.08536	0.5
146.06004	3.4
147.04366	0.6
147.06366	1.0
152.03748	0.9
153.00417	1.4
155.02061	0.6
157.07759	0.5
161.00916	21.6
163.02554	0.8
170.06326	0.6
177.03258	2.4
177.05463	3.5
178.03674	2.3
179.01955	4.0
182.06381	0.9
183.11678	1.0
186.04083	0.6
188.07069	0.9
189.07393	2.4
205.09932	0.8
206.10179	1.3
211.11136	0.8
216.30423	0.5
225.00775	0.9
229.12256	0.7
232.04776	0.6
233.05994	0.7
235.44492	0.7
243.01872	2.4
243.11362	0.8
245.13060	0.6
268.55377	0.5
289.06836	1.3
289.11899	1.0
307.10028	0.8
307.17737	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	307.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
56.05038	1.1
57.03429	1.9
58.04206	1.3
58.99585	2.4
59.96721	0.5
60.04540	0.7
61.00872	0.6
61.01154	5.4
65.00637	2.8
67.05518	0.5
69.03429	0.5
69.07070	0.9
69.62306	3.3
70.06596	2.9
71.05017	0.5
72.08153	1.5
73.01147	34.2
74.06078	1.0
76.02229	3.1
78.96777	1.9
79.05521	0.5
81.03429	0.9
82.75468	0.4
84.04516	3.6
84.08153	3.0
85.02903	2.0
85.06527	0.5
86.09700	3.8
86.99058	2.9
88.03978	0.9
89.00622	3.7
91.02185	100.0
92.98307	0.5
96.05764	1.6
97.02900	1.1
99.02679	1.1
99.04460	1.0
102.96764	0.5
103.03955	1.6
104.98315	6.9
106.99886	1.0
109.02877	0.5
110.07183	1.9
110.93955	0.9
115.08704	0.7
116.98315	16.0
117.07005	0.5
118.99866	2.9
120.08110	1.7
120.97798	1.5
121.03201	1.2
127.03954	1.8
128.10733	0.8
129.10217	1.3
130.05003	1.1
130.06546	0.7
133.01485	0.5
134.99368	1.6
137.00928	1.6
142.03247	0.8
145.03172	0.7
145.04974	0.6
146.05972	0.9
153.00439	1.7
155.02020	0.7
157.07620	0.5
158.05956	0.6
161.00914	21.2
162.02240	0.8
179.01973	3.0
179.04886	1.3
183.11740	0.6
188.07124	0.6
189.07449	0.9
206.10124	0.8
217.13435	0.9
225.00784	1.2
240.79327	0.5
243.01894	1.8
261.12601	0.5
293.32239	0.6
307.01678	0.7
307.12607	0.9
307.15875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23221	0.3
52.96262	0.3
55.54007	0.3
69.07071	1.6
70.84196	0.7
77.94653	0.3
79.05473	0.9
81.07067	0.8
87.65968	0.3
89.49195	0.3
90.71968	0.4
91.05460	0.8
93.07063	0.4
94.04192	2.3
97.06524	0.3
99.23391	0.3
99.82304	0.3
99.84995	0.3
107.08588	0.8
109.10166	0.6
114.09156	0.5
122.03663	6.1
126.09116	0.5
133.10132	0.8
135.11674	1.2
137.05983	100.0
138.06339	0.7
153.12738	1.2
170.15421	2.9
182.15421	3.6
206.74593	0.3
258.14261	0.4
306.20633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99947	0.2
53.03934	0.3
55.01868	0.7
55.05518	7.0
57.07068	0.9
62.27535	0.2
65.03928	0.4
67.05511	9.8
67.05873	0.5
69.07075	7.7
69.38616	1.4
69.59090	0.2
70.06587	0.2
71.08643	0.3
72.04506	0.5
74.06074	0.2
79.05502	2.6
81.07064	8.2
83.04980	0.2
83.08620	2.1
85.05292	2.1
86.06065	1.1
91.05466	0.8
93.07052	1.8
95.04999	0.3
95.08614	5.2
96.08139	0.4
97.02888	0.2
97.06511	0.2
97.10195	0.9
98.06062	15.8
99.06809	0.4
105.07053	0.9
107.08593	1.1
109.10155	1.8
110.09660	0.7
112.07610	2.3
113.04233	1.1
119.08546	0.6
121.10140	0.8
123.11717	0.4
124.07558	0.2
124.11211	0.4
126.09186	0.9
133.10133	0.4
135.11713	0.2
137.05002	0.3
137.05997	3.6
138.09174	0.4
140.10741	1.0
149.13319	0.2
152.10640	0.3
154.12270	0.7
166.12332	0.4
168.13844	0.5
180.13841	0.2
182.15445	0.6
194.15440	0.5
196.16966	0.8
197.61324	0.2
208.17018	1.2
210.18565	0.3
222.18536	0.7
224.20097	0.3
226.15555	0.2
236.20059	0.4
238.21878	0.2
250.21609	0.4
306.27927	100.0
307.28253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01861	0.8
55.05517	7.7
56.04995	0.2
57.07087	1.0
65.03929	0.5
67.05508	10.9
68.05865	0.3
69.03403	0.2
69.07073	7.8
69.95594	0.7
70.06567	0.2
70.07407	0.2
72.04512	0.4
75.68913	0.2
79.05058	0.3
79.05496	3.1
80.05032	0.2
80.05822	0.3
81.03406	0.2
81.07062	8.8
82.06582	0.3
82.07394	0.4
83.08623	3.0
84.08157	0.2
85.05294	2.3
86.06072	1.0
91.05490	0.9
93.07043	2.3
94.07384	0.3
95.04953	0.4
95.08614	6.0
96.08151	0.5
96.08927	0.3
97.06499	0.3
97.10178	1.1
98.06061	16.1
99.06873	0.3
99.54758	0.2
100.07592	0.3
105.07039	0.7
107.08603	1.1
108.08148	0.2
109.06519	0.2
109.10159	1.4
110.09668	0.5
112.07614	1.9
113.04218	0.6
119.08574	0.5
120.08114	0.2
121.10166	0.4
122.03659	0.4
123.11687	0.5
124.07609	0.3
124.11270	0.3
125.08337	0.3
125.09645	0.2
126.09169	0.6
133.10143	0.4
135.11682	0.5
136.01834	0.2
137.05988	5.4
137.89706	0.2
138.09160	0.6
140.10698	0.7
148.11166	0.2
149.13356	0.3
150.13634	0.2
152.10715	0.3
154.12302	0.8
161.13252	0.2
165.12766	0.6
166.12254	0.4
168.13849	0.5
170.15382	0.3
180.13797	0.3
182.15504	0.4
194.15370	0.3
196.16982	0.8
208.16972	1.2
208.31375	0.2
210.18617	0.2
222.18538	0.6
226.14386	0.2
236.20096	0.7
250.21718	0.4
306.27924	100.0
307.22708	0.6
307.28146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
55.78915	0.7
56.05040	5.0
56.96572	20.3
57.07063	0.7
58.06596	1.3
60.04530	28.8
60.05647	1.6
60.11974	0.8
61.01145	1.5
64.52824	0.7
69.07082	4.8
69.94810	3.6
70.02938	1.5
70.06594	12.6
71.06938	0.9
72.08162	12.6
73.01147	1.4
73.02919	0.9
74.00616	0.8
74.06084	8.1
74.17976	0.7
81.04493	0.7
82.06607	0.7
83.06125	1.1
84.04528	5.1
84.08152	10.0
84.96034	1.7
85.02891	1.7
86.09711	80.6
87.05598	13.3
88.03983	1.1
88.07626	0.8
91.05476	0.9
93.07004	0.8
95.04967	0.8
97.02884	1.2
98.06047	4.8
98.20745	1.3
98.97596	4.9
102.05512	1.3
104.05321	2.0
105.06590	2.2
106.05038	1.1
109.02787	0.8
110.07191	4.7
110.09646	1.3
110.97566	1.7
112.08745	1.2
115.08672	0.9
116.07102	16.7
116.98609	3.1
118.08666	2.2
119.01914	1.7
121.06530	0.8
122.07178	0.7
128.10732	13.4
128.98605	3.0
129.06604	0.9
129.10251	4.4
129.94012	0.7
130.05067	1.6
130.09804	0.9
130.93251	1.1
131.00157	0.7
131.01913	1.1
132.08311	1.3
133.03329	1.1
134.99701	0.9
136.07588	1.3
137.05984	1.0
141.06589	0.7
141.10242	0.7
143.08139	5.8
144.98105	0.9
145.03444	1.3
146.97958	4.0
146.99635	2.6
147.04443	1.2
148.52243	0.8
149.01103	0.7
156.00183	0.9
156.07611	0.9
158.09238	1.3
158.99692	1.0
161.01311	1.1
161.02827	0.7
161.09225	6.4
162.97141	0.6
164.98959	6.7
165.00516	1.7
171.07693	0.8
173.12872	100.0
174.03888	6.6
174.13266	0.8
174.99187	2.3
175.07193	1.0
175.11916	2.6
177.03290	0.9
182.99945	1.7
188.98967	3.4
189.08723	8.6
190.01326	1.2
190.98544	1.0
193.00221	3.3
198.06436	0.7
199.11249	0.9
201.12369	21.0
202.12483	0.7
205.00150	1.3
205.11763	1.4
207.00056	3.7
208.99736	1.9
210.95796	0.8
211.99054	1.0
216.98473	1.7
219.13434	2.6
221.05292	0.8
225.98981	2.7
229.11893	1.2
234.99477	12.6
235.49646	1.7
237.02914	1.1
244.00134	3.4
246.05164	1.2
247.01241	1.0
253.00543	3.5
264.06332	0.8
265.02545	0.8
277.46317	0.7
288.15549	4.9
306.08145	1.4
306.16031	7.3
307.04245	0.9
316.85660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1657
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
53.03960	0.7
55.01870	0.8
55.05518	15.1
56.05044	1.6
57.05818	1.6
59.86166	0.7
60.04517	0.7
68.99796	1.7
69.07108	0.7
69.82751	3.2
69.83160	1.3
70.06596	4.8
72.08162	100.0
73.08469	0.7
81.03379	0.7
84.04519	1.5
84.08156	5.4
86.09711	4.4
98.06065	2.6
98.20835	1.3
99.09224	1.9
102.05511	0.7
110.07166	1.9
111.00832	0.8
115.05479	1.6
116.07109	3.1
117.05789	1.2
117.07030	1.1
118.06541	5.9
120.08144	3.1
127.08704	4.5
129.10272	2.8
130.06535	12.4
132.08102	27.5
137.02356	3.0
138.02667	2.2
142.06580	3.2
143.07321	0.8
144.08099	23.1
146.06026	27.8
150.02711	1.0
153.01851	2.5
154.02222	2.4
159.09190	44.1
160.07626	2.6
165.01907	0.9
166.02260	1.2
170.06015	10.3
188.07085	62.1
202.05849	2.2
205.09750	50.3
229.04857	0.9
230.05302	4.0
240.12112	1.2
258.04800	2.3
259.14520	2.0
268.11646	5.4
271.50009	0.8
286.04285	1.2
286.12784	4.9
286.15421	1.0
287.13910	22.6
304.05365	60.2
304.16528	10.6
304.19754	1.0
305.05389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.0
58.50867	2.8
58.99578	10.0
60.99164	2.5
61.01157	36.1
63.00726	10.4
67.05518	3.5
67.63529	2.3
69.07056	5.0
70.99554	3.8
73.01150	47.7
74.00652	3.7
74.01915	5.0
75.00728	17.2
75.02699	10.6
76.01525	3.4
77.02258	4.1
79.05492	3.9
81.07069	5.4
83.08629	13.3
84.04518	3.1
87.02682	7.1
89.02258	2.6
89.04242	3.4
91.05473	2.4
93.07023	3.4
95.08596	4.9
96.31795	2.1
98.20756	8.4
101.04227	9.6
103.03830	3.1
104.98326	100.0
105.07064	3.0
106.97906	94.8
107.08602	5.6
109.10171	3.8
112.40731	2.3
113.04223	8.3
113.53698	2.3
115.03748	2.5
121.05037	2.4
126.78816	2.4
137.00897	25.8
139.00482	19.8
147.02985	72.9
147.11636	2.3
149.02565	66.9
149.13216	3.3
165.04062	16.1
167.03662	14.0
170.08083	3.4
236.75481	2.6
302.94443	2.7
305.05890	3.3
305.24683	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	305.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07896	3.4
54.24157	3.1
55.05502	6.8
58.99585	11.7
60.99153	5.5
61.01158	35.1
63.00746	13.8
65.24272	3.4
67.05511	6.4
69.07054	9.2
70.06590	8.1
70.99552	3.6
71.00253	8.3
73.01150	46.2
74.00647	4.4
75.00710	12.3
75.02693	5.7
79.05490	9.2
81.07053	12.0
83.08622	13.8
84.04510	3.0
84.08171	3.5
87.02687	10.9
88.07652	4.2
91.05502	5.6
93.07048	13.8
95.05013	4.5
95.08610	8.5
97.06538	11.0
99.02670	4.1
101.04265	17.6
104.98323	100.0
105.07021	4.3
106.97906	93.2
107.08598	8.5
109.10130	6.5
110.93964	16.6
112.93536	3.9
113.04219	30.0
119.08569	5.2
120.99403	4.4
126.09071	3.4
126.50993	2.9
129.03737	17.8
130.04491	5.2
131.08626	5.6
132.10182	3.7
133.10135	3.3
135.11679	4.3
137.00909	19.7
139.00458	21.5
147.02980	62.4
147.11711	6.5
149.02563	60.7
149.13301	6.8
165.04065	12.5
166.08537	5.6
167.03604	10.9
200.20000	3.4
215.10690	2.8
244.12990	3.4
244.22734	11.9
263.12894	6.1
269.19098	3.5
270.11230	4.4
281.67166	3.6
287.13947	11.5
287.20154	6.2
288.12347	6.7
305.05554	27.6
305.21277	4.6
305.24783	6.9
306.26456	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	306.1451
Annotation	Thr-Trp
Peak:m/z	Relative Intensity
55.01875	4.9
55.05508	2.1
56.05041	15.7
57.03449	2.2
58.06606	4.4
60.04520	2.5
61.01131	1.5
69.07047	0.9
70.06601	10.7
70.84906	2.7
71.57172	0.8
72.08169	6.7
73.01141	3.0
74.00671	5.0
74.02438	1.1
74.06087	57.9
76.04014	7.4
82.06599	0.8
83.06114	6.7
84.04512	18.6
84.08156	13.3
85.02921	2.5
85.04034	21.6
85.08452	1.8
86.09711	8.0
88.03959	1.1
91.02184	10.6
91.05495	2.8
92.01221	0.9
92.01706	5.2
95.04997	1.1
95.06119	1.5
97.02859	1.0
98.06051	0.9
102.05544	1.2
103.05437	1.5
104.05325	1.8
104.98314	2.5
107.06055	1.1
109.07642	2.5
110.07159	4.5
112.03985	3.6
112.07587	1.1
113.03482	3.7
113.07141	1.5
115.08732	1.6
116.07079	1.8
116.98260	0.9
117.07043	0.8
118.06544	10.4
120.08105	12.9
121.08452	3.9
129.06610	11.6
129.10236	6.5
130.05019	18.2
130.06520	12.1
130.10577	1.0
131.04538	11.8
132.08107	8.7
135.05553	2.3
136.07556	2.3
137.05975	1.6
139.03250	3.0
141.04874	1.0
141.06670	1.2
142.06522	1.7
143.07314	1.4
144.06508	0.8
144.06935	1.3
144.08089	17.0
146.06024	50.3
149.03792	1.8
153.06619	2.7
155.08145	3.0
158.05962	1.6
158.08368	1.3
159.09181	10.0
160.00645	3.3
160.07579	1.8
161.00905	2.2
164.07266	1.2
169.06145	4.4
170.04681	1.1
170.05966	5.8
174.03595	1.0
177.03304	42.4
181.06084	9.4
185.03842	7.5
187.08679	1.5
188.07083	100.0
189.07384	1.1
197.10786	1.3
205.09740	50.7
217.09738	2.9
231.04337	8.5
245.09273	7.1
260.14041	6.8
288.06516	8.3
288.13593	4.2
292.48859	0.9
306.07901	4.8
306.14499	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	303.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.9
57.03497	1.2
58.99574	4.8
60.05000	1.2
61.01149	23.9
63.00709	1.5
67.05482	1.4
69.07056	2.9
70.44613	3.9
70.44944	1.4
70.99568	2.6
73.01147	34.3
74.01907	4.0
75.00709	1.6
75.02708	6.5
79.05439	1.6
81.07037	2.0
83.08619	7.4
87.02707	3.8
94.66927	1.3
99.78842	1.4
101.04239	10.8
101.99061	1.3
104.98321	100.0
106.97916	11.9
113.04233	8.0
115.26679	1.5
116.98319	2.0
118.99826	2.2
137.00929	18.6
137.02327	2.4
138.05502	5.0
138.09097	2.3
139.00514	5.7
147.02977	61.3
149.02576	6.6
150.95319	1.4
153.01816	2.4
165.04071	16.7
166.05006	9.6
183.02937	1.5
229.05132	1.6
232.13350	1.7
249.74303	1.3
257.12979	1.9
272.11459	2.5
275.13870	1.7
285.12296	4.4
303.05014	26.7
303.13358	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	303.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99585	6.2
61.01153	22.7
62.33426	2.3
69.07052	2.7
69.26000	20.8
70.99589	1.8
73.01145	29.6
74.01936	4.7
75.02698	5.6
81.07063	2.7
83.08628	8.8
87.02699	5.8
101.04257	6.3
104.98325	100.0
106.97901	13.8
110.93955	2.8
113.04234	5.7
137.00919	20.5
139.00502	4.2
147.02971	58.7
149.02570	8.1
153.01820	2.8
165.01950	2.2
165.04031	14.8
303.05124	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	303.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31652	1.3
58.99585	5.7
61.01159	26.6
69.07068	1.7
69.48959	8.4
70.99573	2.1
71.24218	1.3
73.01150	31.1
74.01923	3.5
75.02705	4.7
83.08614	6.6
87.02692	4.3
89.89438	1.4
101.04245	7.6
104.98326	100.0
105.03745	1.9
110.93936	2.7
113.04230	4.5
113.29314	1.2
137.00911	21.8
147.02983	60.9
165.04004	9.8
303.05087	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	303.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
56.96571	10.1
59.21563	1.5
70.98691	3.5
73.01141	1.7
83.08630	1.2
88.30219	1.4
91.05504	7.9
93.07064	12.8
95.04951	4.5
103.05469	9.5
104.98320	1.3
105.62554	1.4
106.34557	1.3
109.10104	1.2
113.04235	1.6
121.06516	100.0
149.80269	1.4
165.05511	24.2
183.02997	1.6
183.06517	6.9
198.40323	1.5
213.04323	2.0
240.03299	1.5
303.04968	6.3
303.08295	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15976	0.9
53.03958	2.5
54.12123	0.9
55.05490	2.4
57.03444	1.3
58.99595	1.7
60.99175	1.6
61.01154	1.3
65.03930	1.7
66.44236	0.9
67.05505	4.5
68.99783	3.3
69.03426	1.2
69.07072	7.0
70.06585	1.2
71.15768	2.2
73.01149	3.3
77.03957	0.8
79.05486	2.4
81.03402	1.8
81.07059	6.0
83.08623	0.9
84.08144	1.9
85.02946	1.1
86.09704	1.2
86.10503	0.9
91.05493	9.4
91.54086	0.8
93.07056	14.4
95.04988	6.2
95.08627	5.2
97.06523	1.6
99.02660	1.3
99.04460	1.3
101.04257	2.2
103.05477	8.8
104.98316	7.7
105.07041	5.8
106.88438	0.9
106.97941	1.6
107.08570	4.8
109.02898	1.6
109.06518	1.2
109.10176	4.3
110.07182	1.9
111.00813	2.4
111.04453	2.3
113.04257	2.5
115.03800	2.0
116.05350	0.9
116.98329	1.7
119.08571	5.0
119.19612	0.8
121.02845	2.2
121.06513	82.3
121.10145	2.9
122.03630	1.6
123.04429	2.6
123.11713	1.3
127.02193	1.3
127.03922	1.5
128.02931	1.4
129.03722	2.2
131.03270	1.1
131.05008	0.9
131.08566	1.3
133.10115	3.3
135.11684	1.7
137.00945	1.3
137.01265	1.4
137.02336	10.3
137.05997	1.0
141.01805	1.0
144.99559	0.9
145.10161	2.4
146.92395	0.9
147.02974	4.0
147.11694	4.5
149.02429	1.6
149.13286	1.5
150.03073	1.0
151.11133	1.1
153.01834	10.1
153.05510	1.3
155.04846	1.2
157.10164	1.0
159.11685	1.4
161.05969	1.3
161.09567	1.3
161.13300	2.1
163.03999	1.7
163.11139	1.3
165.01868	3.2
165.05479	16.7
165.06859	1.2
168.00581	1.7
169.04953	1.0
169.10242	1.2
173.06038	1.4
174.62820	1.0
177.05530	2.0
183.02983	6.4
183.06537	6.8
183.07996	1.4
186.01642	1.1
197.04338	1.2
198.09207	1.9
201.05504	3.9
227.22031	1.3
229.04968	7.7
243.11539	5.3
247.06079	1.4
254.14194	1.1
257.04471	6.1
274.04953	1.4
285.03900	1.7
285.12186	5.2
285.18582	0.9
285.22461	1.4
303.05017	100.0
303.19913	1.6
303.23264	10.2
304.05371	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05516	1.4
57.03434	4.7
58.02946	1.2
60.04530	8.9
61.02922	3.9
67.25821	1.2
69.03432	12.6
69.07069	39.4
70.06597	2.8
71.08637	22.1
72.08121	1.3
73.02917	3.1
81.03421	7.4
84.04491	4.3
84.08154	2.4
85.02908	64.8
86.02452	5.8
86.09711	4.0
96.08137	4.4
97.02279	2.4
97.02898	43.3
97.06537	5.5
98.21519	2.7
103.03976	7.4
109.02885	12.2
111.07491	1.4
114.09172	19.6
120.08123	1.6
127.03929	13.5
131.49672	1.4
138.09122	3.0
142.08633	100.0
145.04950	7.1
156.10179	3.0
180.10213	1.2
184.09698	73.9
208.09662	17.0
210.21365	1.1
220.09618	1.5
238.10738	3.3
250.10715	10.5
285.75446	1.6
286.12726	1.7
304.05289	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	303.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99591	5.2
61.01156	24.2
69.07070	1.0
69.97433	4.1
70.99570	2.3
73.00730	1.6
73.01145	32.6
74.01936	4.4
75.02708	6.6
78.96776	1.1
79.05505	0.8
81.07062	1.8
83.08608	4.6
85.01141	1.0
87.02702	6.0
89.76185	0.8
101.04250	7.7
104.98323	100.0
105.03731	1.3
105.07010	1.0
108.67124	0.9
110.93954	2.3
113.04236	5.3
118.99875	1.4
137.00912	21.7
137.02370	1.6
147.02980	60.2
149.04439	0.9
153.01880	0.9
156.92682	0.7
165.01930	1.1
165.04050	16.2
169.06415	0.8
229.05043	1.4
303.05072	11.6
303.23215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
61.62983	0.1
65.03934	0.5
65.55498	0.2
67.01851	0.4
67.05495	0.3
68.99445	0.1
68.99794	2.1
69.03423	0.3
71.01342	0.1
71.07467	0.3
80.70505	0.1
81.03415	0.8
93.03397	0.7
95.04977	0.8
95.11660	0.1
97.02847	0.2
97.59767	0.1
98.94569	0.1
105.03430	0.3
105.07047	0.1
109.02865	1.2
110.03622	0.1
111.00812	1.7
114.62380	0.1
115.05433	0.2
117.06994	0.5
121.02875	2.4
123.04485	0.6
127.03948	0.5
131.04921	0.4
135.04413	0.4
137.02354	7.7
137.03407	0.6
145.02896	0.2
145.06480	0.9
149.02393	0.9
153.01836	10.3
155.04967	1.2
159.04408	0.3
161.06032	0.7
162.24577	0.1
163.03912	1.3
165.01845	3.7
166.02638	0.6
173.06006	1.5
177.01805	0.2
177.05496	0.3
179.03456	0.5
183.02892	1.6
183.04442	0.8
187.03937	1.1
191.03406	0.3
191.07037	0.2
195.02901	0.4
201.05475	4.8
204.38226	0.1
205.04959	0.3
207.02840	0.3
211.03926	0.4
213.05490	0.3
215.03386	0.1
219.02928	0.3
219.06534	0.6
228.04222	0.5
229.04967	9.8
230.05452	0.2
232.03772	0.2
233.04607	0.2
239.03374	0.4
245.04582	0.1
246.05261	0.1
247.06039	1.2
257.04465	5.3
258.04953	0.2
274.04755	1.3
275.05542	0.4
285.03967	2.4
286.04568	0.2
303.05002	100.0
304.05344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01865	0.3
65.03929	0.6
65.89140	0.2
66.72840	0.2
66.99540	0.2
67.00628	0.2
67.01860	0.3
67.05506	0.4
68.99441	0.2
68.99795	2.4
69.03421	0.4
71.01327	0.2
71.09689	0.5
72.62601	0.1
81.03415	0.6
82.86838	0.1
93.03417	0.8
95.04958	0.8
103.05459	0.2
105.03384	0.3
107.04952	0.3
109.02892	1.0
111.00812	1.8
115.05456	0.2
117.00009	0.2
117.07001	0.4
121.02881	2.5
123.04432	0.6
127.03912	0.4
131.04927	0.5
133.06540	0.2
135.04413	0.5
137.02353	7.5
137.03381	0.5
145.02931	0.2
145.06485	0.7
149.02351	0.7
153.01840	11.1
155.04910	1.0
157.06538	0.3
159.04405	0.2
160.05078	0.2
161.05986	0.8
163.03972	1.2
165.01852	3.6
165.71960	0.2
166.02599	0.5
173.06018	1.9
177.01831	0.2
179.03424	0.4
183.02893	1.5
183.04431	0.8
185.06078	0.2
187.03928	0.7
191.03400	0.4
195.02879	0.6
201.05475	4.3
205.05112	0.4
211.03952	0.5
213.05365	0.3
219.06534	0.6
228.04149	0.8
229.04968	9.2
239.03413	0.5
247.06033	1.5
257.04440	5.2
274.04828	1.2
275.05386	0.3
285.03967	2.4
303.05005	100.0
304.05341	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01869	0.4
56.38535	0.2
65.03957	0.3
68.99798	2.3
69.07052	0.5
70.06579	0.3
70.22555	0.2
71.10081	0.4
71.50394	0.2
81.03409	0.7
84.08145	0.3
86.09721	1.9
87.10023	1.0
93.03409	0.4
95.04945	0.9
97.02880	0.3
109.02874	0.9
111.00809	1.4
121.02863	2.2
123.04408	0.6
127.03918	0.5
131.05023	0.3
135.04471	0.5
137.02364	7.3
137.03391	0.5
145.02908	0.4
145.06474	0.5
149.02348	0.7
153.01839	10.3
155.04901	0.8
155.06096	0.3
159.04457	0.4
161.06004	0.4
163.03996	1.3
164.05547	0.3
165.01848	3.8
166.02631	0.3
173.05946	1.6
177.05360	0.3
179.03424	0.6
183.02887	1.9
183.04442	1.0
187.03929	0.9
195.02930	0.5
201.05495	4.6
205.04959	0.4
211.04001	0.4
219.06560	0.6
228.04131	0.6
229.04965	9.9
239.03502	0.4
239.11830	0.4
247.05968	1.1
257.04471	4.5
267.11343	1.3
274.04797	1.4
275.05411	0.3
285.03995	2.0
285.12280	1.5
286.19305	0.3
303.05002	100.0
304.05396	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01862	0.3
55.05514	0.3
65.03931	0.5
67.01860	0.5
67.05480	0.3
68.99791	2.3
69.03421	0.3
70.06585	0.4
70.68202	0.2
70.68531	0.3
71.01350	0.1
72.08158	2.0
73.08470	0.4
81.03430	0.8
84.04468	0.2
84.08157	0.6
85.02939	0.1
86.09710	1.2
87.10052	0.3
91.05482	0.2
91.31789	0.1
93.03403	0.8
95.01334	0.1
95.04974	0.8
97.02884	0.2
103.05477	0.2
107.04915	0.3
109.02895	1.1
110.07152	0.4
111.00806	1.9
111.04447	0.1
115.05412	0.2
117.07011	0.4
120.08105	0.2
121.02011	0.1
121.02873	2.4
123.04452	0.8
127.03912	0.9
128.06218	0.1
129.06946	0.2
129.10239	0.3
131.04926	0.5
132.08058	0.1
132.10165	0.2
133.02896	0.1
133.06532	0.1
135.04395	0.7
136.07507	0.1
137.02351	9.8
137.03404	0.7
139.05429	0.2
143.11818	0.8
144.12146	0.5
145.02847	0.3
145.06497	0.9
147.04201	0.1
149.02350	0.9
153.01833	9.9
155.04909	1.1
157.06442	0.2
159.04408	0.3
161.05917	0.6
163.03903	1.5
165.01846	3.5
166.02620	0.5
171.03023	0.2
171.11252	0.3
172.11632	0.4
173.02295	0.1
173.06003	1.6
177.01837	0.2
177.05426	0.4
179.03439	0.4
183.02884	1.4
183.04430	0.8
187.03923	1.0
188.07037	0.2
191.03430	0.2
191.06984	0.2
195.02899	0.5
195.09090	0.3
196.09996	1.0
201.05466	4.1
205.05034	0.4
207.02914	0.2
211.03902	0.3
211.08775	0.3
211.12315	0.4
212.10730	0.6
213.05521	0.3
214.65855	0.1
215.03371	0.3
219.02916	0.3
219.06546	0.4
224.09503	0.6
228.04222	0.7
229.04967	9.3
230.05339	0.1
232.03708	0.2
239.03423	0.4
239.11790	1.4
241.13362	0.5
246.05281	0.2
247.06053	1.3
257.04462	5.7
257.12482	0.2
261.03995	0.2
267.11279	5.0
274.04727	1.5
275.05536	0.4
285.03976	2.4
285.12350	5.0
286.04434	0.1
303.04993	100.0
304.05359	2.0
312.87225	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03957	0.1
55.01865	0.4
56.98164	0.1
62.92427	0.1
65.03952	0.6
67.01864	0.4
67.05489	0.2
68.99430	0.2
68.99790	2.5
69.03429	0.3
70.06587	0.2
70.78976	0.2
70.79315	0.1
71.01365	0.2
72.08157	0.2
73.22397	0.1
79.07706	0.1
81.03413	0.9
84.08138	0.2
85.02908	0.1
86.09720	0.2
89.62222	0.1
91.05476	0.3
93.03408	0.8
95.04967	0.8
105.03386	0.3
107.04946	0.3
109.02865	1.2
110.03674	0.2
110.07131	0.2
110.74551	0.1
111.00813	1.8
115.05448	0.2
117.07013	0.2
121.02876	2.1
123.04444	0.7
127.03903	0.8
129.10242	0.3
131.04907	0.3
133.06442	0.2
135.04407	0.6
137.02350	9.1
137.03394	0.5
143.04892	0.2
145.02831	0.3
145.06487	0.9
149.02362	0.8
153.01830	10.6
155.04903	1.0
155.05959	0.1
155.53784	0.1
157.06558	0.2
159.04387	0.3
161.06009	0.8
163.03915	1.4
165.01831	3.9
166.02596	0.6
173.05980	1.7
177.01907	0.3
177.05562	0.3
179.03397	0.3
183.02892	1.6
183.04449	1.0
187.03918	0.9
191.03412	0.4
191.07008	0.2
195.02844	0.4
201.05470	4.6
205.04997	0.6
207.03000	0.2
211.03937	0.5
213.05467	0.2
215.03438	0.2
219.02864	0.4
219.06541	0.6
228.04236	0.5
229.04964	9.7
230.05348	0.2
232.03596	0.2
233.04471	0.2
239.03360	0.5
245.04495	0.2
246.05133	0.3
247.06023	1.4
257.04462	5.2
258.04971	0.2
274.04727	1.4
275.05420	0.3
285.03934	2.2
303.04993	100.0
304.05359	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00332	0.1
53.03933	0.2
55.01867	0.4
57.11843	0.1
60.99172	0.1
64.41579	0.1
65.03930	0.4
66.03912	0.1
67.01855	0.3
67.05485	0.4
68.99435	0.1
68.99791	2.1
69.03436	0.2
70.06588	0.2
70.25376	0.4
81.03407	0.6
81.07125	0.1
86.09708	0.1
91.05437	0.1
93.03389	0.5
95.04998	0.7
97.02866	0.2
105.03411	0.2
107.04946	0.2
109.02892	1.1
110.07121	0.2
111.00805	1.9
111.04420	0.3
112.29314	0.1
112.92570	0.1
113.76165	0.1
117.07027	0.3
121.02880	2.4
123.04431	0.7
127.03928	0.8
131.04901	0.4
133.02850	0.1
135.04388	0.4
137.02350	8.5
137.03394	0.5
144.90846	0.1
145.02843	0.2
145.06491	0.7
149.02332	0.9
153.01833	9.5
155.04945	1.0
157.06458	0.3
159.04382	0.3
161.06010	0.7
163.03899	1.5
165.01836	3.4
166.02603	0.5
167.03357	0.1
171.02974	0.2
173.05977	1.4
177.01837	0.2
177.05457	0.3
179.03380	0.4
183.02885	1.6
183.04431	0.8
187.03915	0.8
191.03410	0.3
191.07004	0.2
191.86980	0.1
195.02875	0.4
201.05487	4.2
203.03511	0.1
205.04984	0.4
207.02922	0.2
211.03909	0.3
213.05421	0.2
215.03395	0.2
217.05006	0.1
219.03011	0.2
219.06496	0.5
220.83058	0.1
225.05443	0.1
225.10161	0.1
228.04166	0.5
229.04965	8.7
232.03702	0.2
233.04570	0.2
239.03439	0.4
245.04512	0.1
246.05176	0.2
247.05980	1.4
257.04446	5.0
258.05045	0.1
274.04691	1.1
275.05328	0.3
285.03958	2.2
285.07056	0.2
285.12579	0.2
286.04526	0.1
303.04996	100.0
304.05313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30826	0.5
56.03880	0.5
56.96562	1.2
57.46315	0.5
60.55579	0.5
67.29993	0.6
69.73762	2.4
78.55853	0.5
98.97599	8.0
101.00882	1.7
116.98631	4.4
119.01926	4.9
134.99658	2.1
137.02966	1.8
158.99895	1.1
160.88486	0.6
172.94386	1.0
177.00978	14.0
178.01007	1.1
179.00812	0.6
183.02873	0.5
201.00938	1.4
217.04086	2.3
219.02028	20.9
220.02000	2.4
221.01880	1.8
225.00986	2.2
243.02052	8.7
244.01979	0.9
256.96622	0.6
261.03082	100.0
262.03229	8.7
263.03168	0.6
275.04514	0.8
279.00540	3.1
279.98029	1.7
280.00818	0.8
283.00076	0.9
284.04745	1.8
284.99741	1.5
301.01114	1.8
303.00897	3.5
303.04321	1.6
320.98038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01887	0.4
58.45120	0.2
65.03950	0.7
66.53339	0.3
67.01864	0.6
67.05489	0.4
68.99795	2.4
69.03432	0.3
70.34300	0.5
70.34689	0.5
81.03426	0.8
83.61536	0.3
85.12900	0.2
91.05473	0.3
93.03429	0.5
95.04963	0.8
95.08614	0.3
105.03423	0.4
105.07024	0.5
109.02876	1.0
110.07262	0.3
111.00809	1.7
114.85369	0.2
117.07050	0.4
120.08102	0.3
121.02878	2.3
123.04424	1.0
127.03959	0.8
129.06905	0.3
131.04950	0.5
134.79295	0.2
135.04352	0.3
137.02348	7.9
137.03395	0.5
137.06038	0.3
145.06461	0.8
147.11722	0.4
149.02338	0.8
153.01836	11.4
155.04919	1.2
157.06433	0.3
159.04439	0.4
159.11771	0.3
161.05978	0.6
163.03880	1.3
165.01830	3.6
166.02640	0.4
170.87718	0.2
173.05991	1.5
177.01799	0.3
179.03450	0.4
183.02902	1.8
183.04457	1.1
183.08060	0.4
187.03931	1.2
191.07072	0.3
195.02884	0.5
201.05476	4.5
205.05063	0.5
207.02802	0.3
208.00557	0.3
215.03349	0.3
219.06532	0.4
228.04289	0.7
229.04965	9.6
239.03452	0.4
246.05341	0.4
247.06010	1.2
257.04446	5.4
274.04730	1.8
275.05542	0.4
285.03937	2.6
289.15393	0.2
303.05002	100.0
304.05399	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05301	0.5
55.05514	5.4
56.05038	3.2
57.03443	2.8
57.07076	4.2
60.04529	25.2
67.05511	7.3
68.05031	3.7
69.03431	0.8
69.07069	7.3
69.71920	1.1
69.72285	2.9
70.06602	2.5
71.04998	3.1
71.08629	2.1
72.04527	2.5
73.01141	1.0
73.02895	0.5
74.06110	1.0
75.84428	0.6
79.05495	1.7
80.05003	0.6
81.07069	7.2
82.06573	1.3
83.05006	0.8
83.08630	3.8
84.08148	1.0
85.10193	1.1
86.09709	1.2
90.05548	2.1
91.05478	1.0
93.07040	1.2
94.06579	5.3
95.04951	0.6
95.08609	7.5
97.10182	2.6
98.06058	2.1
98.20818	0.7
104.98340	0.9
107.08600	1.1
108.08100	1.0
109.10175	2.6
111.02680	0.5
111.11681	0.7
113.04218	0.6
116.07117	1.1
118.06512	0.6
121.10141	0.8
123.11678	0.6
147.02838	0.5
148.03342	0.6
164.07095	0.7
178.15730	0.6
186.01567	0.8
196.04317	2.7
198.22151	2.3
206.11708	0.9
210.22192	1.5
212.23755	1.6
224.23814	0.7
228.23239	36.8
229.23552	1.1
236.23747	6.8
237.22250	0.8
238.09081	0.8
238.25308	1.2
240.23140	0.7
248.23732	2.6
266.24802	14.0
284.25861	15.0
284.29077	0.9
287.05020	4.9
302.07507	4.8
302.26913	100.0
303.05017	2.3
303.27304	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	302.2077
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.05518	2.1
57.05805	0.4
59.26257	0.4
67.05498	1.3
69.03421	0.8
69.07075	9.4
70.06588	2.7
70.90305	1.0
72.08162	37.2
81.03426	0.6
84.04505	1.1
84.08157	3.1
85.02919	4.0
86.09713	100.0
86.34763	0.4
87.10033	0.5
95.04964	2.0
97.02902	2.2
103.03963	0.5
107.37749	0.4
109.02896	0.7
112.07627	2.1
113.07925	0.6
126.17369	0.5
127.03935	1.1
129.10243	2.7
134.05998	0.4
137.02409	0.5
140.07092	4.7
145.04980	0.6
152.07120	0.7
162.86107	0.4
173.12634	0.4
182.08147	2.9
185.16507	31.5
189.12352	6.8
199.18082	13.7
206.08197	0.5
213.15990	11.6
227.17569	3.2
287.05057	1.1
302.07315	1.1
302.20969	0.5
303.05054	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27365	0.4
60.04542	0.5
64.36577	0.3
67.05503	0.5
69.07070	1.5
70.06599	2.2
70.51506	0.3
70.60743	0.6
70.61082	0.7
72.08152	0.5
75.05602	1.1
83.04234	0.4
84.08148	1.1
86.09708	100.0
87.10020	0.6
104.98318	0.7
110.07192	1.3
121.02803	0.5
129.10225	1.2
132.10202	10.2
137.02327	0.9
143.11801	67.2
148.65996	0.4
153.01848	1.0
155.06978	0.6
171.11295	15.0
173.12859	1.4
229.04955	1.0
245.18591	0.6
257.04465	0.8
287.05002	0.7
302.04160	0.7
302.10541	0.4
302.15829	0.5
303.05005	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	302.2077
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.05520	5.3
56.05024	0.7
60.04524	0.8
68.99767	0.9
70.06591	2.4
70.57148	1.0
70.57481	1.2
72.08163	100.0
84.04524	1.2
84.08155	2.6
85.53802	0.6
86.09715	51.8
100.07641	0.9
110.07197	1.7
118.08665	1.6
121.02856	0.7
129.10277	1.5
130.06499	0.8
131.70825	0.6
132.10220	8.0
137.02390	3.6
137.03285	0.5
143.11809	68.6
153.01878	2.7
157.13377	22.9
163.03932	0.7
167.32634	0.6
171.11310	30.4
185.12897	9.5
201.05638	1.1
203.13933	2.9
229.05034	1.1
231.17047	3.6
239.11903	1.6
257.04483	0.9
267.11301	3.6
267.43015	0.6
285.12408	3.1
285.95367	0.7
302.04410	0.9
302.07669	0.9
303.05017	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	302.2075
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
56.05050	0.7
60.57574	0.4
65.03948	0.6
69.07072	4.5
69.84344	1.0
69.84756	0.7
70.06595	1.3
72.08157	1.4
75.05609	8.3
79.05518	0.4
81.03458	0.5
81.07053	2.1
84.08153	1.2
85.02908	0.6
86.09710	100.0
87.10029	0.4
97.02874	0.4
98.97606	0.5
99.08113	1.3
110.07199	0.4
111.00809	0.4
115.03783	0.4
120.08100	0.4
121.02885	0.4
127.03902	0.5
129.10252	0.9
132.08096	0.5
132.10217	11.2
137.02313	2.1
143.11804	51.7
145.92061	0.3
153.01897	2.6
163.03868	0.5
165.01884	0.4
169.23891	0.4
171.11299	16.9
189.10629	0.5
189.12344	6.5
201.05521	0.4
228.04152	0.6
229.04924	1.6
245.18597	0.5
246.05038	0.5
257.04462	1.0
274.04822	0.6
285.03931	0.4
287.05060	0.7
302.04169	1.5
302.07404	1.0
302.20020	1.2
303.05002	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	302.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01856	2.5
57.03421	3.7
61.02909	3.1
65.03937	1.8
67.05178	2.2
67.05510	29.3
69.03435	18.8
69.07075	46.8
70.06599	1.9
70.73479	2.4
70.73800	1.5
72.08150	1.3
73.02944	2.5
81.03439	9.1
84.04503	1.4
84.08139	2.5
85.02914	60.9
86.02440	1.6
86.09707	4.2
95.04980	41.6
97.02901	38.9
99.04433	1.8
103.03941	4.7
109.02876	10.3
112.07617	30.6
113.06012	3.1
124.07582	2.3
127.03939	11.6
129.10170	1.2
136.07625	1.8
140.07079	100.0
145.04968	2.3
154.08597	4.5
174.88026	1.2
178.08675	2.8
182.08145	61.9
206.08153	13.9
218.08038	1.4
236.09172	2.6
248.09213	7.3
302.12354	2.4
303.04938	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
58.89538	0.3
67.05496	0.4
68.99801	0.4
69.07068	2.4
70.06593	1.7
72.08148	1.5
74.06052	0.4
75.05601	1.1
79.05495	0.6
81.07059	1.8
83.34117	0.3
84.04512	0.4
84.08145	1.3
85.02901	0.8
86.09708	100.0
87.10037	0.7
87.56748	0.3
91.05558	0.3
93.07043	0.3
95.04956	0.4
97.02914	0.3
98.20766	0.5
99.08119	1.1
99.47327	0.3
105.07001	0.4
109.02906	0.5
109.48508	0.3
110.07157	0.5
111.00774	0.4
113.04276	0.3
114.04590	0.4
116.07076	0.4
121.02840	0.5
129.10226	0.6
132.08083	0.5
132.09198	0.6
132.10207	12.1
137.02342	1.4
143.11800	12.9
148.57504	0.3
153.01813	2.8
159.09113	0.5
163.03975	0.6
165.01878	0.7
170.06071	0.3
171.09825	0.7
171.11293	13.0
175.55038	0.3
183.04399	0.4
189.12354	12.7
201.05484	0.6
229.04887	1.8
245.04407	0.4
247.06100	0.5
257.04507	1.1
257.18677	0.4
273.03964	0.4
274.04758	0.7
285.03876	0.4
287.05112	0.7
302.04160	1.9
302.07510	1.2
302.20248	2.2
303.04999	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	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03967	2.1
55.01864	2.3
55.05502	6.1
56.96555	2.0
57.03443	5.2
57.07046	1.8
58.99570	2.8
61.01149	4.5
67.05499	15.4
69.07058	8.8
70.06591	3.6
71.04981	4.0
72.08162	3.3
73.01130	9.1
79.05490	14.7
81.07059	27.2
83.04996	2.3
83.08606	4.5
84.08118	3.7
86.09719	4.3
89.00634	3.5
91.05500	16.3
93.07045	38.1
95.04982	5.1
95.08057	3.8
95.08612	42.9
97.06516	5.4
99.02676	4.3
101.04220	5.3
104.98325	11.5
105.07034	35.7
107.08607	21.5
109.06473	2.4
109.10142	10.4
111.04420	2.0
111.08095	3.2
112.01628	1.8
112.03416	2.5
113.04240	15.5
115.05778	2.4
117.07065	4.4
119.04943	2.5
119.08591	34.4
121.02859	3.7
121.06528	4.3
121.10145	18.1
123.08094	2.1
123.11703	2.9
127.00242	3.5
129.07021	2.9
130.04477	3.3
131.05309	2.7
131.08592	13.4
133.10136	18.6
135.08041	3.2
135.11694	5.9
137.09612	4.8
142.07680	2.3
143.08604	3.8
145.01418	5.3
145.10115	20.6
147.03003	5.4
147.11685	22.0
157.10127	6.9
159.08054	2.7
159.11676	20.4
160.12509	3.2
161.13261	14.9
163.11237	2.3
164.07094	5.2
166.12592	1.9
168.00565	22.7
171.11717	4.3
173.13292	7.9
181.06424	2.7
184.04961	2.2
185.13246	4.0
186.01627	14.6
187.14833	9.3
189.16371	4.7
196.04259	10.9
199.14905	4.2
201.16385	8.4
202.17146	3.4
206.11852	2.2
225.16327	2.5
227.17911	5.6
238.09032	3.6
245.04387	2.4
245.15404	2.9
255.21111	5.7
258.05249	4.0
265.19489	2.4
283.20694	6.3
286.04727	100.0
287.04935	2.7
301.07092	93.0
301.21637	59.2
301.28970	2.3
302.07251	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	302.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98102	2.8
58.06594	12.0
58.99609	6.4
61.01154	17.1
62.17154	3.0
66.55879	3.2
67.05489	4.3
69.03405	3.0
69.07053	5.8
70.06578	5.4
71.26125	4.0
71.26442	2.9
72.08119	3.0
73.01147	44.4
73.02892	2.7
75.00707	3.0
75.02715	4.0
79.05489	3.7
84.08150	7.0
85.02889	5.5
86.09692	6.1
99.02677	4.2
104.97613	5.0
104.98322	100.0
106.99850	3.6
112.86550	2.9
113.04224	4.0
138.97049	4.9
145.03183	5.4
145.86827	3.2
147.02968	12.7
153.01820	3.4
159.06671	3.0
162.05807	12.4
168.00502	5.4
181.01781	8.1
183.13896	3.1
187.01909	3.1
194.03014	3.4
196.04274	3.7
256.13998	3.7
269.32266	2.9
286.01337	2.7
286.04733	5.9
287.05045	29.1
296.51697	3.6
302.04266	5.3
302.07382	29.6
302.22870	3.7
303.04889	11.5
306.61139	3.3
316.10287	3.6
316.49704	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01839	0.7
55.05474	1.3
57.03419	0.6
58.99548	1.7
61.01108	1.7
63.14661	0.6
67.05507	2.9
69.07070	3.8
70.06551	0.9
70.79990	0.8
70.80347	1.3
71.04973	0.7
73.01151	3.8
79.05445	2.0
79.66109	0.5
80.26244	0.5
81.07069	3.2
82.19939	0.6
84.08087	1.2
86.09680	0.9
91.05448	1.4
93.07050	4.1
95.08612	4.4
97.06476	1.6
99.00756	1.2
99.02673	1.2
101.04250	3.6
104.98339	3.6
105.07014	2.9
107.08524	2.4
109.10134	1.1
110.56032	0.6
111.02643	1.2
112.01566	1.2
112.03412	1.6
113.04222	4.5
115.03704	0.6
115.05784	1.0
117.06995	0.8
118.99864	0.6
119.04917	1.2
119.08527	2.6
121.02845	3.3
121.10104	1.7
127.00230	1.4
129.03650	1.9
130.04405	1.4
131.05225	1.2
131.08527	1.8
133.10110	1.2
135.11635	0.7
140.01018	1.2
143.08472	0.9
145.01408	0.7
145.10127	2.7
146.67461	0.6
147.02922	1.2
147.11646	2.5
153.01843	0.7
157.10081	0.6
159.11633	2.4
160.05238	0.6
161.13257	1.0
164.07039	1.5
167.99202	0.8
168.00554	12.1
171.11656	0.7
171.51671	0.6
173.13206	1.1
184.09726	0.6
186.01608	9.2
201.16357	1.0
213.05394	0.6
257.04495	0.6
258.02570	1.2
258.05243	15.7
283.20554	0.8
285.03976	0.9
286.04733	84.0
287.05103	1.3
301.07086	100.0
301.15793	2.6
301.21622	5.2
302.07458	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01878	0.8
55.05508	0.9
58.06609	1.2
58.99574	2.1
61.01148	2.7
67.05500	3.7
68.02640	1.8
69.03439	0.8
69.07066	3.2
69.31271	6.8
70.06593	1.3
72.08147	1.2
73.01155	5.1
79.05509	4.2
81.03418	1.4
81.07054	3.6
82.77266	0.6
83.04984	4.1
83.08610	1.5
84.08151	1.4
85.01126	0.9
86.09726	1.6
87.02702	1.1
91.05476	3.2
93.07036	2.9
95.04980	1.8
95.08595	2.2
97.06520	1.3
98.21468	1.2
99.02667	1.5
101.04224	2.5
103.05493	0.9
104.98337	6.8
105.07022	6.8
107.01300	2.2
107.04969	6.5
107.08605	1.2
109.06533	1.3
109.10146	0.9
111.04457	9.0
112.03473	1.2
113.04267	5.0
115.03819	1.1
118.99851	1.5
119.04962	1.6
119.08590	2.2
121.02895	1.7
121.06499	2.9
121.10128	1.1
122.03645	6.4
129.03714	1.3
129.06990	0.7
129.10205	1.4
131.08588	1.2
133.06506	9.7
135.04480	1.4
135.08044	1.6
135.11679	1.1
137.00900	1.4
137.05989	2.7
145.06474	1.5
145.10127	2.0
147.02974	4.4
147.08044	1.2
149.05981	1.1
150.03128	9.0
151.07558	2.0
157.10132	1.1
159.11646	1.1
161.13222	1.0
163.07504	0.8
165.05487	100.0
168.00548	6.7
168.04198	7.2
173.13400	1.1
179.08592	2.4
182.07318	1.0
186.01595	6.3
190.77295	0.8
191.10516	0.8
197.09543	2.7
198.85805	0.8
201.16336	0.9
207.08075	2.8
210.06703	1.2
225.09074	1.9
257.11743	0.9
283.20734	0.8
286.04721	36.4
301.03638	1.4
301.07071	33.2
301.10522	1.5
301.15616	1.7
301.21622	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.6
56.96568	100.0
69.03461	0.8
70.06589	3.2
70.21367	2.1
70.98161	0.6
71.95282	2.7
72.08159	2.5
72.96047	7.0
74.97576	2.7
83.97647	2.8
84.04523	1.0
84.08141	4.5
84.96037	5.6
85.02916	1.7
86.09708	20.0
97.02909	0.8
97.99189	1.5
98.97606	2.7
101.98646	0.8
108.46820	0.5
110.07187	0.8
110.97598	1.2
115.00700	1.3
116.00277	0.8
116.07087	0.9
116.98619	1.2
119.01944	1.0
122.06019	0.7
124.00729	3.0
126.02277	6.4
127.00665	0.7
127.03926	0.8
128.98619	2.1
129.02180	0.8
129.10248	2.2
130.93260	1.2
132.10191	4.1
133.03543	0.6
134.01289	0.7
136.06207	0.7
139.02132	0.8
140.03821	9.2
140.07126	0.6
141.06479	1.4
142.01820	1.2
142.05406	7.5
144.03329	4.6
145.01711	1.1
146.99667	1.3
147.03314	0.7
152.07086	0.9
153.02292	1.6
155.01849	0.6
156.15044	0.8
158.04903	19.1
158.92792	0.8
160.06464	27.9
161.04910	1.9
162.04405	0.8
168.00528	0.9
170.04874	7.5
171.03247	3.8
176.05975	5.2
178.07526	7.2
188.05937	18.6
188.54994	0.7
189.00783	1.1
189.04347	22.1
193.00279	1.0
197.06531	1.0
198.98547	1.8
203.04117	0.6
206.07007	36.0
207.05426	13.1
207.07268	0.6
215.02351	0.6
219.01811	1.1
221.04951	0.8
224.08066	41.0
228.01955	0.6
229.08725	0.9
233.03362	0.8
242.09222	1.5
244.60039	1.3
246.03259	1.0
250.09436	0.7
253.60721	1.9
260.08041	0.7
271.13419	0.7
273.14767	0.8
274.02795	1.0
283.13263	0.8
284.11652	3.2
286.04724	5.2
291.15894	1.1
301.07065	3.0
301.11121	1.2
301.14359	21.8
302.12704	7.1
319.15402	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2899
Annotation	Sphingosine
Peak:m/z	Relative Intensity
55.05517	2.9
56.04827	0.3
56.05042	3.9
57.03431	1.1
57.07082	3.1
58.06598	2.7
60.04512	0.9
67.05510	1.9
69.07072	3.1
70.06587	1.0
71.00279	0.3
71.00610	0.6
71.04980	0.8
71.08634	1.4
73.01117	0.3
74.06084	7.8
79.05495	0.3
81.07055	2.1
82.06113	0.6
82.06583	8.2
83.08633	2.2
85.10167	0.4
86.06104	0.5
93.07074	0.4
94.06515	0.4
95.08609	2.4
96.08115	0.7
97.06505	0.3
97.10172	0.7
100.07637	1.5
104.98324	0.3
109.10160	0.7
113.04266	0.4
168.00502	0.4
186.01648	0.4
212.23708	4.0
212.68753	0.3
224.24019	0.3
242.24777	1.6
254.28476	0.5
264.26868	13.5
282.27933	16.0
286.04712	2.7
300.28986	100.0
301.07108	1.9
301.29355	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.6
55.54628	2.6
58.77039	2.5
58.99583	3.9
61.01149	23.5
62.13599	2.9
66.42298	2.6
69.07064	4.7
69.25983	29.9
73.01147	37.1
81.07078	4.7
83.08620	15.5
98.21618	6.4
99.02631	3.4
101.04239	12.1
104.98325	100.0
105.95195	3.1
108.29141	2.8
113.04238	16.3
114.05021	6.6
115.05849	2.7
118.99858	10.1
130.81433	2.8
137.00908	27.3
145.01430	3.5
147.02977	62.4
147.28891	3.0
163.02518	4.5
179.00186	3.3
286.05045	3.5
301.07010	5.6
314.17133	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	301.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06672	1.7
55.05506	2.9
58.99576	7.7
61.01157	22.7
67.05476	3.5
69.07059	6.1
70.25916	4.3
70.26314	3.3
70.99584	2.8
73.00785	2.7
73.01148	39.4
74.01923	3.4
75.02702	2.6
79.05499	5.3
81.07060	4.5
83.08636	10.4
84.40208	2.3
85.01112	2.8
86.99035	2.4
87.02697	6.0
96.92406	2.9
97.06470	2.6
98.21445	2.4
99.02677	2.8
101.04242	12.9
104.98320	100.0
110.93938	2.2
112.03413	2.4
112.31166	2.3
113.04237	20.1
114.05037	2.3
118.99874	2.2
125.02757	2.1
137.00922	26.8
145.01436	3.2
147.02977	67.1
150.74084	2.2
150.98177	2.6
161.48254	2.2
163.02477	9.6
168.00629	3.0
237.04320	8.4
286.04718	21.0
301.07153	20.2
301.15735	3.5
301.21664	4.6
306.03827	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14935	2.3
55.05512	2.9
58.99588	6.5
61.01158	21.5
63.02613	2.6
66.20557	2.6
69.07076	6.1
69.27098	28.5
70.99558	3.1
73.01154	31.0
74.01936	3.0
81.07080	3.5
82.37864	3.1
83.08625	7.4
87.02715	4.6
101.04253	10.6
101.70293	2.7
104.98329	100.0
111.02707	3.8
113.04228	19.9
116.98325	4.3
118.99880	6.0
137.00914	28.9
147.02985	75.2
286.04813	5.0
301.07297	3.7
305.89639	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03992	2.0
55.05507	4.0
58.99575	4.9
61.01159	23.5
66.15847	2.1
69.07068	2.7
69.48645	12.0
69.49062	6.3
72.52435	2.2
73.01141	35.2
74.01949	2.5
76.21681	2.7
81.07058	2.9
83.08612	8.5
87.02685	3.9
90.51462	2.3
99.02673	2.7
101.04238	6.6
104.97614	5.2
104.98319	100.0
106.92402	2.2
108.92393	2.2
113.04247	14.7
114.05004	3.6
115.05797	3.4
118.99868	7.0
137.00917	26.2
145.01378	2.6
147.01848	4.7
147.02974	64.3
153.24841	2.7
157.25534	2.4
163.02440	3.4
179.00166	5.1
204.29802	2.0
224.07426	2.4
301.06979	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57104	2.6
55.24472	2.7
58.75999	2.3
58.99572	10.5
61.01153	23.2
69.07072	4.6
71.29531	4.3
73.01151	33.9
74.01909	3.1
83.08605	7.7
87.02687	5.9
99.02667	3.5
99.85852	2.5
101.04234	8.7
101.04846	3.0
101.45050	2.2
102.90427	2.1
104.98315	100.0
110.93955	3.6
113.04227	12.6
118.99853	8.4
119.43443	2.4
136.99948	4.1
137.00900	35.4
145.01421	3.4
147.02982	73.9
163.00150	2.4
179.00101	4.9
259.82446	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	300.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
55.01864	2.6
55.05298	2.0
55.05514	22.8
58.06598	21.5
58.99582	14.0
61.01152	32.7
67.05490	3.1
69.07053	7.6
70.06586	4.8
70.07395	2.0
70.09991	8.5
70.99578	4.8
73.01140	36.2
73.02889	2.5
75.02705	2.4
76.02222	3.3
79.05486	7.4
81.07047	8.4
83.08621	24.5
85.01122	9.2
86.99034	4.1
87.02676	3.5
95.08584	2.4
95.26793	1.9
96.92410	9.8
99.02681	16.5
101.04266	3.7
104.98319	100.0
105.00127	2.5
111.02655	3.5
112.03456	7.1
113.04243	40.6
114.04985	7.1
115.05799	17.7
116.05352	5.6
116.98279	14.8
118.99041	3.8
118.99868	49.9
119.00716	2.8
122.02735	5.8
129.03697	2.5
136.06181	2.8
145.00409	2.0
145.01393	12.3
145.03177	22.7
146.02179	4.8
147.02974	6.8
153.27606	2.3
160.04207	4.3
162.05853	30.2
170.56198	2.0
173.04599	2.1
179.00151	8.6
194.03014	9.0
226.00383	2.2
286.04657	9.4
297.59677	2.0
301.06982	5.5
317.26379	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	300.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.05511	0.6
56.05023	0.9
56.96568	3.5
58.99575	1.1
60.04535	0.8
61.02918	0.6
69.03418	1.0
70.02948	0.6
70.06596	5.3
71.53963	0.4
72.08165	3.5
73.01142	0.6
73.02887	0.5
74.00677	0.7
81.03387	0.6
83.06097	0.6
84.04523	2.5
84.08154	3.3
84.96006	0.4
85.02899	2.3
86.09714	3.9
86.99081	0.6
88.03998	3.7
90.05561	0.7
91.05467	0.7
91.08015	0.4
93.07050	0.3
94.70250	0.3
95.05001	0.5
97.02879	1.3
98.97596	3.2
99.02705	0.4
99.04466	0.5
100.02199	0.4
102.05528	0.8
103.05486	1.0
105.00088	0.6
110.07188	1.7
110.97571	0.5
112.07617	1.2
112.99106	0.5
113.02342	0.5
116.07071	0.9
116.98630	1.6
117.03769	0.5
118.06511	1.6
119.01871	0.4
120.08119	1.6
121.01070	2.0
121.06518	3.7
122.03649	0.4
127.03931	0.8
128.05022	0.5
128.98631	0.8
129.10237	1.3
131.04950	1.0
133.01041	2.2
134.06017	0.5
134.99652	0.6
135.02689	0.5
136.06204	5.2
136.07263	0.5
137.05977	7.1
138.05508	1.0
138.09125	2.2
145.05019	0.5
146.03618	0.9
146.06026	1.8
146.99681	0.5
147.04413	0.8
149.00575	12.2
150.01358	3.3
150.05511	1.2
151.02115	1.1
151.07585	0.5
156.07640	0.4
156.97452	0.5
157.09764	0.7
158.99667	0.5
161.00581	6.4
161.02826	0.4
161.05986	2.7
162.05536	2.1
162.06693	0.7
163.02135	1.4
163.04207	0.6
163.07507	0.7
164.98907	0.5
165.03723	0.6
165.07883	1.0
168.05200	2.3
174.04338	0.4
176.07143	0.6
177.00800	0.4
177.07880	4.7
177.58484	0.5
178.00851	14.2
178.08669	0.8
179.01582	0.5
180.06573	0.7
181.03226	4.0
183.04884	0.5
183.11317	0.5
185.09167	0.6
187.02177	0.5
187.10786	0.5
192.08743	0.4
193.03207	100.0
194.03600	1.2
198.98547	1.0
208.07680	0.4
213.12311	0.5
218.99925	0.4
219.01788	0.7
219.07834	0.5
220.02129	0.3
224.07356	0.4
236.07458	0.4
237.09180	0.7
237.79811	0.4
246.07405	0.5
250.05290	1.2
255.11559	0.4
270.08035	1.1
277.62543	0.4
282.07953	5.6
282.13120	0.5
283.14127	0.8
286.04703	0.7
300.09259	1.9
300.14505	0.8
300.19263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25740	0.3
52.44630	0.3
53.40314	0.3
53.58054	0.4
68.05036	0.4
70.06595	100.0
70.94902	0.5
70.95229	0.7
84.04495	1.1
86.09709	2.5
99.44704	0.4
104.66054	0.4
112.07611	87.0
116.07085	0.5
118.97738	0.4
140.07072	55.9
141.07480	0.5
143.08170	1.4
144.06592	0.7
157.09738	5.5
161.09158	1.4
184.55110	0.4
232.01619	0.4
240.13469	1.5
268.12878	1.2
283.12839	0.6
286.04834	0.5
300.15576	2.1
301.06924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.5
55.05508	1.5
56.05032	1.6
57.03456	0.8
58.06602	0.9
58.99578	1.6
60.04523	1.2
61.01147	1.0
67.05512	0.7
68.05045	4.3
68.99806	0.8
69.03436	1.2
69.07063	1.9
70.06594	81.7
70.99597	0.6
71.55054	0.8
72.08157	7.6
73.01135	2.5
74.06079	0.7
80.05016	1.3
81.05800	1.3
82.06580	4.4
83.08611	1.6
84.04513	2.8
84.08150	8.8
84.83616	0.6
85.01138	8.2
85.02891	1.7
86.06113	0.7
86.09708	68.7
88.03979	0.8
91.05483	1.3
93.05775	0.9
97.01173	0.6
97.02915	1.8
97.06534	0.6
99.02666	1.0
100.02193	3.8
101.04221	1.1
101.07172	0.6
103.22737	0.6
104.98315	3.7
106.97889	3.0
110.00635	4.1
110.06078	1.3
110.07163	3.0
112.02193	45.1
112.07591	0.9
113.02476	1.0
114.03738	0.7
115.03905	0.9
116.07096	93.7
119.04955	2.6
119.99179	0.7
120.04482	2.9
120.08129	0.9
124.03980	1.3
125.00590	0.9
126.03744	3.3
127.02123	2.7
128.01695	0.7
128.07065	0.9
129.10245	5.1
130.03181	1.0
130.06598	1.4
130.08644	1.0
136.02139	1.5
136.06145	1.3
136.07632	0.8
137.05966	0.8
138.00104	1.5
138.03737	2.7
138.05482	1.5
140.01659	13.6
141.10190	3.5
142.03230	6.5
143.11845	1.5
147.02985	1.6
147.04427	2.0
149.02605	1.8
150.03796	0.7
150.05472	1.0
152.01689	3.3
154.03235	6.9
156.01143	16.8
157.07625	2.9
157.13368	27.7
160.04279	1.9
162.03831	1.0
166.03252	1.8
168.01228	3.6
168.04790	2.2
169.09727	4.0
171.11382	0.8
173.12808	0.8
179.07034	3.7
180.04796	0.9
182.02731	5.3
184.00635	12.5
185.12842	9.0
186.01758	0.7
187.10823	1.6
194.02815	2.5
203.10336	0.8
208.04359	2.2
208.23720	0.7
210.02213	25.7
210.05869	3.4
226.01697	100.0
227.02039	2.0
229.15497	1.8
236.03786	2.3
238.62679	0.8
240.03314	0.9
244.02695	1.4
245.04587	0.9
252.03271	9.6
254.04936	5.6
255.11310	1.2
264.03351	1.8
282.04358	16.6
282.07474	0.9
282.13321	0.8
286.04733	2.6
300.05392	42.3
300.13098	1.9
300.19202	2.1
301.03448	1.8
301.06894	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	299.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01867	0.8
55.05508	1.5
55.95521	0.4
56.05025	0.5
57.07077	0.6
58.99592	6.6
61.01142	1.4
62.99065	0.5
65.03939	0.7
67.05509	5.6
69.03424	0.5
69.07073	4.7
70.06600	2.8
70.80141	0.9
70.80469	0.5
72.04521	0.6
72.07797	0.6
72.08160	7.8
73.01127	2.3
73.08482	0.5
78.98554	1.3
79.05497	6.8
80.06316	0.4
81.03445	0.5
81.07063	4.0
82.06546	0.5
82.07839	1.0
83.04990	0.5
84.04510	1.0
84.08145	3.0
85.01141	2.4
85.06535	0.5
86.09703	2.1
87.02697	1.0
87.05570	0.5
89.00622	0.9
89.04263	0.4
93.07021	0.7
94.96253	2.2
95.04979	2.2
95.08591	0.9
96.05751	4.2
97.01123	0.5
97.06535	3.7
99.02686	6.4
100.07631	5.7
100.11266	1.2
101.00625	0.9
101.04244	8.1
101.07959	1.0
102.85371	0.4
104.98347	1.0
105.07070	1.0
106.85292	0.4
107.08604	0.6
109.06559	0.6
109.10129	0.8
110.07144	0.5
111.02667	1.7
112.03453	2.3
112.08870	3.9
113.04237	100.0
114.05077	4.4
115.02183	1.1
115.05866	0.5
116.07100	0.7
116.98331	1.0
121.02888	0.5
121.10138	2.0
122.10912	0.5
123.08071	0.5
124.30145	0.4
125.04208	0.5
126.97756	0.4
129.03711	54.0
129.10263	0.9
130.04507	5.6
131.05272	6.6
133.10141	0.7
136.06239	0.7
137.05864	0.6
142.99821	0.8
147.08080	0.5
153.07353	0.6
154.12309	1.0
157.13388	0.5
161.00961	0.5
163.56313	0.4
171.14903	1.2
182.15523	0.6
182.19049	1.7
183.19398	0.5
193.03537	4.5
209.03032	19.8
219.05087	0.6
227.21248	0.5
298.28592	1.9
299.05234	1.8
299.09595	1.0
299.12881	0.9
299.20209	1.6
299.28928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34389	0.7
52.83537	0.7
53.03948	0.9
54.42728	0.7
55.05511	2.2
56.05028	1.1
57.07069	0.9
58.06602	8.1
58.15482	0.7
58.99578	5.3
59.96741	1.0
60.04519	1.0
61.01167	1.1
64.18652	0.8
65.03959	0.9
67.05489	3.4
68.04999	1.0
69.03410	1.5
69.07069	4.9
69.35810	5.1
69.36233	2.3
70.03148	0.9
70.06598	13.6
71.06918	2.0
72.08154	11.5
73.01147	100.0
74.00675	1.4
76.02232	6.2
78.96783	19.4
79.05511	3.8
81.07052	2.3
82.06572	1.8
84.04517	5.1
84.08143	3.6
85.06544	1.2
86.09705	5.7
86.99069	0.9
91.05480	1.2
93.07037	1.2
95.04971	0.8
95.08638	1.0
96.05750	0.8
96.08128	1.9
97.06533	1.3
98.09725	0.7
99.02697	11.9
100.07626	9.4
100.11263	1.0
101.04232	2.6
105.07027	1.2
107.04920	2.8
107.08634	1.2
108.08110	1.6
110.07137	1.5
111.02634	1.5
111.04411	1.2
112.04031	3.8
113.04237	39.7
114.04565	0.8
116.01688	4.6
116.05323	23.5
116.07088	8.9
121.01434	26.0
129.03699	9.4
129.10248	1.3
131.05246	1.3
133.10182	1.0
136.06195	1.5
136.07518	1.6
141.11481	0.9
152.10719	2.8
162.02237	6.0
171.14970	2.0
179.04868	5.6
182.19025	2.2
202.05348	14.1
205.04939	1.3
209.03027	6.3
218.66252	1.1
219.08018	25.0
227.17775	0.9
227.21048	1.0
238.85104	0.9
251.05197	1.8
253.16399	1.2
275.97067	0.8
282.19339	1.1
298.28568	3.3
299.05823	2.1
299.09302	4.6
299.13043	1.7
299.16019	15.3
299.20120	2.5
299.28723	1.2
320.59366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52552	1.2
53.03945	1.9
55.05511	1.9
57.07081	1.8
58.99590	33.7
61.01154	7.9
62.99072	2.1
65.03944	5.8
66.83078	1.5
67.05511	15.6
68.06297	3.2
69.07072	72.8
70.07831	1.6
70.73991	3.2
70.74326	1.8
70.99567	1.9
72.00364	6.7
72.08147	2.6
72.93094	1.2
73.00769	2.5
73.01144	22.7
74.01924	3.8
75.02716	4.9
78.16815	1.2
78.96775	7.6
79.05489	7.2
81.07071	2.5
82.37979	1.2
83.04987	1.6
85.83423	1.2
87.02695	8.6
89.00626	2.8
89.04250	1.6
90.01401	4.1
92.98344	2.3
93.07051	2.0
94.97479	1.4
95.04987	4.8
96.05757	8.1
97.01112	7.0
97.06536	34.1
99.02687	14.1
101.04250	58.5
103.97502	2.4
104.98338	9.7
107.08600	1.6
110.93957	5.4
111.02676	40.3
112.02682	1.8
112.03457	40.8
113.04236	100.0
114.05043	1.5
115.02151	11.7
120.00647	8.1
127.02122	2.1
129.03708	65.2
130.04498	32.9
131.05298	13.4
133.01437	11.1
136.95509	4.2
142.99869	21.4
145.01428	2.3
161.00906	17.8
209.01273	21.6
283.97775	1.4
287.85092	1.5
299.20139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.2
55.05507	10.8
57.07066	6.2
58.99599	44.1
61.01152	26.3
67.05504	26.6
69.03440	5.8
69.07075	46.9
70.06586	7.9
70.99576	6.5
71.54639	5.9
72.08161	24.1
73.01141	45.2
75.02716	8.4
79.05496	18.9
81.07063	23.2
83.05000	6.7
83.08634	7.8
84.08157	13.4
84.31348	4.9
85.01131	6.2
86.09708	7.1
91.05499	7.5
93.07064	13.1
95.04979	9.3
95.08609	10.9
96.08225	5.1
97.06525	26.4
99.02711	18.9
100.07633	27.6
101.04261	37.4
103.97546	5.8
104.98322	41.7
105.07040	12.3
107.08601	15.5
108.84882	6.1
109.06590	8.0
109.10202	8.9
111.02655	35.4
111.04483	5.4
112.03462	23.2
113.04238	100.0
116.98302	9.1
119.08596	13.2
121.10087	9.8
127.02119	5.0
128.06232	5.4
129.03709	48.3
129.10181	5.6
130.04518	18.4
131.05276	15.1
131.08656	6.9
133.10153	9.9
136.06198	13.6
136.95549	6.2
137.06593	7.2
140.60490	5.1
142.53587	5.6
142.99881	17.0
144.00661	6.5
145.01414	11.5
153.07344	6.6
157.10170	12.0
159.11647	6.5
161.00946	20.3
169.10208	6.6
171.11771	6.4
182.19122	7.4
197.13342	8.1
209.01135	8.5
253.19617	7.9
298.28583	7.5
299.02768	5.3
299.05884	8.5
299.20078	29.7
299.23331	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	299.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34357	0.4
53.03944	1.5
55.05512	1.9
57.07074	1.2
58.82385	0.4
58.99590	7.8
61.01149	1.8
62.99075	0.7
65.03944	0.7
67.05508	7.6
69.07072	6.7
69.51083	3.2
70.06598	1.7
72.04543	0.5
72.08158	13.9
73.01131	4.4
73.08490	0.5
77.00646	0.6
78.98567	1.9
79.05495	10.7
79.05960	0.6
81.07060	10.9
81.97793	0.5
82.07838	2.3
83.08620	0.9
84.08160	1.9
85.01131	3.4
85.06549	2.7
86.09718	1.6
86.99058	0.7
87.02698	4.7
89.00600	0.9
90.01413	0.7
91.02193	0.9
91.05490	1.0
93.07047	0.9
94.89474	0.5
94.96267	2.1
95.04979	1.7
95.08598	0.7
96.05746	1.8
97.01113	0.6
97.06538	5.5
98.01904	1.2
99.02691	11.2
100.07621	10.7
101.00615	1.6
101.04247	10.0
101.07929	0.5
104.98351	1.0
107.08594	1.1
109.06526	0.5
109.10145	0.9
110.07167	0.7
111.02697	1.0
112.03439	1.9
112.08869	6.3
113.04234	100.0
114.05035	12.1
115.02156	1.1
115.05808	10.4
119.08586	0.8
121.10140	0.9
129.03711	18.2
130.04512	3.5
130.99843	0.5
131.05273	30.6
136.06210	0.7
137.05969	1.1
138.68123	0.5
139.05737	0.9
142.99843	1.5
143.04895	0.5
145.77750	0.5
151.82901	0.4
152.06328	0.5
153.07089	0.8
161.09720	0.5
163.01292	0.4
163.02457	2.5
165.07071	0.9
168.05714	0.7
171.14957	2.6
175.07568	0.5
178.07779	2.5
179.08560	5.5
181.06482	1.1
182.07309	1.4
182.19032	2.8
183.08017	0.8
183.19398	0.8
189.07025	1.6
190.07790	0.6
193.03539	6.3
194.07231	0.5
195.08076	1.1
196.08847	1.9
203.05556	0.7
203.08649	0.5
205.06525	0.6
206.07242	1.3
207.04286	0.7
207.08041	7.0
207.09813	0.7
209.03041	5.6
209.06029	1.1
209.09712	0.7
210.03761	0.6
210.06697	0.9
211.07544	2.1
211.11147	0.9
213.05537	0.7
213.09151	0.6
217.06383	1.4
218.07242	2.0
219.05077	9.5
220.05923	2.4
221.05991	3.1
221.09531	0.7
223.07542	1.5
224.08356	3.2
225.09047	0.6
227.06958	1.6
227.21317	0.7
234.06766	2.6
235.07558	15.7
236.08252	1.0
237.09138	0.8
238.06184	0.8
239.06944	1.3
239.10674	8.2
241.08635	1.6
249.08981	0.6
251.06996	1.0
252.07843	3.5
253.08524	1.7
255.06494	1.3
267.10153	15.4
269.08078	5.1
270.08853	0.7
271.09671	0.5
271.13446	1.0
284.10437	5.4
298.28464	3.2
299.04373	4.8
299.09256	3.7
299.12750	21.6
299.19965	0.8
299.28677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.76746	1.0
55.05513	2.7
57.07083	1.9
58.99590	42.7
61.01155	6.5
65.03939	4.2
67.05168	1.8
67.05509	17.9
68.06291	3.3
69.07072	100.0
70.07859	2.4
70.99593	1.1
71.00763	1.9
72.00362	11.4
73.01145	17.2
74.01917	3.7
75.02702	6.4
78.96781	8.7
79.05482	5.9
81.07071	1.6
81.84554	1.0
85.01115	1.7
85.06582	1.3
87.02694	9.9
88.03432	1.1
89.00706	1.2
89.04240	1.2
90.01411	2.8
92.98354	1.4
95.04961	5.4
96.05763	13.2
97.01119	4.2
97.06540	38.9
98.01899	1.2
99.02689	21.4
101.04253	61.4
103.55212	1.1
104.98346	5.9
110.93957	9.2
111.02682	36.7
112.03460	24.8
113.04238	66.2
114.05023	1.9
115.02157	13.8
115.05820	2.5
118.99881	1.9
120.00672	12.9
121.01451	1.0
127.02148	4.5
128.02937	2.4
129.03716	78.3
130.04500	42.5
131.05286	14.7
133.01427	16.4
142.99858	17.7
161.00919	17.4
177.03975	1.3
182.28706	0.9
209.01239	3.9
234.73613	0.9
285.02576	1.0
299.02597	1.4
312.66861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.5
58.95030	3.0
58.99585	40.0
61.01139	4.9
64.73170	3.2
67.05517	24.1
68.06295	3.3
69.07072	100.0
69.48637	27.9
69.80801	3.9
72.00360	4.4
73.01148	19.8
75.02703	4.4
78.96779	7.9
79.05499	8.3
81.07086	5.1
84.08186	3.6
87.02686	6.5
90.01408	3.7
95.04962	9.3
95.08627	6.3
96.05758	18.7
97.01100	3.4
97.06532	55.8
99.02686	20.8
101.04249	61.7
104.98332	8.2
107.08600	4.7
110.93957	10.1
111.02682	38.1
112.03455	19.4
112.36240	3.5
113.04237	58.9
115.02180	12.0
120.00642	8.6
121.10168	4.8
124.81997	3.5
127.02172	7.4
129.03720	98.0
129.49763	3.6
130.04501	47.8
131.05278	15.9
133.01436	18.5
136.95523	3.5
142.99876	16.7
161.00880	20.8
201.03664	3.3
211.24411	3.4
220.19841	3.7
283.03043	4.3
299.05792	4.2
299.09259	5.5
299.20035	4.6
299.23694	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.36820	0.4
55.33420	0.4
57.07072	0.3
57.97464	0.4
58.99589	7.2
61.01159	6.4
65.03927	0.6
67.05489	2.6
69.07078	3.9
70.99576	1.1
71.00241	0.9
73.01142	2.6
79.05490	3.5
84.08154	0.8
85.01130	1.4
85.06555	0.7
87.02683	0.8
95.04980	0.9
96.05766	1.2
96.75559	0.4
97.01131	2.8
97.06556	0.8
99.02687	4.6
101.04242	4.9
103.97732	0.4
104.98326	12.7
111.02676	19.5
112.02660	0.7
112.03461	23.1
113.04239	100.0
114.04581	0.7
115.02154	3.0
116.98284	1.6
118.07861	0.4
118.99876	2.2
121.10149	1.4
129.03706	7.6
130.04498	4.1
130.13844	0.4
133.01434	0.8
134.99338	0.7
142.99864	22.6
144.00652	9.5
145.01382	0.8
152.06587	0.8
161.00916	14.3
163.02473	0.4
176.98608	0.7
199.27292	0.4
209.01285	1.2
218.44530	0.4
235.02818	41.4
236.03169	0.4
255.29849	0.3
271.49142	0.4
299.02496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.82582	0.1
61.01152	4.7
61.97732	0.2
64.38383	0.2
69.03417	0.3
69.50783	1.4
75.02711	2.3
76.77621	0.2
94.04034	0.5
97.02892	1.7
98.21490	0.3
103.02164	0.5
119.03555	0.8
136.06192	100.0
137.04616	0.3
137.06616	0.4
145.03206	1.5
163.04248	1.5
222.03447	0.2
233.32396	0.2
234.86876	0.2
298.09668	4.0
299.10071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63692	0.3
51.92307	0.3
52.05414	0.3
54.27760	0.3
55.05506	1.1
56.05029	0.6
57.03444	0.6
57.07077	2.6
58.02971	3.7
60.04529	2.1
64.40891	0.3
67.05509	1.9
69.07078	2.1
70.06593	0.6
71.08639	1.4
71.40106	0.5
72.04523	100.0
72.08167	0.4
74.06085	0.7
79.05508	0.7
81.03435	0.8
81.07076	1.8
82.06584	0.5
83.08618	0.9
88.07639	0.5
91.05482	0.5
93.07049	0.3
95.08622	2.1
97.10188	1.0
100.07650	0.9
105.40878	0.3
109.10209	0.7
113.04278	0.6
119.08621	0.4
121.10065	0.4
136.06200	1.3
136.54469	0.3
188.18163	0.3
222.79614	0.3
234.56187	0.3
242.24812	3.6
247.54587	0.3
252.27060	0.9
257.09482	0.3
263.23828	1.5
280.26395	4.2
298.27472	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	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	11.8
69.83503	1.8
69.83915	2.9
70.95868	1.8
71.95265	3.3
82.26025	0.8
98.20795	0.8
98.97591	100.0
104.51339	0.7
112.91217	0.7
116.98628	54.8
119.01943	1.8
130.93343	1.4
134.99664	15.4
140.00157	1.0
144.23045	0.6
153.00763	1.3
172.94368	4.4
177.00972	1.8
190.95403	5.3
208.96187	2.7
214.95454	2.4
219.02104	2.6
232.96419	5.9
235.99792	1.0
250.97418	3.8
256.96445	12.1
261.03040	6.9
274.97504	91.8
292.98560	54.0
297.99057	0.9
316.00272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1084
Annotation	Aspartyltyrosine
Peak:m/z	Relative Intensity
51.20023	1.7
55.01876	1.9
55.05511	3.2
56.05030	3.5
56.96568	19.7
57.03432	2.8
60.04503	2.1
61.01139	7.6
61.02920	3.1
67.05505	2.9
68.05031	2.6
69.03416	7.9
69.07074	3.3
70.02943	7.7
70.06107	7.8
70.06600	14.2
72.08141	8.4
73.01152	9.4
73.02899	4.3
77.00645	2.4
78.96767	3.7
79.05474	2.1
80.45454	1.9
81.03414	3.7
84.04494	12.3
84.07771	1.9
84.08156	21.2
85.02930	15.5
85.04028	40.7
85.08470	2.4
86.09706	14.8
87.04494	2.8
88.03998	50.7
89.00625	10.0
91.02174	2.3
91.05452	22.5
95.04970	7.3
97.02888	7.6
98.02414	3.7
98.06046	2.3
98.97591	18.6
107.04964	27.8
109.02868	1.8
110.07153	7.5
110.97588	3.7
112.07599	5.4
116.98649	17.2
119.01884	3.7
119.04960	35.3
120.08068	2.1
121.06527	1.9
122.07101	2.1
123.04446	38.3
126.50922	1.9
127.03932	2.7
128.98613	5.4
129.10257	6.5
130.04874	2.0
130.08644	4.2
134.06032	4.9
134.95930	2.7
134.99638	11.1
135.04762	64.5
135.06767	4.6
136.06195	33.2
136.07571	100.0
137.05992	21.2
140.91000	1.9
146.06030	14.8
146.99663	3.3
147.03349	2.7
147.04424	21.9
149.01274	2.1
150.98906	2.9
151.07553	6.3
152.07103	4.2
155.04642	2.1
156.03329	29.5
156.07668	3.2
158.99641	5.1
160.07599	5.0
163.08705	4.4
164.07056	18.2
165.04141	4.0
165.05484	53.3
166.05885	3.1
166.07254	2.6
166.08641	4.2
168.01588	2.4
168.03317	5.1
173.06049	2.4
174.04385	43.7
177.00751	9.5
182.08138	58.6
186.04411	52.5
188.07124	5.9
189.00699	3.8
191.03984	2.4
191.08073	4.7
192.05417	9.4
198.05460	9.0
204.05469	53.5
206.08148	2.8
216.06624	24.6
219.01720	3.7
219.05144	2.6
227.06804	2.0
233.09311	15.8
234.07652	3.3
237.02794	3.7
237.05988	5.5
237.08687	15.5
251.07715	3.8
251.10242	34.6
261.08658	2.7
262.07108	20.1
266.99936	5.4
267.07074	4.3
274.97556	2.4
279.04053	4.6
279.10065	23.8
283.03043	4.2
297.08224	4.5
297.11029	20.1
297.14468	6.8
299.06210	18.4
309.08765	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	297.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
56.05032	1.7
58.07341	0.2
60.04533	0.4
65.03948	0.9
67.56127	0.3
69.03434	0.4
69.28371	0.2
69.60070	1.7
70.06589	1.4
72.08163	1.2
73.04771	0.4
79.05495	0.4
81.07062	0.3
84.04509	21.1
84.08152	2.8
85.02928	0.6
86.00637	0.2
86.09705	2.0
91.05479	16.4
93.07027	0.5
95.04977	4.1
95.08617	0.5
97.02897	0.3
102.05539	0.8
105.07028	0.5
107.04930	0.4
110.07188	0.7
116.39947	0.2
119.04956	16.0
120.08124	1.4
121.02857	0.6
123.08043	0.5
129.10236	1.4
130.05016	7.8
130.05956	0.6
136.05196	2.1
136.06206	1.9
136.07588	1.0
137.05974	1.7
137.07939	0.5
139.08823	0.3
147.04355	0.7
151.07553	100.0
151.30035	0.3
152.07890	0.8
156.07817	0.3
168.10202	10.0
175.61053	0.3
205.13380	0.6
208.76167	0.3
233.12868	1.0
234.11270	5.5
251.13995	1.4
265.08643	0.4
266.99838	0.4
272.21866	0.3
279.10962	0.3
279.13605	0.6
280.11826	13.0
283.03073	0.7
297.06158	0.5
297.11383	0.7
297.14459	11.8
299.06183	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	297.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79400	1.5
55.05499	3.0
56.05025	5.1
56.96331	1.8
56.96568	23.0
57.03418	4.0
60.04522	4.3
60.05650	1.4
61.01136	6.1
61.02927	3.1
62.99068	1.9
65.10468	1.2
65.29517	1.4
67.05503	2.3
69.03430	6.7
69.07058	2.3
70.02946	2.9
70.06597	13.1
71.04978	1.4
71.55046	1.4
72.08153	5.2
73.01143	12.3
73.02926	3.0
74.06091	2.3
74.97614	1.7
77.00631	1.7
77.57295	1.4
78.96787	3.8
81.03403	4.9
81.07041	1.9
84.04510	10.5
84.07697	1.7
84.08150	24.7
84.96001	1.7
85.02904	15.6
85.04025	18.9
85.08488	1.8
85.25707	1.3
86.09295	1.4
86.09721	14.4
87.05618	2.6
87.54646	1.3
88.04002	26.5
88.07625	4.2
89.00626	14.5
91.02176	4.4
91.05440	13.1
95.04955	5.8
95.08601	2.0
97.02912	9.1
98.02416	3.3
98.97591	26.2
100.03999	1.8
102.05524	1.4
107.04970	14.2
107.08584	1.4
109.02876	2.0
109.10072	1.8
110.07205	7.0
110.37946	1.4
110.97572	3.7
111.71020	1.4
112.07591	2.5
115.08681	1.7
116.07084	2.8
116.98632	17.9
118.06504	1.8
118.89907	1.3
118.98074	1.5
119.01918	4.4
119.04956	20.1
120.04438	2.2
120.08092	4.1
121.06478	1.8
123.04447	21.4
123.05354	2.4
127.03898	4.3
128.98601	4.5
129.10278	6.7
130.06494	2.5
130.08627	3.7
132.08061	1.6
134.05995	5.5
134.99683	7.6
135.00555	1.3
135.04767	100.0
136.06187	37.3
136.07565	64.4
137.03009	1.5
137.05995	15.8
137.07910	3.9
143.00148	1.6
146.06027	10.7
146.99644	5.3
147.04402	10.3
147.06255	1.5
149.06012	1.7
149.94531	1.5
150.98846	2.2
151.07538	6.4
152.07082	4.9
154.94145	2.0
156.03271	4.4
158.99655	5.2
160.07579	4.8
162.97408	2.1
163.08659	3.1
164.07080	25.3
165.04150	2.6
165.05482	31.2
166.08618	6.4
168.01422	1.9
169.07608	8.5
170.06003	2.9
172.95244	2.2
174.04382	9.8
177.00688	7.3
177.07901	3.0
178.08646	3.4
180.98428	2.8
181.00055	1.4
182.08133	36.4
182.98024	1.5
183.08414	1.8
186.04443	12.5
188.07159	2.9
188.96922	1.7
189.00705	4.8
191.04044	1.6
191.08116	2.1
192.05312	1.8
198.05463	3.6
204.05502	11.8
207.01721	3.5
208.04858	1.6
212.95639	1.8
215.02094	1.9
216.04620	1.9
216.06509	11.4
219.01898	2.0
219.04980	3.2
224.98997	2.5
230.96707	6.2
233.09439	8.4
237.02823	2.7
237.06064	6.2
237.08698	10.2
251.10233	17.2
258.57230	1.6
262.07098	9.7
262.09586	1.7
266.99921	5.6
267.07150	1.7
274.97577	3.8
279.09781	7.2
283.02991	4.0
292.98425	1.9
297.07996	7.3
297.10934	6.3
297.14505	6.0
299.06177	10.8
309.08591	1.6
315.08191	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	297.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70232	0.9
56.05033	4.8
56.96564	3.6
59.96673	0.9
60.04508	1.5
63.94434	1.7
67.05529	0.9
69.03431	1.2
69.07069	1.4
69.74137	6.1
70.06590	7.4
72.08158	6.3
73.02930	2.2
74.00669	12.7
74.06100	1.5
78.96783	100.0
81.07063	2.8
83.05048	0.9
84.04510	70.4
84.08154	11.0
85.02905	2.8
86.09719	4.0
86.61616	1.0
88.03993	1.1
91.05861	1.9
97.02969	1.0
98.97604	4.3
99.92131	1.0
102.05543	2.5
107.04963	2.7
110.06116	1.0
110.07182	5.0
116.07103	1.9
116.98637	3.9
120.01177	21.0
120.08107	3.3
122.00999	5.8
123.08064	1.3
127.03862	1.3
129.10246	5.0
130.03294	1.7
130.05017	19.4
132.05122	1.0
134.99649	2.4
136.06227	5.7
136.07593	3.3
150.98840	61.4
151.07568	2.7
152.07083	2.3
153.06635	1.0
156.07703	1.6
164.07086	1.8
168.01495	45.9
176.97064	1.5
186.02226	3.1
206.99995	2.2
207.08075	1.7
225.04362	1.3
232.02805	2.6
234.02521	5.4
235.07651	1.2
236.99312	1.9
249.05331	2.2
252.10219	2.7
254.99919	1.1
266.99976	3.4
280.03201	6.1
280.05765	1.1
283.03036	2.4
297.01523	1.2
297.05731	7.5
297.14548	2.7
299.06155	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	297.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19844	1.1
55.05503	6.4
55.37038	1.0
58.99583	6.5
65.03951	6.2
67.05510	6.7
69.07066	5.3
69.61507	7.1
70.06593	1.7
70.99580	1.2
73.01152	6.3
79.05500	2.1
81.07072	1.4
83.04990	1.3
84.08131	1.3
85.01116	6.1
85.06532	1.3
85.98040	11.0
87.02687	2.4
90.96773	2.2
95.04944	2.6
95.08633	2.1
96.05735	2.5
97.01121	14.5
97.06554	1.7
98.01896	3.5
99.02684	28.5
101.04233	2.8
104.98301	2.7
110.01880	1.5
111.02672	81.3
112.03456	100.0
113.00631	1.8
113.04253	7.9
114.01402	1.5
115.02189	1.2
115.90217	1.1
116.98363	1.6
125.00551	2.2
126.22439	1.2
127.02129	8.1
128.02948	18.2
128.98320	2.8
129.03690	5.2
130.99850	18.4
132.00650	4.3
141.99071	3.5
142.99854	40.1
144.00629	49.7
145.01405	3.6
145.03250	1.5
158.99341	8.1
160.00133	14.3
161.00911	26.7
163.02547	1.3
179.00241	3.7
189.99419	4.2
191.00182	39.0
206.99698	9.8
208.00478	9.3
209.01363	1.5
229.16449	1.5
233.01003	7.2
251.07152	1.9
268.07455	1.4
297.01041	2.6
297.07629	12.8
297.11029	1.7
299.39572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41767	1.2
55.05513	8.6
57.07050	1.2
58.99586	8.8
65.03948	8.0
66.04728	1.6
67.05513	5.8
69.07080	2.5
69.67706	7.6
70.99576	1.4
72.11197	1.3
73.01142	5.1
78.96777	1.8
79.05492	2.7
81.07085	1.8
84.00357	1.4
84.08150	1.8
85.01137	6.3
87.02696	2.3
93.07111	1.4
95.04967	5.6
96.05735	2.6
97.01125	14.0
98.01901	7.6
98.20808	2.0
99.02679	31.4
100.03479	1.8
100.11228	1.7
101.04263	3.5
102.96758	1.3
104.98338	2.0
107.08575	1.5
109.10161	1.6
110.07217	1.2
111.02674	84.9
112.03455	100.0
113.00585	2.1
113.04279	2.9
114.01369	1.9
115.02122	2.1
116.98306	3.0
117.03726	1.4
125.00579	2.3
125.04240	1.8
126.01384	3.5
127.02151	12.0
128.01964	1.8
128.02930	35.2
128.98308	3.2
129.03719	5.0
130.99861	22.4
132.00632	4.5
139.05724	1.7
140.98273	1.6
141.99063	4.7
142.99855	44.1
144.00635	44.8
145.01399	2.9
145.03148	1.4
147.02991	1.9
157.01257	1.3
158.99339	13.5
160.00133	17.5
161.00905	23.4
179.00171	4.0
189.99396	8.6
191.00189	34.6
206.99684	30.6
208.00433	10.3
274.86203	1.4
297.01010	7.7
297.11093	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05524	6.9
56.05027	2.4
57.06827	1.1
57.07079	13.7
58.02949	1.5
58.06593	1.3
60.04530	69.7
62.28934	0.9
67.05511	21.0
69.03419	1.4
69.06783	0.9
69.07078	12.2
70.06604	1.1
70.08140	2.1
70.08536	1.6
71.04996	1.2
71.08630	7.9
72.04525	14.9
73.77927	0.9
79.05504	14.6
80.24205	0.9
81.03393	1.2
81.07068	18.1
82.06580	1.9
83.04968	2.3
83.08620	7.8
84.04498	2.6
85.01129	0.9
85.10165	3.0
86.06056	4.2
91.05490	5.9
93.07054	15.3
94.06602	0.9
95.04974	3.1
95.08613	16.7
96.08131	1.3
97.06527	2.8
97.10159	3.6
105.07037	2.3
107.08601	8.2
108.08165	1.2
108.92775	1.1
109.06533	1.2
109.10175	6.1
110.06070	1.6
111.08086	4.0
117.07008	1.6
119.08598	2.1
120.08060	1.0
120.52628	0.9
121.06480	1.0
121.10149	9.0
122.09646	1.5
123.08045	1.1
123.11697	4.4
123.30105	0.9
124.99984	1.1
130.16364	1.1
131.08542	3.6
133.10143	1.4
135.08052	1.2
135.11691	4.9
138.42128	1.0
145.10133	2.7
147.11743	1.2
148.70457	1.1
149.13205	1.5
151.14842	1.0
159.11632	1.4
161.13275	0.9
184.07333	1.0
203.32463	1.0
219.21123	2.3
223.20599	1.3
229.90288	0.9
233.22629	0.9
235.20705	1.1
237.22110	6.5
243.21271	1.7
248.23677	2.0
250.25281	2.7
260.23807	4.2
261.22162	2.6
266.24802	4.2
268.26328	5.7
278.22037	2.5
278.24780	18.3
279.23120	5.6
296.25864	100.0
297.26410	1.4
297.62476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2587
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
53.03942	2.1
55.01860	0.9
55.05516	12.1
56.05035	2.6
57.03435	2.5
57.07083	9.0
58.02969	6.9
60.04530	38.6
67.05508	31.7
69.03428	1.4
69.07072	14.9
70.02953	1.6
70.61373	1.4
71.04992	10.5
71.08626	5.3
72.04521	35.0
79.05500	22.5
80.05029	1.6
81.03406	1.5
81.07060	32.0
82.06549	2.1
83.04974	3.6
83.08630	8.8
85.10175	2.4
86.06082	1.1
89.87420	1.0
91.05492	9.4
93.07053	23.7
94.32671	0.9
95.04964	2.9
95.08610	25.5
96.04465	1.1
96.08159	2.1
97.02901	0.9
97.06518	6.2
97.10177	4.6
99.04445	4.9
105.07031	6.2
107.04984	1.1
107.08598	13.3
109.06521	2.1
109.10159	11.0
111.08112	6.7
111.11688	1.2
117.07040	5.5
119.08589	6.8
120.08120	1.6
121.06498	1.4
121.08814	0.9
121.10151	21.6
123.07018	0.8
123.08053	2.6
123.11723	5.4
126.91954	0.9
127.90271	0.8
131.08563	8.6
133.06490	1.0
133.08888	1.1
133.10152	3.3
134.09673	1.6
135.08070	3.3
135.11693	11.3
137.13269	3.5
141.12674	1.1
145.10136	5.4
145.94879	0.8
147.11700	2.1
149.09634	2.8
149.13281	3.7
151.14804	1.2
152.10722	1.1
159.11716	2.8
163.14822	1.0
165.16370	1.3
173.13232	1.3
177.16454	1.2
182.19077	1.5
187.14853	2.0
205.39636	0.8
215.86569	0.8
217.19502	1.3
219.21127	4.1
232.04732	0.9
233.22647	1.6
237.22102	10.6
243.21048	6.7
250.25285	4.6
260.23828	5.3
261.22110	6.3
266.24802	3.1
268.26315	1.2
270.30380	1.0
278.21942	1.8
278.24817	24.8
279.23212	3.5
296.25858	100.0
297.26376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1904
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
50.59547	2.0
55.01859	7.1
55.05501	5.8
57.07066	3.4
67.05498	9.6
69.07059	7.9
71.04995	2.7
71.07143	5.1
79.05493	9.0
81.07069	35.7
83.05002	3.1
83.08623	3.3
91.05479	3.1
93.07024	6.0
95.05994	2.6
95.08617	10.2
103.88062	2.5
105.07056	4.3
107.08613	5.3
109.06528	14.7
109.10143	5.6
111.04454	11.8
119.08616	5.1
121.10126	5.4
123.08082	3.0
125.05936	2.4
131.08574	2.5
133.10124	6.6
135.08023	3.7
135.11691	3.3
137.05992	100.0
147.11746	4.7
149.09668	3.0
149.13298	4.0
151.07529	4.4
161.09605	5.1
163.11272	2.9
167.10751	2.1
175.11218	2.5
175.14787	2.1
203.17963	5.2
213.16367	3.0
231.17451	4.8
249.18590	9.5
255.13313	2.1
277.18079	33.7
277.21313	5.1
295.19034	6.4
295.22308	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	295.1907
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
51.35131	2.2
55.01881	8.6
55.05534	14.1
55.05773	3.9
67.05513	16.2
69.07076	5.8
71.05029	2.2
71.08637	7.1
79.05501	14.4
81.03424	5.2
81.06637	3.9
81.07066	39.3
83.04989	5.1
83.08642	6.2
91.05503	5.4
93.07054	12.3
95.04971	3.6
95.08614	15.2
105.07044	9.1
107.08625	5.9
109.06541	15.5
109.10170	5.5
111.04471	13.5
119.08594	6.8
121.10139	6.5
123.08083	2.8
123.11691	2.3
125.05996	6.4
133.06485	3.7
133.10112	6.3
135.08081	3.3
135.11676	5.1
137.05986	100.0
145.10185	3.5
147.11691	4.4
151.07639	2.9
157.10109	2.9
161.09581	2.7
161.13290	4.9
175.11208	2.9
175.14931	3.5
177.24170	2.4
179.10690	4.4
185.13263	2.5
203.18028	6.0
216.42894	2.4
219.08177	2.9
231.17499	6.7
235.11609	2.5
249.18649	11.9
277.18002	37.3
277.21616	9.2
295.18835	4.4
295.22760	6.8
301.25186	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	296.1243
Annotation	CHEBI:73427
Peak:m/z	Relative Intensity
52.49828	1.3
55.01850	1.5
55.05491	1.7
56.05025	1.7
56.96568	12.3
60.04515	3.2
69.03426	1.8
69.92067	6.6
70.02952	16.1
70.06580	4.8
72.08141	4.3
74.06082	3.5
80.01371	2.2
82.17117	1.6
84.04508	3.5
84.08152	25.3
84.96017	1.8
85.02927	3.6
85.04031	100.0
86.09714	11.9
87.05597	56.5
88.03967	2.6
91.05479	19.2
95.04995	7.3
97.02915	2.3
98.02418	10.8
98.97594	10.2
103.13787	1.5
107.04959	65.7
110.07172	2.7
110.97583	2.6
116.98611	5.2
119.01947	2.1
119.04949	43.6
121.06510	1.6
123.03565	3.0
123.04436	48.6
128.98596	1.9
129.10240	7.8
130.08618	2.7
134.06047	2.3
134.99725	2.3
136.07588	67.2
146.06029	17.0
146.99646	1.6
147.04399	17.4
147.15033	1.6
151.47493	1.5
160.07594	3.6
162.05440	2.4
163.08649	4.8
164.07066	4.4
165.05482	48.3
170.06039	5.6
173.05922	4.8
182.06602	2.3
182.08136	30.9
188.07098	10.1
191.08157	11.2
193.09776	3.3
198.05508	25.6
201.00734	1.8
205.09660	3.6
216.06570	68.6
219.07545	2.9
233.09184	11.1
237.08730	52.2
244.06032	2.4
250.11861	14.7
261.08701	13.8
262.07117	71.1
262.97305	2.1
278.11182	2.4
279.09741	24.0
296.06070	2.9
296.12616	5.6
314.16486	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	295.1653
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
51.76898	0.2
55.01862	0.4
55.05505	0.5
56.05030	0.6
63.24363	0.2
64.04029	0.2
65.03943	0.4
67.05501	0.4
69.03431	0.3
69.07066	1.7
69.29535	0.6
69.29947	1.8
70.02934	0.3
70.06593	4.2
72.08152	2.1
73.01118	0.6
74.02443	0.6
74.06060	0.2
79.05457	0.3
81.03406	0.4
82.06567	0.3
83.01347	2.5
84.04500	2.4
84.08145	12.6
85.02884	0.3
85.04038	1.3
85.08481	0.5
86.09709	12.9
87.10012	0.3
88.03994	3.5
91.05482	23.3
93.07067	0.3
94.06590	0.3
95.04977	0.7
98.20779	0.6
101.07136	0.4
101.10828	0.3
102.05509	0.6
102.76560	0.2
103.05449	0.3
107.04963	2.5
109.02878	0.5
109.06529	0.6
110.07165	0.5
114.30069	0.3
115.08766	0.3
118.06535	1.3
119.04945	17.2
120.08115	4.4
121.06513	3.2
121.08460	0.5
123.04410	1.2
123.06609	0.3
127.03900	0.3
129.09343	0.5
129.10246	6.1
130.04988	0.4
130.08623	1.3
130.10606	0.4
131.04976	0.2
132.10204	2.6
132.95844	0.4
136.07581	100.0
137.07916	0.7
146.06020	0.7
147.04388	0.9
150.07747	6.7
150.08952	0.5
151.03873	1.3
159.98676	0.3
160.07574	0.3
163.03917	0.3
166.08600	1.5
167.09085	0.3
169.04980	0.5
174.05434	0.3
174.96786	0.4
175.07433	0.3
175.08882	0.3
181.04939	0.3
182.08131	0.4
186.09232	0.4
191.64575	0.3
193.04668	0.3
195.71985	0.2
213.03922	1.5
214.61359	0.4
216.06601	0.4
235.07655	0.3
247.06052	0.4
249.16006	2.3
250.14467	0.9
251.10269	0.7
277.11844	0.5
278.10547	0.2
278.13821	1.3
295.01321	0.3
295.13239	0.3
295.16479	5.4
310.17551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1655
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
51.52063	0.3
55.01864	0.5
55.05503	0.7
56.05033	0.7
57.03435	0.5
58.38533	0.3
60.04530	1.9
61.02920	0.5
62.25100	0.3
65.03934	0.4
69.03435	1.6
69.07066	1.5
70.06596	2.0
70.31429	1.1
72.08162	1.7
73.01147	1.7
73.02908	0.7
74.02430	0.6
74.06068	0.3
81.03423	0.7
82.06565	0.5
83.08097	0.3
84.04520	1.7
84.08147	7.0
85.02907	3.5
85.08469	0.3
86.09707	13.0
87.05585	0.6
88.03983	0.4
91.05485	24.1
91.29910	0.3
93.07077	0.5
97.02896	5.5
99.04438	0.4
102.05531	0.6
103.05477	0.5
105.19849	0.3
107.04971	1.1
109.02817	0.4
109.06515	0.6
110.07134	0.7
116.07079	0.5
117.07009	0.4
118.06522	1.2
119.04951	17.7
120.08120	1.2
121.06528	3.1
127.03917	0.6
128.06210	0.8
128.07080	0.4
128.10719	0.4
129.07013	0.9
129.10246	3.9
130.08623	1.6
131.04944	0.5
131.08617	0.6
132.10182	1.9
133.06531	0.5
136.07584	100.0
137.05991	1.4
137.07980	0.3
141.06964	0.4
143.08557	0.6
145.04927	0.6
145.06506	1.1
147.04416	1.3
147.11281	1.0
149.06001	0.4
150.07793	0.7
151.07533	2.6
153.06940	0.4
157.06467	1.4
160.01759	0.3
161.05988	0.7
161.10783	0.5
163.07552	1.0
163.14139	0.3
165.09172	0.4
169.06488	0.4
171.08044	0.7
173.06006	0.8
173.12857	2.7
174.06792	0.7
175.07573	1.1
177.09117	0.5
179.07034	1.4
181.06422	0.7
181.08597	1.0
185.02704	0.3
187.07565	0.8
188.08235	0.5
189.09094	1.8
190.06230	0.3
193.08586	0.3
197.05904	0.3
199.07581	1.3
201.09048	0.4
201.12274	0.5
203.07034	0.4
203.10715	0.6
205.08681	1.3
207.06552	0.4
213.09053	0.6
215.07057	0.9
217.08661	0.9
221.08115	0.7
227.07047	0.6
231.10188	0.7
241.08705	0.4
247.09596	0.6
249.15993	1.2
250.14365	0.9
258.14444	0.4
259.09595	2.2
276.15607	0.5
277.10675	1.8
277.15646	0.3
278.13931	1.0
295.12024	1.4
295.16531	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	295.129
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
53.03942	0.4
55.05513	0.5
55.38486	0.2
56.05034	0.9
56.96574	1.5
60.04539	0.3
69.07072	0.6
69.57476	1.5
70.06605	1.8
72.08164	1.8
72.93771	0.4
74.06087	0.4
81.03391	0.3
84.04514	6.5
84.08150	6.2
85.02897	0.9
85.08478	0.5
86.09209	0.5
86.09710	6.5
87.10058	0.2
88.03970	0.4
91.05482	1.1
93.07053	2.0
95.04980	0.5
97.02917	0.3
98.21481	0.4
98.97536	0.4
101.07152	0.3
102.05554	2.6
103.05474	7.4
107.04888	0.3
109.00613	0.2
110.07158	0.4
112.08740	0.6
115.08736	0.3
116.98640	0.3
118.06514	0.3
120.08114	100.0
121.08459	0.9
121.10149	0.3
129.10251	2.9
130.05020	2.6
130.10631	0.3
131.04962	0.4
132.95831	1.9
135.06813	0.3
136.07605	0.7
143.11807	0.4
144.95833	0.7
146.08298	0.2
148.06064	9.2
150.07721	1.5
150.96884	1.0
152.07074	0.3
154.08621	0.3
157.13409	0.6
162.96962	0.6
164.71832	0.3
165.13789	0.2
166.08653	0.7
174.96884	1.2
186.96915	1.0
192.97887	0.5
198.96820	0.4
204.98003	0.4
205.09760	1.0
216.98206	0.3
227.65338	0.3
231.11301	0.7
234.99037	0.7
240.05579	0.2
249.12396	0.6
253.00174	0.5
260.09271	0.4
267.48337	0.3
277.11816	1.0
295.12909	7.0
295.15765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1291
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
56.05040	5.5
58.06591	0.5
69.03410	0.8
69.07070	1.2
70.06592	2.2
71.12162	1.0
72.08151	2.3
73.01141	2.9
74.06075	1.4
83.01357	3.2
84.04511	56.9
84.08141	2.9
85.02911	1.9
86.09708	18.7
91.05497	1.8
93.07030	0.8
95.01321	0.8
95.08615	0.7
102.05558	8.6
103.05458	2.6
107.04980	0.7
110.07176	1.2
120.08115	100.0
121.08449	1.7
123.04453	1.7
129.10234	1.1
131.04932	1.4
132.95877	1.6
136.07558	3.1
138.75400	0.6
144.95866	0.8
148.07581	0.9
149.06006	1.5
150.96899	1.2
151.03954	1.5
153.05473	0.7
165.05540	0.7
166.08653	42.5
167.08879	0.8
169.63329	0.6
174.96938	1.1
182.08160	1.7
186.09131	3.9
186.96909	1.6
198.96846	0.6
203.11938	0.7
213.04039	1.1
215.05545	0.7
231.11314	29.3
234.99060	0.8
259.10788	2.5
277.11853	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1291
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
53.03945	0.4
55.01877	0.6
55.05508	1.3
56.05041	3.2
57.03188	0.4
57.03441	5.9
58.06604	15.5
60.04533	1.9
61.01155	1.0
63.00735	0.6
67.05511	0.8
69.03437	1.2
69.07083	1.7
69.72388	2.1
70.02948	0.5
70.06597	6.6
71.04995	0.4
71.06940	0.4
72.08165	4.9
73.01147	35.4
74.01503	0.4
74.02009	0.7
74.02444	9.1
74.06080	6.5
75.00714	2.4
79.05499	0.9
81.03429	0.5
81.07063	0.7
82.06559	0.6
84.04034	0.6
84.04514	8.7
84.08151	12.7
85.02910	1.3
85.06549	0.5
85.08466	0.7
86.09713	19.3
86.10242	0.9
86.99051	0.4
87.05603	0.9
87.10022	0.9
88.03984	0.5
88.22107	0.4
91.05479	4.3
92.68352	0.3
93.07072	1.7
94.04108	0.3
94.06597	0.4
95.01344	1.3
95.04971	0.6
97.02907	0.6
97.06538	0.4
98.06037	0.4
98.21387	0.6
101.00601	0.9
101.10786	0.6
102.05544	6.9
103.05463	5.5
104.98317	1.0
105.07056	0.5
106.97887	1.3
107.04974	2.2
107.08504	0.4
109.06530	0.4
110.07175	2.1
111.02692	0.4
115.05525	0.4
116.07106	1.1
117.07058	0.4
118.99921	0.4
119.04983	2.3
120.08113	100.0
121.06552	0.9
121.08471	0.7
122.07207	0.6
123.06623	0.6
124.07609	0.7
125.06019	0.6
129.10245	9.3
130.04991	1.0
130.06546	2.3
130.08656	1.2
131.04950	3.6
132.10234	0.9
136.06442	0.7
136.07590	13.1
137.00908	2.1
141.01826	0.6
141.03702	1.4
143.11798	2.1
145.06535	0.9
146.06021	1.4
147.11380	1.2
149.05980	1.7
150.07761	12.1
150.08949	0.8
153.05534	0.8
157.03207	0.4
158.09612	1.1
159.02924	1.6
160.01932	0.4
160.11215	1.7
164.09351	1.8
165.02046	1.1
166.08656	31.1
173.06065	0.5
173.12871	2.9
174.96901	0.6
176.07089	0.8
184.09869	0.9
185.02716	2.0
194.03059	0.5
195.00983	0.5
195.08739	0.6
196.01967	1.2
197.12933	0.7
201.12456	0.5
203.11887	2.1
205.08495	0.5
207.08086	0.9
212.59000	0.4
216.12636	0.7
217.13495	0.6
221.06042	0.9
227.11847	1.5
231.11307	1.7
232.09772	1.7
235.07544	0.7
240.13551	0.4
245.12852	2.8
249.12363	23.1
251.09134	0.4
263.13950	1.4
276.15454	0.6
277.11615	0.6
295.03174	0.4
295.09802	0.6
295.12952	7.4
295.16574	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	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.54165	0.3
53.03932	0.3
57.07066	1.1
63.55758	0.3
71.08623	1.3
71.09045	0.8
72.87874	0.3
79.05480	0.8
81.07055	1.0
87.91419	0.3
88.07656	0.3
91.05479	0.5
94.04192	2.3
94.05127	0.3
95.04935	0.4
105.06959	0.3
107.04935	0.5
109.06557	0.6
122.02855	0.3
122.03656	8.0
137.05988	100.0
138.06343	0.5
139.96783	0.3
141.12746	2.7
157.21758	0.3
158.15462	1.3
170.15424	0.4
262.43402	0.3
294.20789	0.6
294.24283	0.4
310.39124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.02998	0.2
55.05516	0.3
56.05025	0.4
57.03418	0.2
57.04557	1.1
60.04533	0.3
61.01156	0.2
62.08826	0.1
69.03429	0.6
69.04531	0.2
69.07050	0.6
69.92833	0.2
70.06593	2.5
71.13074	0.4
72.08157	1.0
73.00775	0.3
73.01147	3.2
74.06076	0.5
79.05443	0.2
81.07061	0.2
82.04066	0.2
84.04514	1.3
84.07696	0.2
84.08153	3.1
85.02910	1.7
85.08458	0.2
86.09711	4.0
87.10036	0.4
88.04001	0.2
91.05485	2.3
93.07070	0.2
94.04069	2.8
96.05627	0.4
97.02888	0.6
98.66438	0.2
99.66912	0.2
102.05524	0.2
103.05481	0.4
107.04955	0.3
108.04356	0.2
109.02869	0.3
109.38617	0.2
110.07164	0.6
112.05085	0.5
116.07098	0.8
119.04947	1.9
120.08110	3.4
121.05104	0.3
121.06490	0.3
123.04393	0.3
123.06683	2.3
123.56419	0.2
127.03948	0.4
129.10257	1.7
130.05029	0.3
133.05084	0.5
135.04465	0.2
135.05415	0.4
136.07591	9.5
137.06015	0.2
139.03905	0.3
144.56232	0.2
145.04964	0.4
147.04459	0.2
148.06137	0.6
150.07761	100.0
151.08035	0.5
161.05928	0.2
163.03911	0.8
169.04997	0.3
173.05911	0.2
179.07045	0.2
181.04956	2.2
187.04027	0.5
189.05507	0.3
193.05003	0.3
205.05055	0.8
207.03094	0.2
207.06580	0.4
219.06662	0.2
229.04994	0.7
235.05914	0.5
247.06059	3.3
259.05927	0.4
265.07135	0.3
277.06955	0.4
285.78815	0.2
295.08261	0.4
295.11584	2.4
295.16589	0.7
300.26544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1816
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
51.05133	0.3
51.72312	0.2
53.03943	0.3
55.01875	0.3
55.05516	1.5
56.05040	3.7
56.96570	4.6
57.03443	0.6
60.04520	0.9
61.02934	0.3
62.71466	0.2
67.05502	1.1
68.05022	0.3
69.03437	0.8
69.07069	0.7
70.06597	4.2
71.54244	0.4
72.08160	4.9
72.93819	0.3
73.01138	0.4
73.02934	0.5
74.06099	0.5
81.03432	0.6
83.06110	1.0
84.04509	4.1
84.08150	100.0
84.96043	0.5
85.02926	1.6
85.04834	0.3
85.06553	0.6
85.08493	0.8
86.09713	6.4
86.95600	0.2
87.05608	0.3
88.04002	1.1
91.05484	0.6
97.02902	1.1
98.09688	0.3
98.16068	0.2
98.97588	2.9
99.04443	0.4
101.07137	0.4
101.10791	3.3
102.05536	0.4
103.05436	0.5
104.05317	0.3
109.02886	0.5
110.06022	0.3
110.07153	1.5
110.97575	0.8
111.09282	0.3
112.03967	0.3
112.07615	0.7
112.08746	0.3
114.09122	0.4
115.08729	0.3
116.07119	0.4
116.98636	1.7
119.01895	0.7
119.04970	0.4
120.08110	7.5
127.03911	0.8
128.98631	1.1
129.10251	15.8
130.04984	0.7
130.08641	3.2
130.10576	0.3
131.00227	0.3
132.10181	0.8
132.95850	0.8
134.99701	1.0
136.07596	1.4
137.07938	0.6
139.01877	0.3
140.03447	0.3
143.11855	0.3
146.99687	0.8
147.07623	0.3
147.11287	4.6
148.90398	0.3
150.05841	0.3
150.96805	0.3
154.08652	0.6
154.94147	0.4
162.97324	0.9
164.98979	0.3
165.00722	0.2
166.08665	1.5
166.91486	0.5
174.96915	0.6
177.00783	0.6
178.96735	0.3
180.98460	0.4
182.08150	0.3
183.08456	0.4
186.03961	0.3
186.96973	0.4
187.00237	0.7
193.00201	0.3
194.97293	0.3
196.98051	0.5
204.04703	0.3
204.98337	0.6
205.01344	0.3
205.09705	0.6
214.98918	0.4
219.01935	0.9
222.99477	0.4
223.97983	0.3
225.01634	0.4
230.13791	1.2
231.14806	0.4
234.99448	0.9
237.02943	0.4
245.03642	0.4
248.11153	0.6
248.15176	0.3
252.04799	0.4
253.00368	0.5
258.13452	1.4
260.12946	0.4
261.02872	0.3
270.05881	0.7
276.04520	0.5
276.14114	1.7
276.17148	0.7
277.12000	0.8
277.15472	5.3
288.93066	0.4
289.02777	0.5
294.05859	0.4
294.15085	0.7
294.18134	11.7
295.13013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67345	0.2
53.03923	0.2
55.05509	0.4
57.07071	0.8
66.04725	0.3
67.05502	1.2
69.07081	0.3
70.84996	0.4
71.08627	0.5
79.05524	1.0
80.05831	0.2
81.07056	2.0
82.07347	0.2
82.93336	0.2
84.80872	0.2
91.05482	0.7
93.07045	0.4
94.04195	2.4
95.04972	0.2
95.08603	0.2
97.06506	0.2
105.07063	0.2
107.04946	0.5
107.08572	0.3
109.06543	0.5
109.10191	0.2
120.08912	0.2
122.03658	6.7
123.11724	2.0
126.41384	0.2
137.05988	100.0
138.06345	0.5
141.42395	0.2
150.94803	0.2
158.15439	1.3
170.15427	1.5
171.21652	0.2
183.76584	0.2
222.08449	0.7
237.32655	0.2
238.11639	0.4
276.20465	0.5
294.21002	0.3
294.24338	0.3
297.47818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.50701	1.0
55.05515	9.9
57.07057	4.0
58.51020	1.0
65.03941	2.7
67.05510	93.0
69.07065	10.7
69.50748	1.0
71.05484	2.7
79.05499	12.9
81.07063	100.0
82.34932	1.0
83.04994	1.6
83.08605	4.9
85.06499	1.5
91.05466	4.7
91.64964	1.0
93.07048	11.6
93.24265	1.1
95.04924	1.4
95.08613	76.3
97.06503	3.4
97.10171	1.6
101.05994	1.4
105.07024	4.2
107.08582	9.3
109.10163	39.7
111.08112	1.0
117.06989	2.9
119.08579	5.1
121.10166	8.2
123.08028	2.8
123.11716	26.0
131.08571	5.3
133.10165	5.1
135.07991	1.3
135.11713	5.5
137.09634	2.8
137.13245	10.9
140.46906	1.1
145.10094	3.9
147.11766	2.3
147.56247	1.0
149.13232	3.4
151.11140	1.6
151.14801	3.2
153.05457	1.5
159.11751	2.8
161.13246	2.0
163.11179	3.5
163.14838	2.4
165.16515	1.5
173.13257	3.6
175.14780	1.2
177.12750	3.1
177.16406	2.0
181.04906	1.2
181.12312	1.1
187.14818	3.1
191.10573	2.2
191.14304	1.5
201.16492	1.5
209.11729	4.4
219.20958	1.7
221.08131	1.7
223.16866	1.2
237.11139	4.7
237.18568	1.3
243.21085	5.8
261.22195	6.5
265.24814	1.2
293.21545	2.3
293.24783	22.5
303.01913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1451
Annotation	Gln Phe
Peak:m/z	Relative Intensity
55.05529	1.0
56.05042	8.3
64.68765	0.7
69.43186	5.4
70.06599	5.3
72.08155	2.9
72.57634	0.7
74.06071	0.7
83.01328	1.3
83.06112	57.3
84.04512	66.2
84.08147	9.9
85.02921	1.5
86.09707	5.7
88.04031	0.7
91.05482	2.0
98.97575	1.0
101.07151	6.9
102.05587	0.8
103.05462	2.1
104.56548	0.8
110.07170	1.0
116.07092	1.3
120.08118	100.0
129.06624	2.0
129.10254	2.7
130.05008	1.0
131.04926	1.7
132.95842	1.2
136.07564	0.9
147.11374	0.9
149.05994	1.0
166.08655	36.7
181.01131	0.9
186.09169	5.1
214.04466	0.9
230.12856	5.8
231.11308	25.8
232.09669	1.5
259.10764	2.8
276.13458	57.8
277.08774	1.3
277.11826	23.2
277.14630	1.2
289.62933	0.7
294.14462	1.0
294.18106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03953	3.5
55.01867	4.2
55.05268	1.8
55.05517	25.6
57.03437	2.4
57.07076	4.1
58.99576	1.7
59.04993	4.7
65.03944	2.2
67.05507	26.6
69.03430	12.4
69.06721	1.8
69.07076	18.8
70.06587	4.8
71.04981	5.9
71.55953	2.0
72.08141	2.5
73.01110	3.0
79.05501	20.2
81.03436	3.5
81.07065	40.5
83.04985	15.5
83.08631	11.2
84.04484	2.0
84.08134	4.5
85.02904	3.1
85.06559	11.3
85.08453	1.4
86.09713	3.8
90.93504	1.4
91.05482	16.5
93.07047	32.5
95.04968	14.9
95.08617	29.1
97.06529	12.5
97.10182	9.4
99.08089	2.7
101.06020	2.8
101.44794	1.4
103.05481	1.5
103.50040	1.4
105.07042	21.7
107.04953	4.2
107.08595	30.7
109.06523	10.3
109.10157	17.4
111.02668	2.6
111.08112	8.7
112.03454	2.8
113.04244	6.4
113.06019	4.1
113.09648	2.1
117.07019	6.2
119.08590	21.9
120.08115	6.4
121.06499	11.3
121.10154	37.0
123.04449	20.7
123.08072	7.2
123.11723	9.8
125.06042	2.7
125.09638	24.1
127.07559	3.4
129.07083	2.1
129.10242	2.1
130.56079	1.7
131.08617	9.1
133.10146	18.4
135.08072	13.3
135.11668	7.1
137.09624	5.5
137.13316	3.5
139.11217	9.5
143.08609	2.4
145.10127	11.7
147.02777	2.2
147.11697	9.8
149.05966	2.1
149.09653	12.4
149.13258	6.8
151.11205	5.2
153.09116	10.6
157.10107	2.5
159.11728	10.2
161.09654	3.0
161.13258	5.0
163.11157	11.9
163.14906	3.3
164.61388	1.5
165.09091	3.3
165.12752	2.8
167.10716	1.8
169.10196	1.9
171.11612	2.0
173.13301	18.5
175.11267	2.9
175.14822	3.9
177.09122	3.3
177.12749	3.5
179.10628	11.1
181.12273	5.9
183.11693	1.8
185.13252	1.8
187.11217	2.8
187.14836	7.9
189.11197	3.7
189.12785	2.2
191.14326	9.0
193.12239	2.7
195.11684	1.6
197.13261	1.6
201.12721	3.4
203.05582	3.4
205.15837	3.1
215.18184	2.1
217.15936	2.5
219.13817	4.6
221.08188	1.8
229.19551	4.1
232.59027	1.5
233.05867	1.8
233.15454	3.5
239.18088	2.6
257.19031	8.6
275.20071	68.5
276.20160	1.8
293.08118	2.7
293.21133	100.0
294.21298	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	292.1294
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
51.18358	0.6
53.61715	0.6
55.01858	2.0
55.05508	1.3
56.05025	2.3
58.99564	1.0
60.04531	29.8
65.03933	0.7
67.05509	1.1
69.03436	0.9
69.07047	0.8
70.02959	4.0
70.06601	8.5
71.54837	0.8
72.08154	4.7
73.01147	0.7
74.02419	0.7
74.06071	2.3
79.05500	0.7
81.03416	1.7
83.01344	13.0
83.04962	0.7
83.06120	1.3
84.04520	4.2
84.08149	6.8
85.02900	0.9
85.04033	5.4
85.04834	1.0
86.06064	1.3
86.09707	6.3
87.05595	1.1
88.03999	3.1
91.05476	1.2
95.04978	1.8
95.06132	0.8
96.04519	1.0
97.02898	1.1
99.05563	1.0
101.02364	1.5
102.05487	0.7
103.05483	1.1
105.06580	0.6
109.02869	2.4
110.05994	0.7
110.07176	7.4
112.02166	0.6
112.08736	1.0
113.07129	1.3
114.05531	0.8
115.05038	9.7
116.07061	1.7
117.05791	1.0
117.06952	1.0
118.06547	12.4
120.08116	12.4
123.04425	5.0
126.03139	1.4
127.03915	1.3
129.10240	3.8
130.05038	0.8
130.06537	12.3
131.08168	0.8
132.08099	15.9
136.07613	1.4
141.06573	1.1
142.06564	1.3
143.07240	0.9
144.04494	0.6
144.08092	12.9
145.03171	1.7
146.06018	54.1
147.04468	1.1
151.03923	8.2
156.07785	0.9
158.06039	0.8
158.08398	2.1
159.07703	3.2
159.09183	12.1
160.07639	1.3
164.07463	0.9
167.03392	1.1
169.04988	3.5
169.07625	1.2
170.06003	6.7
175.11916	1.5
183.09230	1.5
187.08650	2.8
188.07079	100.0
189.07458	1.1
195.02960	0.7
197.04526	0.7
205.09738	44.6
211.43872	0.6
213.03931	10.4
229.09828	1.3
245.09151	1.9
246.12418	11.9
274.12128	3.8
292.12955	18.1
293.01459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31227	0.8
53.03945	1.4
54.96775	0.7
55.01873	13.9
55.05511	2.1
56.05036	1.2
58.99577	2.6
61.01138	0.9
63.55477	0.6
63.94445	0.8
65.03933	1.6
67.05511	5.9
69.03434	4.5
70.06593	3.6
70.85393	1.8
71.01346	0.7
71.04999	1.9
71.45654	0.8
72.08146	2.8
78.96779	7.0
79.05496	2.7
81.03423	6.2
81.07059	0.8
83.01344	100.0
83.04971	2.8
84.04529	4.1
84.08131	3.2
85.01112	0.9
85.02900	1.5
86.09708	3.8
86.99065	1.3
93.03395	2.4
95.01348	3.0
95.04974	9.8
97.02886	4.0
97.06497	1.0
98.25381	0.7
98.98460	0.9
101.02388	7.1
105.03419	0.9
109.01118	0.8
109.02882	12.9
110.07208	0.9
111.02704	0.9
111.04459	5.7
113.02431	0.9
120.08100	1.0
121.02860	1.8
123.00822	0.8
123.04433	27.4
123.05333	1.6
125.00581	1.0
125.02359	2.5
126.03139	5.4
127.03902	5.8
130.05013	1.3
139.03944	1.6
141.00060	0.7
149.02365	1.5
151.03908	49.4
152.04659	0.9
153.05470	1.6
155.01582	1.3
167.03423	4.6
169.04962	21.7
183.01154	3.5
189.07436	0.9
195.02946	2.3
197.04501	7.1
213.03941	62.7
214.04430	0.8
215.00104	1.0
231.15056	1.0
275.00461	1.3
275.14001	1.4
293.01505	9.4
293.14972	2.0
293.22180	2.3
302.54547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44106	2.7
69.29696	2.6
69.29973	10.6
69.30389	10.5
70.36819	2.4
98.20769	4.5
104.87299	2.3
118.51330	2.4
143.01938	2.3
149.28691	2.8
243.85388	2.4
293.03024	5.5
293.06329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.08966	4.6
53.03940	9.4
55.01861	14.6
55.05515	65.5
57.03438	7.6
57.07053	5.9
58.99575	4.6
63.83041	4.6
67.05509	67.9
69.03420	12.4
69.07073	35.3
69.99857	4.5
70.06584	6.3
71.04994	12.6
71.07057	10.4
73.01154	5.6
79.05503	87.8
81.03430	11.2
81.07062	67.0
83.04962	7.7
83.08636	31.9
85.02193	4.9
85.06557	5.9
91.05032	5.7
91.05496	52.1
93.07047	66.0
95.04983	37.1
95.08614	46.6
97.06520	11.1
97.10188	26.9
103.05492	5.2
105.07038	55.5
107.04940	12.7
107.08609	100.0
109.06528	11.9
109.10168	28.7
111.08108	11.6
113.04219	8.2
117.07033	18.4
119.08616	43.0
121.06471	7.6
121.10176	28.3
123.08074	8.3
123.11739	7.2
125.09634	26.1
129.10315	4.8
131.08566	15.6
133.10161	29.5
135.08095	7.0
135.11682	18.9
137.09647	23.1
139.61063	4.4
143.08681	6.7
143.35922	4.6
145.10130	19.2
145.92458	4.6
147.11685	19.4
149.09679	21.9
149.13190	4.4
151.11174	10.5
153.09099	7.2
157.10178	5.2
159.11691	15.8
161.09583	5.6
161.13214	11.9
163.11232	12.8
173.13269	9.4
177.12724	4.2
187.14841	5.8
189.11201	20.8
190.52179	4.6
196.42592	4.7
215.14445	8.5
219.17404	7.0
239.17990	6.6
247.20598	6.9
257.19006	17.6
273.31476	5.3
275.20068	86.9
293.21097	54.9
293.27652	5.8
294.24393	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	23.8
55.01875	20.8
55.05505	20.1
57.03432	11.0
57.07072	9.7
67.05511	66.5
69.07069	42.8
75.92794	4.3
79.05499	54.7
81.03415	53.5
81.07062	100.0
82.25542	3.9
83.04983	12.5
83.08629	9.1
91.05482	53.3
92.66899	4.2
93.07047	52.8
94.54971	3.8
95.01341	8.2
95.04974	16.5
95.08612	47.7
97.06548	26.5
99.00816	5.3
105.07037	73.1
107.04971	23.4
107.08611	28.0
109.06519	9.2
109.10157	16.1
111.08075	5.2
117.07028	16.6
119.08594	42.6
121.06499	6.0
121.10158	14.2
123.08066	15.0
123.11722	7.1
125.09664	4.5
131.08598	20.3
133.10144	46.1
135.08031	6.8
135.11696	12.8
145.06490	8.3
145.10146	21.0
147.11679	17.4
149.09602	7.9
149.13234	5.6
151.11183	4.3
157.10164	6.0
159.11673	10.5
161.13264	4.7
173.13289	8.4
177.12778	8.3
177.14238	4.1
179.14326	11.1
187.11249	7.4
191.10698	4.7
195.13806	4.6
219.17421	5.1
221.08118	4.7
237.11244	10.6
249.15593	4.0
257.18991	9.2
275.17310	6.2
275.20117	61.3
278.30194	4.3
293.21204	45.2
293.24374	7.5
311.42868	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	6.7
55.01873	8.1
55.03437	1.9
55.05517	22.5
57.03434	2.5
57.07073	5.7
65.03928	2.0
67.05511	40.8
69.03452	2.9
69.07079	25.7
71.04992	4.0
71.55257	3.3
79.05505	42.6
81.03416	8.4
81.07065	100.0
83.04993	5.0
83.08633	14.1
85.06567	2.9
91.05480	29.3
93.07050	25.8
95.04980	19.7
95.08622	28.3
95.97630	1.9
97.06573	10.6
97.07100	1.9
97.10187	4.5
99.08108	3.0
100.73293	2.0
105.07047	32.3
107.04971	10.1
107.08611	23.0
109.06528	48.8
109.10163	14.5
111.04423	2.6
111.08072	4.4
111.99620	1.9
113.04303	2.3
113.52525	1.9
117.07009	6.4
119.08604	26.2
121.06535	5.6
121.10178	12.6
123.08071	11.3
123.11728	4.5
125.09621	3.2
129.07001	4.3
131.08569	10.7
133.10161	20.6
135.08069	5.9
135.11702	8.8
137.09647	7.6
143.08592	2.5
145.06482	2.8
145.10153	19.4
147.11705	18.1
148.12129	1.9
149.09700	10.9
149.13304	5.8
151.11168	6.3
157.10165	4.9
159.11697	12.2
161.09665	2.2
161.13324	2.6
163.11191	13.8
163.14865	4.0
165.12729	5.6
173.09694	5.4
173.13300	5.2
175.11192	7.7
177.12752	3.6
179.14365	2.8
183.11656	3.0
187.14774	4.0
193.12270	4.0
197.13309	2.8
201.12737	2.6
215.14366	12.4
221.08180	3.5
229.19597	2.1
233.15482	4.5
237.11296	4.3
247.20642	4.8
257.19055	10.6
275.20084	63.5
283.50150	2.4
293.17749	3.2
293.21103	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	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03926	1.3
55.01873	2.4
55.05523	11.6
57.03439	1.6
57.07073	1.7
67.05180	1.5
67.05511	21.4
69.03419	1.3
69.07076	19.9
70.80405	2.4
71.04986	2.9
73.06537	1.2
74.89948	1.1
76.81812	1.1
79.05498	18.5
81.07061	26.3
83.04984	5.3
83.08625	4.8
85.06536	1.8
91.05489	17.9
93.07055	20.9
95.04974	6.2
95.08615	16.1
97.06517	3.1
97.10142	2.4
105.07040	22.8
107.04977	5.2
107.08607	14.6
109.06517	9.0
109.10154	9.4
117.07007	6.5
119.08594	12.3
121.06496	7.4
121.10145	8.1
123.08077	4.1
123.11713	2.3
125.09611	1.9
129.06972	3.0
131.08566	11.9
133.06516	2.9
133.10146	18.2
135.08075	4.2
135.11693	4.7
137.09630	2.1
139.84212	1.0
141.07021	1.6
143.08569	2.5
145.06459	1.2
145.10129	11.3
147.08061	3.3
147.11700	11.3
148.02600	1.0
149.09637	4.7
149.13275	2.3
151.11198	7.0
155.08556	2.1
157.10123	2.6
159.08017	2.4
159.11719	4.2
161.09656	3.4
161.13324	2.2
161.83174	1.1
163.11212	4.7
165.12730	1.4
167.23575	1.1
169.10065	1.6
171.11707	2.1
173.09746	1.1
173.13281	3.2
175.11168	2.4
177.12732	2.7
183.11600	1.8
187.11243	2.0
189.12770	1.1
191.14403	3.4
197.13351	1.5
201.12772	3.8
207.13914	2.3
215.17934	1.6
219.13881	4.4
229.19510	2.9
233.15434	1.4
236.86813	1.1
239.17950	3.5
246.94221	1.1
247.20607	3.4
257.19083	12.8
275.20087	100.0
293.21130	30.1
298.63449	1.2
END